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Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


1

Ditertiary butyl peroxide recovery  

SciTech Connect (OSTI)

A process is described wherein a feed material comprising significant amounts of tertiary butyl hydroperoxide and tertiary butyl alcohol and minor amounts of ditertiary butyl peroxide and other impurities is charged to a reactor together with propylene and a soluble epoxidation catalyst. At least a portion of the tertiary butyl hydroperoxide is reacted in the reactor with the propylene to form a reaction product composed of unreacted feed components, propylene oxide, an additional quantity of tertiary butyl alcohol, and impurities, including a minor amount of ditertiary butyl peroxide. The improvement for recovering substantially pure ditertiary butyl peroxide from the reaction product after the reaction product is discharged from the reactor comprises the steps of: charging the reaction product to a first distillation zone and separating therein a first unreacted propylene distillate recycle fraction, charging the remaining heavier components of the reaction product from the first distillation zone to a second distillation zone and separating a second propylene oxide distillate product fraction therein charging the heavier components from the second distillation zone to a third distillation zone and separating a third distillate fraction comprising a major amount of tertiary butyl alcohol and a minor amount of ditertiary butyl peroxide, and recovering the second propylene oxide distillate fraction, the heavier tertiary butyl alcohol product fraction and the ditertiary butyl peroxide raffinate fraction.

Sanderson, J.R.; Meyer, R.A.; Smith, W.A.; Marquis, E.T.

1989-03-07T23:59:59.000Z

2

Photo-Arbuzov rearrangements of benzyl phosphites  

Science Journals Connector (OSTI)

Photo-Arbuzov rearrangements of benzyl phosphites ... Effect of Amino Substituents on the Stereochemical Outcome of the Photo-Arbuzov Rearrangements of 1-Arylethyl Phosphorodiamidites ... Effect of Amino Substituents on the Stereochemical Outcome of the Photo-Arbuzov Rearrangements of 1-Arylethyl Phosphorodiamidites ...

Jan. Omelanzcuk; Alan E. Sopchik; Sueg Geun. Lee; Kunihiko. Akutagawa; S. Matthew. Cairns; Wesley G. Bentrude

1988-09-01T23:59:59.000Z

3

Use of superconductor type catalysts in the preparation of tertiary butyl alcohol from tertiary butyl hydroperoxide  

SciTech Connect (OSTI)

In a method wherein a solution of a tertiary butyl hydroperoxide charge stock in tertiary butyl alcohol is brought into contact with a catalytically effective amount of a hydroperoxide decomposition catalyst in a hydroperoxide decomposition reaction zone in liquid phase with agitation to convert said tertiary butyl hydroperoxide to decomposition products, principally tertiary butyl alcohol, the improvement is described which comprises: (a) using a superconductor as said hydroperoxide decomposition catalyst, and (b) recovering tertiary butyl alcohol from the products of said hydroperoxide decomposition reaction.

Sanderson, J.R.; Stockton, M.E.

1993-08-17T23:59:59.000Z

4

Chemistry of the Annonaceae, Part 18. Benzylated Indoles and Dihydrochalcones in Uvaria angolensis from Tanzania  

Science Journals Connector (OSTI)

Chemistry of the Annonaceae, Part 18. Benzylated Indoles and Dihydrochalcones in Uvaria angolensis from Tanzania ...

Ilias Muhammad; Peter G. Waterman

1985-07-01T23:59:59.000Z

5

Accelerated aging of EPDM and butyl elastomers  

SciTech Connect (OSTI)

This study was composed of three parts: a post cure study to optimize final properties of an ethylene-propylene-diene (EPDM) formulation, an accelerated aging study to compare the stress relaxation behavior of a butyl and an EPDM elastomer under compression, and a cursory evaluation of a new 70 Shore A EPDM. The optimum postcure for the EPDM was found to be 2 to 4 hours at 182{degrees}C in a vacuum. The EPDM was also shown to have superior aging characteristics compared to the butyl and is recommended for use instead of the butyl material. The physical properties for new 70 Shore A EPDM are satisfactory, and the stress relaxation behavior was only slightly inferior to the other EPDM.

Wilson, M.H.

1996-06-01T23:59:59.000Z

6

Catalytic distillation for the synthesis of tertiary butyl alcohol.  

E-Print Network [OSTI]

??Catalytic Distillation for the synthesis of tertiary butyl alcohol (TBA) is investigated in this thesis. The solvent, ethylene glycol, is proposed as a means of… (more)

Safinski, Tomasz

2005-01-01T23:59:59.000Z

7

Calculations on the electronic spectra of anilino, phenoxyl and benzyl radicals  

Science Journals Connector (OSTI)

The electronic spectra of benzyl, anilino and phenoxyl have ... with experiment in all instances. However, the calculations still cannot explain the red shift produced...

Prof. Dr. A. Hinchliffe; R. E. Stainbank; M. A. Ali

1966-01-01T23:59:59.000Z

8

E-Print Network 3.0 - ammoniated glycyrrhizin butylated Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

ammoniated glycyrrhizin butylated Search Powered by Explorit Topic List Advanced Search Sample search results for: ammoniated glycyrrhizin butylated Page: << < 1 2 3 4 5 > >> 1...

9

E-Print Network 3.0 - alkynyl-substituted 6-benzyl group Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Kinases with Summary: by Shokat et al. using rational engineering for N6 -benzyl ATP uptake.6,10 FIGURE 4 Groups of ATP... 6 -norbornyl ATP. Group B consisted of ITP, N6...

10

Control Study of Ethyl tert-Butyl Ether Reactive Distillation Muhammad A. Al-Arfaj  

E-Print Network [OSTI]

-butyl ether (ETBE) for gasoline blending as a replacement for methyl tert-butyl ether (MTBE) because and be blended with ETBE in the gasoline pool. Even for neat operation, if the conversion is low, the unconverted

Al-Arfaj, Muhammad A.

11

Radiation Stability of Benzyl Tributyl Ammonium Chloride towards Technetium-99 Extraction - 13016  

SciTech Connect (OSTI)

A closed nuclear fuel cycle combining new separation technologies along with generation III and generation IV reactors is a promising way to achieve a sustainable energy supply. But it is important to keep in mind that future recycling processes of used nuclear fuel (UNF) must minimize wastes, improve partitioning processes, and integrate waste considerations into processes. New separation processes are being developed worldwide to complement the actual industrialized PUREX process which selectively separates U(VI) and Pu(IV) from the raffinate. As an example, the UREX process has been developed in the United States to co-extract hexavalent uranium (U) and hepta-valent technetium (Tc) by tri-n-butyl phosphate (TBP). Tc-99 is recognized to be one of the most abundant, long-lived radio-toxic isotopes in UNF (half-life, t{sub 1/2} = 2.13 x 10{sup 5} years), and as such, is targeted in UNF separation strategies for isolation and encapsulation in solid waste-forms for final disposal in a nuclear waste repository. Immobilization of Tc-99 by a durable solid waste-form is a challenge, and its fate in new advanced technology processes is of importance. It is essential to be able to quantify and locate 1) its occurrence in any new developed flowsheets, 2) its chemical form in the individual phases of a process, 3) its potential quantitative transfer in any waste streams, and consequently, 4) its quantitative separation for either potential transmutation to Ru-100 or isolation and encapsulation in solid waste-forms for ultimate disposal. In addition, as a result of an U(VI)-Tc(VII) co-extraction in a UREX-based process, Tc(VII) could be found in low level waste (LLW) streams. There is a need for the development of new extraction systems that would selectively extract Tc-99 from LLW streams and concentrate it for feed into high level waste (HLW) for either Tc-99 immobilization in metallic waste-forms (Tc-Zr alloys), and/or borosilicate-based waste glass. Studies have been launched to investigate the suitability of new macro-compounds such as crown-ethers, aza-crown ethers, quaternary ammonium salts, and resorcin-arenes for the selective extraction of Tc-99 from nitric acid solutions. The selectivity of the ligand is important in evaluating potential separation processes and also the radiation stability of the molecule is essential for minimization of waste and radiolysis products. In this paper, we are reporting the extraction of TcO{sub 4}{sup -} by benzyl tributyl ammonium chloride (BTBA). Experimental efforts were focused on determining the best extraction conditions by varying the ligand's matrix conditions and concentration, as well as varying the organic phase composition (i.e. diluent variation). Furthermore, the ligand has been investigated for radiation stability. The ?-irradiation was performed on the neat organic phases containing the ligand at different absorbed doses to a maximum of 200 kGy using an external Co-60 source. Post-irradiation solvent extraction measurements will be discussed. (authors)

Paviet-Hartmann, Patricia; Horkley, Jared; Campbell, Keri [Idaho National Laboratory, 2525 Fremont Street, Idaho Falls, ID 83402 (United States)] [Idaho National Laboratory, 2525 Fremont Street, Idaho Falls, ID 83402 (United States); Roman, Audrey [University of Nevada - Las Vegas, Harry Reid Center, 4505 S. Maryland Pkwy, Box 4009, Las Vegas, NV 89154-4009 (United States)] [University of Nevada - Las Vegas, Harry Reid Center, 4505 S. Maryland Pkwy, Box 4009, Las Vegas, NV 89154-4009 (United States); Nunez, Ana; Espartero, Amparo [CIEMAT, Avda Complutense, 40, 28040- Madrid (Spain)] [CIEMAT, Avda Complutense, 40, 28040- Madrid (Spain)

2013-07-01T23:59:59.000Z

12

Catalyst system and process for benzyl ether fragmentation and coal liquefaction  

DOE Patents [OSTI]

Dibenzyl ether can be readily cleaved to form primarily benzaldehyde and toluene as products, along with minor amounts of bibenzyl and benzyl benzoate, in the presence of a catalyst system comprising a Group 6 metal, preferably molybdenum, a salt, and an organic halide. Although useful synthetically for the cleavage of benzyl ethers, this cleavage also represents a key model reaction for the liquefaction of coal; thus this catalyst system and process should be useful in coal liquefaction with the advantage of operating at significantly lower temperatures and pressures.

Zoeller, Joseph Robert (Kingsport, TN)

1998-04-28T23:59:59.000Z

13

Csp3–Csp3 Homocoupling Reaction of Benzyl Halides Catalyzed by Rhodium  

Science Journals Connector (OSTI)

A highly reactive alkylrhodium complex was formed from Me2Zn and RhCl(PPh3)3 and effectively catalyzed a Csp3–Csp3 homocoupling reaction of benzyl halides. A Csp3–Csp3 coupling reaction using Rh catalyst has not been reported up to now. The reaction ...

Kazuyuki Sato; Yuichi Inoue; Tomohisa Mori; Atsushi Sakaue; Atsushi Tarui; Masaaki Omote; Itsumaro Kumadaki; Akira Ando

2014-06-30T23:59:59.000Z

14

Densities and isobaric vapor-liquid equilibria for the mixtures formed by four butyl esters and 1-butanol  

SciTech Connect (OSTI)

Densities of 298.15 K and the vapor-liquid equilibria for 1-butanol + butyl methanoate, + butyl ethanoate, + butyl propanoate, and + butyl butanoate have been measured at 101.32 kPa in small capacity ebulliometer. All results were found to be thermodynamically consistent with a point-to-point test. The mixtures containing butyl methanoate and butyl ethanoate show azeotropes at T = 379.14 K, x = 0.871 and T = 389.64 K, x = 0.222, respectively. Different group-contribution methods were applied to these mixtures.

Gonzalez, E.; Ortega, J. [Univ. of Las Palmas de Gran Canaria (Spain)] [Univ. of Las Palmas de Gran Canaria (Spain)

1996-01-01T23:59:59.000Z

15

Shear viscosity measurements in the binary mixture butyl cellosolve-water near its upper and lower critical consolute points  

E-Print Network [OSTI]

has been measured for a two-component critical liquid system, butyl cellosolve-water, in the region to report measurements of the shear viscosity of critical binary mixture butyl cello- solve (2-n353 Shear viscosity measurements in the binary mixture butyl cellosolve-water near its upper

Boyer, Edmond

16

State Restrictions on Methyl Tertiary Butyl Ether (released in AEO2006)  

Reports and Publications (EIA)

By the end of 2005, 25 states had barred, or passed laws banning, any more than trace levels of methyl tertiary butyl ether (MTBE) in their gasoline supplies, and legislation to ban MTBE was pending in 4 others. Some state laws address only MTBE; others also address ethers such as ethyl tertiary butyl ether (ETBE) and tertiary amyl methyl ether (TAME). Annual Energy Outlook 2006 assumes that all state MTBE bans prohibit the use of all ethers for gasoline blending.

2006-01-01T23:59:59.000Z

17

Effects of simulant mixed waste on EPDM and butyl rubber  

SciTech Connect (OSTI)

The authors have developed a Chemical Compatibility Testing Program for the evaluation of plastic packaging components which may be used in transporting mixed waste forms. In this program, they have screened 10 plastic materials in four liquid mixed waste simulants. These plastics were butadiene-acrylonitrile copolymer (Nitrile) rubber, cross-linked polyethylene, epichlorohydrin rubber, ethylene-propylene (EPDM) rubber, fluorocarbons (Viton and Kel-F{trademark}), polytetrafluoro-ethylene (Teflon), high-density polyethylene, isobutylene-isoprene copolymer (Butyl) rubber, polypropylene, and styrene-butadiene (SBR) rubber. The selected simulant mixed wastes were (1) an aqueous alkaline mixture of sodium nitrate and sodium nitrite; (2) a chlorinated hydrocarbon mixture; (3) a simulant liquid scintillation fluid; and (4) a mixture of ketones. The screening testing protocol involved exposing the respective materials to approximately 3 kGy of gamma radiation followed by 14-day exposures to the waste simulants at 60 C. The rubber materials or elastomers were tested using Vapor Transport Rate measurements while the liner materials were tested using specific gravity as a metric. The authors have developed a chemical compatibility program for the evaluation of plastic packaging components which may be incorporated in packaging for transporting mixed waste forms. From the data analyses performed to date, they have identified the thermoplastic, polychlorotrifluoroethylene, as having the greatest chemical compatibility after having been exposed to gamma radiation followed by exposure to the Hanford Tank simulant mixed waste. The most striking observation from this study was the poor performance of polytetrafluoroethylene under these conditions. In the evaluation of the two elastomeric materials they have concluded that while both materials exhibit remarkable resistance to these environmental conditions, EPDM has a greater resistance to this corrosive simulant mixed waste.

Nigrey, P.J.; Dickens, T.G.

1997-11-01T23:59:59.000Z

18

IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE  

E-Print Network [OSTI]

IDENTIFYING THE USAGE PATTERNS OF METHYL TERT-BUTYL ETHER (MTBE) AND OTHER OXYGENATES IN GASOLINE USING GASOLINE SURVEYS By Michael J. Moran, Rick M. Clawges, and John S. Zogorski U.S. Geological Survey 1608 Mt. View Rapid City, SD 57702 Methyl tert-butyl ether (MTBE) is commonly added to gasoline

19

68Ga-N,N'-bis[2-Hydroxy-5-(carboxyethyl)benzyl] ethylenediamine-N,N'-diacetic acid-polyethylene glycol-single-  

E-Print Network [OSTI]

68Ga-N,N'-bis[2-Hydroxy-5-(carboxyethyl)benzyl] ethylenediamine-N,N'-diacetic acid-polyethylene-N,N'-bis[2-Hydroxy-5-(carboxyethyl)benzyl]ethylenediamine-N,N'- diacetic-polyethylene glycol-single-chain Cys,4,7,10- tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA)-polyethylene glycol (PEG)-scVEGF (64Cu-DOTA-PEG-scVEGF), 99m

Levin, Judith G.

20

.Research Module: Scheme 2. N-Benzylation of N-H Pyrazolidinones 3. 3 6. 60 Scheme 2 Procedure: N-Alkylation Using Aldehyde  

E-Print Network [OSTI]

folder. It will actually produce two NMR printouts for you. The first one will be dominated by methanol Scheme 1, add 10 mL of anhydrous methanol. · For 4-methoxy compoud 3c, add 20 mL of methanol, since the 4-Benzylation Synthesis of N-Benzyl Pyrazolidinones NH NH O R1 3a-e + H O 4 Methanol Solvent 0.05 CF3CO2H (catalyst) N N O

Jasperse, Craig P.

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Separation of methyl t-butyl ether from close boiling C[sub 5] hydrocarbons by extractive distillation  

SciTech Connect (OSTI)

A method for recovering methyl t-butyl ether from a mixture of methyl t-butyl ether and 1-pentene which comprises distilling a mixture of methyl t-butyl ether and 1-pentene in the presence of about one part of an extractive agent per part of methyl t-butyl ether -- 1-pentene mixture, recovering the 1-pentene as overhead product and obtaining the methyl t-butyl ether and the extractive agent from the still pot, wherein said extractive agent consists of one material selected from the group consisting of sulfolane, nitroethane, t-butanol, ethylene glycol diacetate, 1-methoxy-2-propanol acetate, methyl isoamyl ketone, ethylene glycol methyl ether, propylene glycol phenyl ether and diethyl malonate.

Berg, L.

1993-07-20T23:59:59.000Z

22

Palladium/Tris(tert-butyl)phosphine-Catalyzed Suzuki Cross-Couplings in the Presence of Water  

E-Print Network [OSTI]

Dipalladiumtris(dibenzylideneacetone)/tris(tert-butyl)phosphonium tetrafluoroborate/potassium fluoride dihydrate [Pd2(dba)3/[HP(t-Bu)3]BF4/KF?2?H2O] serves as a mild, robust, and user-friendly method for the efficient ...

Lou, Sha

23

Extraction of Plutonium into 30 Percent Tri-Butyl Phosphate from Nitric Acid Solution Containing Fluoride, Aluminum, and Boron  

SciTech Connect (OSTI)

This work consists of experimental batch extraction data for plutonium into 30 volume-percent tri-butyl phosphate at ambient temperature from such a solution matrix and a model of this data using complexation constants from the literature.

Kyser, E.A.

2000-01-06T23:59:59.000Z

24

Whole-Genome Analysis of Methyl tert-Butyl Ether-Degrading Beta-Proteobacterium Methylibium petroleiphilum PM1  

E-Print Network [OSTI]

Sato, and N. Kato. 2003. Propane monooxygenase and NAD + -alcohol dehydrogenase in propane metabolism by Gordonia sp.tert-butyl ether by propane-grown Mycobacterium vaccae JOB5.

2007-01-01T23:59:59.000Z

25

Aging of Weapon Seals – An Update on Butyl O-ring Issues  

SciTech Connect (OSTI)

During testing under the Enhanced Surveillance Campaign in 2001, preliminary data detected a previously unknown and potentially serious concern with recently procured butyl o-rings on several programs. All butyl o-rings molded from a proprietary formulation throughout the period circa 1999 through 2001 had less than a full cure. Engineering judgment was that under curing is detrimental and could possibly lead to sub-optimum performance or, in the worst case, premature seal failure. An aging study was undertaken to ensure that suspect o-rings installed in the stockpile will retain sufficient sealing force for a minimum ten-year service life. A new prediction model developed for this study indicates suspect o-rings do not need to be replaced before the ten-year service life. Long-term testing results are reported on a yearly basis to validate the prediction model. This report documents the aging results for the period September 2002 to January 2011.

Wilson, Mark H.

2011-07-13T23:59:59.000Z

26

Dynamic Simulation of Startup in Ethyl tert-Butyl Ether Reactive Distillation with Input Multiplicity  

Science Journals Connector (OSTI)

Dynamic Simulation of Startup in Ethyl tert-Butyl Ether Reactive Distillation with Input Multiplicity ... However, smaller internal rates inside the column that result from lower reboiler and condenser duty could increase the potential risk of flooding in the column and reduce the availability of reactants in the reactive section. ... Column simulations performed using both Pro/II and SpeedUp showed excellent agreement with previously published exptl. ...

Budi H. Bisowarno; Moses O. Tadé

2000-05-09T23:59:59.000Z

27

Reverse osmosis performance with solutions containing tri-n-butyl phosphate  

SciTech Connect (OSTI)

Tests were conducted to determine whether the reverse osmosis (RO) units at the F/H Effluent Treatment Facility (ETF) at the Savannah River could be made to process solutions containing tri-n-butyl phosphate (TBP). It was desired to test whether operation at a feed pH other than neutral would improve performance. Test results are discussed in this report and indicate that little improvement in the water flux can be expected at other pH values.

Siler, J.L.

1991-10-22T23:59:59.000Z

28

Batch polymerization of styrene initiated by n-butyl lithium in a cyclohexane solvent  

E-Print Network [OSTI]

anionic mechanism. A mathematical model is de- veloped and the predicted values are compared with their corresponding experimental values. Initiator and monomer concentrations are varied and their conversion time profiles are studied. A G&el... and Storage Vessels Purification of Monomer Purification of Solvent Polymerization Reaction Scavenger Level Analysis o f Butyl Lithium Analysis of Molecular Weight Distributions by the Use of Gel Permeation Technique 10 19 19 ZO Zl ZZ 24 25 25...

Landon, Thomas Rodman

1971-01-01T23:59:59.000Z

29

Multiple Pathways for Benzyl Alcohol Oxidation by Ru(V)?O3+ and Ru(IV)?O2+  

SciTech Connect (OSTI)

Significant rate enhancements are found for benzyl alcohol oxidation by the Ru{sup V}?O{sup 3+} form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH{sub 2})]{sup 2+} [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2?-bipyridine] compared to Ru{sup IV}?O{sup 2+} and for the Ru{sup IV}?O{sup 2+} form with added bases due to a new pathway involving concerted hydride proton transfer (HPT).

Paul, Amit; Hull, Jonathan F; Norris, Michael R; Chen, Zuofeng; Ess, Daniel H.; Concepcion, Javier J; Meyer, Thomas J.

2011-01-01T23:59:59.000Z

30

Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+  

SciTech Connect (OSTI)

Significant rate enhancements are found for benzyl alcohol oxidation by the Ru{sup V}?O{sup 3+} form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH{sub 2})]{sup 2+} [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2?-bipyridine] compared to Ru{sup IV}?O{sup 2+} and for the Ru{sup IV}?O{sup 2+} form with added bases due to a new pathway, concerted hydride proton transfer (HPT).

Paul, Amit; Hull, Jonathan F; Norris, Michael R; Chen, Zuofeng; Ess, Daniel H; Concepcion, Javier J; Meyer, Thomas J

2011-01-01T23:59:59.000Z

31

Test of Orientation/Stretch-Induced Reduction of Friction via Primitive Chain Network Simulations for Polystyrene, Polyisoprene, and Poly(n-butyl acrylate)  

Science Journals Connector (OSTI)

Test of Orientation/Stretch-Induced Reduction of Friction via Primitive Chain Network Simulations for Polystyrene, Polyisoprene, and Poly(n-butyl acrylate) ...

Yuichi Masubuchi; Yumi Matsumiya; Hiroshi Watanabe

2014-09-24T23:59:59.000Z

32

Synthesis and Evaluation of 3',5'-Di-tert-butyl-4'-hydroxyflavones as Potential Inhibitors of Low Density Lipoprotein (LDL) Oxidation  

Science Journals Connector (OSTI)

Synthesis and Evaluation of 3',5'-Di-tert-butyl-4'-hydroxyflavones as Potential Inhibitors of Low Density Lipoprotein (LDL) Oxidation ...

Guy Lewin; Yves Rolland; Sylvie Privat; Christine Breugnot; Albert Lenaers; Jean Paul Vilaine; Jean-Pierre Baltaze; Jacques Poisson

1995-12-01T23:59:59.000Z

33

Detection and Quantification of Methyl tert-Butyl Ether-Degrading Strain PM1 by Real-Time TaqMan PCR  

Science Journals Connector (OSTI)

...purification Fresh Water microbiology Geologic...Polymerase metabolism Water Pollution, Chemical...bioremediation detection ethers ground water hydrocarbons methyl tert-butyl...pollutants pollution remediation sampling water resources...

Krassimira R. Hristova; Christian M. Lutenegger; Kate M. Scow

2001-11-01T23:59:59.000Z

34

Batch polymerization of styrene and isoprene by n-butyl lithium initiator  

E-Print Network [OSTI]

-20). Analysis of products consists of determining the point at which no free lithium alkyl remains. Thus if a butyl lithium initiated polymerization were terminated with water, butane would be evolved as long as the initiator were present. The butane...? agent were evaporated under a hood. Finally the polymer. was dried in a vacuum oven at about 50'C and under a vacuum of 30 inches of gg for about 30 hours. The weight of polymer formed was determined by final weighing. 25 The monomer conversion...

Hasan, Sayeed

1970-01-01T23:59:59.000Z

35

Isobaric vapor-liquid equilibria in the system methyl propanoate + n-butyl alcohol  

SciTech Connect (OSTI)

Isobaric vapor-liquid equilibria were determined at 74.66, 101.32, and 127.99 kPa for binary mixtures containing methyl propanoate + n-butyl alcohol by using a dynamic still with vapor and liquid circulation. No azeotrope was detected. The data were found to be thermodynamically consistent according to the point to point test. Application of the group-contribution models ASOG, UNIFAC, and modified UNIFAC to the activity coefficients at the three pressures studied gives average errors of less than 10%, 11%, and 3%, respectively.

Susial, P.; Ortega, J. (Univ. de Las Palmas de Gran Canaria, Canary Islands (Spain). Lab. de Termodinamica y Fisicoquimica)

1993-10-01T23:59:59.000Z

36

A trinuclear palladium(II) complex containing N,S-coordinating 2-(benzyl­sulfanyl)anilinide and 1,3-benzo­thia­zole-2-thiol­ate ligands with a central square-planar PdN4 motif  

Science Journals Connector (OSTI)

A linear trinuclear Pd3 complex containing N,S-coordinating 2-(benzyl­sulfanyl)anilinide and 1,3-benzo­thia­zole-2-thiol­ate ligands has symmetry and a PdPd separation of 3.2012 (4) ?. All three PdII atoms have a square-planar geometry, while the central PdII core shows an all N-coordination. 1,3-Benzothiazole-2-thiolate was formed in situ from 2-(benzyl­sulfanyl)aniline.

Cross, E.D.

2013-12-14T23:59:59.000Z

37

Radiation Stability of Benzyl Tributyl Ammonium Chloride Towards Technetium-99 Extraction  

SciTech Connect (OSTI)

A closed nuclear fuel cycle combining new separation technologies along with generation III and generation IV reactors is a promising way to achieve a sustainable energy supply. But it is important to keep in mind that future recycling processes of used nuclear fuel (UNF) must minimize wastes, improve partitioning process, and integrate waste considerations into processes. New separation processes are being developed worldwide to complement the actual industrialized PUREX process which selectively separates U(VI) and Pu(IV) from the raffinate. As an example, low nitric acid concentration in the aqueous phase of a UREX based process will co-extract U(VI) and Tc(VII) by tri-n-butyl phosphate (TBP). Technetium (Tc-99) is recognized to be one of the most abundant, long-lived radiotoxic isotopes in UNF (half-life, t1/2 = 2.13 × 105 years), and as such, it is targeted in UNF separation strategies for isolation and encapsulation in solid waste forms for final disposal in a nuclear waste repository. Immobilization of Tc-99 by a durable solid waste form is a challenge, and its fate in new advanced technology processes is of importance. It is essential to be able to quantify and locate 1) its occurrence in any new developed flow sheets, 2) its chemical form in the individual phases of a process, 3) its potential quantitative transfer in any waste streams, and consequently, 4) its quantitative separation for either potential transmutation to Ru-100 or isolation and encapsulation in solid waste forms for ultimate disposal. Furthermore, as a result of an U(VI)-Tc(VII) co-extraction in a UREX-based process, Tc(VII) could be found in low level waste (LLW) streams. There is a need for the development of new extraction systems that would selectively extract Tc-99 from LLW streams and concentrate it for feed into high level waste (HLW) for either Tc-99 immobilization in metallic waste forms (Tc-Zr alloys), and/or borosilicate-based waste glass. Studies have been launched to investigate the suitability of new macrocompounds such as crown-ethers, aza-crown ethers, and resorcinarenes for the selective extraction of Tc-99 from nitric acid solutions. The selectivity of the ligand is important in evaluating potential separation processes and also the radiation stability of the molecule is essential for minimization of waste and radiolysis products. In this paper, we are reporting the extraction of TcO4- by benzyltributyl ammonium chloride (BTBA). Experimental efforts were focused on determining the best extraction conditions by varying the ligand’s matrix conditions and concentration, as well as varying the organic phase composition (i.e., diluent variation). Furthermore, the ligand has been investigated for radiation stability. The ?-irradiation was performed on the neat organic phases containing the ligand at different absorbed doses to a maximum of 200 kGy using external Co-60 source. Post-irradiation solvent extraction measurements will be discussed.

Jared Horkley; Audrey Roman; Keri Campbell; Ana Nunez; Amparo Espartero

2013-02-01T23:59:59.000Z

38

Nonlinear viscoelastic response of carbon black-filled butyl rubber and implications for o-ring aging  

SciTech Connect (OSTI)

Butyl rubber, unfortunately, has pronounced nonlinear viscoelastic behavior, which may be modelled by a separable KBKZ formalism. While these effects seem to have minimal impact on accelerated sealing force measurements, they do severely impact compression set tests. Therefore, a new test is suggested for evaluating field-return o-rings which is free from such confounding effects.

Adolf, D.

1997-11-01T23:59:59.000Z

39

Rate dependent finite deformation stressstrain behavior of an ethylene methacrylic acid copolymer and an ethylene methacrylic acid butyl  

E-Print Network [OSTI]

Rate dependent finite deformation stress­strain behavior of an ethylene methacrylic acid copolymer and an ethylene methacrylic acid butyl acrylate copolymer S. Deschanel a,*, B.P. Greviskes a , K. Bertoldi a , S dependence a b s t r a c t The large strain deformation behaviors of an ethylene methacrylic acid (EMAA

40

Liquid phase oxidation of thiophene compounds by tert-butyl hydroperoxide  

SciTech Connect (OSTI)

Oxidative instability problems in both shale and petroleum-derived middle distillate fuels are related to the presence of hydroperoxides. Although a good body of knowledge exists concerning the formation of peroxides in the liquid phase, relatively little is known about the reaction/decomposition pathways when other functional groups are present. One of the significant and undesirable problems is the formation of solid deposits which can plug nozzles and filters and coal heat exchanger surfaces. Deposit formation in fuels is triggered by autoxidation reactions and is closely associated with elemental oxygen and/or hydroperoxide concentration. This paper reports on the reaction between a primary autoxidation product, a hydroperoxide, and sulfur compounds of the type present in petroleum-derived middle distillate fuels. Specifically, we examine the t-butyl hydroperoxide oxidation of thiophene, 2, 5-dimethylthiophene, tetrahydrothiophene and benzothiophene in a deaerated model fuel, tetradecane, at 120{degree}C.

Mushrush, G.W.; Watkins, J.M. Jr.; Hazlett, R.N.; Hardy, D.R.; Eaton, H.G. (Naval Research Laboratory, Washington, DC (USA))

1987-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Fuel instability studies; Liquid phase oxidation of tetrahydrothiophene by tert-butyl hydroperoxide  

SciTech Connect (OSTI)

The reactions that lead to fuel instability are the subject of conflicting reports in the literature. Confusion results from the difficulty in relating differences in fuel composition, temperature, surface effects and dissolved oxygen content that comprise the multitude of reported studies. Model studies offer a means by chic the mechanism of an individual reaction can be related to a simple system and then extended to the more complex fuel media. This paper reports a model oxidation study of a species, t-butyl hydroperoxide under mild reaction conditions, 120{degrees}C, in a tetradecane model fuel. The major oxidation product was tetrahydrothiophene sulfoxide from the sulfide and t-butanol from the hydroperoxide. The complete suite of products is reported.

Mushrush, G.W.; Pellenbarg, R.E.; Hazlett, R.N.; Morris, R.E.; Hardy, D.R. (Fuels Section, Code 6180, Naval Research Lab., Washington, DC (US))

1991-01-01T23:59:59.000Z

42

Tests for mutagenic effects of ammoniated glycyrrhizin, butylated hydroxytoluene, and gum arabic in roden germ cells  

SciTech Connect (OSTI)

Ammoniated glycyrrhizin, butylated hydroxytoluene, and gum Arabic are generally recognized as safe (GRAS) substances that are used primarily as additives in foods. These substances were incorporated into rodent diets and fed to male rats and mice for 10 and 8 wk, respectively. The treated male mice and rats were then tested for dominant lethal effects. The mice were also tested for induced heritable translocation. Results of the rat studies indicated a statistically significant dominant lethal effect of each of the compounds tested; however, the biological significance of this response is not known. Results of the mouse dominant lethal and heritable translocation studies, on the other hand, indicated no adverse effects of the compounds tested.

Sheu, C.W.; Cain, K.T.; Rushbrook, C.J.; Jorgenson, T.A.; Generoso, W.M.

1986-01-01T23:59:59.000Z

43

Butyl rubber O-ring seals: Revision of test procedures for stockpile materials  

SciTech Connect (OSTI)

Extensive testing showed little correlation between test slab and O-ring performance. New procedures, comparable to those used with the traditional test slabs, were defined for hardness, compression set, and tensile property testing on sacrificial O-ring specimens. Changes in target performance values were made as needed and were, in one case, tightened to reflect the O-ring performance data. An additional study was carried out on O-ring and slab performance vs cure cycle and showed little sensitivity of material performance to large changes in curing time. Aging and spectra of certain materials indicated that two sets of test slabs from current vendor were accidently made from EPDM rather than butyl rubber. Random testing found no O-rings made from EPDM. As a result, and additional spectroscope test will be added to the product acceptance procedures to verify the type of rubber compound used.

Domeier, L.A.; Wagter, K.R.

1996-12-01T23:59:59.000Z

44

Initiation Temperature for Runaway Tri-n-Butyl Phosphate/Nitric Acid Reaction  

SciTech Connect (OSTI)

In a review of the safety basis for solvent extraction processes at the Department of Energy's Savannah River Site, a question was raised concerning the safety margin associated with a postulated accident involving a runaway tri-n-butyl phosphate (TBP)/nitric acid reaction due to the inadvertent heating of a tank. The safety margin was based on studies which showed the maximum temperature would not exceed 128 degrees Celsius compared to 130 degrees Celsius, the minimum initiation temperature for runaway reaction established in the 1950's following damaging incidents at the Savannah River and Hanford Sites. The reviewers were concerned the minimum temperature was not conservative since data for solutions containing 20 wt percent dissolved solids showed initiation temperatures at or below 130 degrees Celsius and process solutions normally contain some dissolved solids.

Rudisill, T.S.

2001-09-14T23:59:59.000Z

45

A thermodynamic model of nitric acid extraction by tri-n-butyl phosphate  

SciTech Connect (OSTI)

A thermodynamic model is presented for nitric acid extraction by tri-n-butyl phosphate (TBP). This model is based on the formation of the organic phase species: TBP.HNO/sub 3/ and (TBP)/sub 2/.HNO/sub 3/. The model works successfully at TBP concentrations of 5 to 100 vol% and was found to be effective at predicting the extraction of HNO/sub 3/ from HNO/sub 3//NaNO/sub 3/ and HNO/sub 3//LiNO/sub 3/ solutions. Within the TBP concentration range of 5 to 30%, a single set of extraction constants was sufficient to fit extraction data. Stoichiometric activity coefficients of nitric acid in HNO/sub 3//NaNO/sub 3/ and HNO/sub 3//LiNO/sub 3/ mixtures were calculated using a model developed by Bromley.

Chaiko, D.J.; Vandegrift, G.F.

1988-07-01T23:59:59.000Z

46

Atmospheric chemistry of diethyl ether and ethyl tert-butyl ether  

SciTech Connect (OSTI)

The mechanisms for the Cl-initiated and OH-initiated atmospheric oxidation of diethyl ether and ethyl tert-butyl ether (ETBE) have been determined. For diethyl ether the products are ethyl formate and formaldehyde and its atmospheric oxidation can be represented by C{sub 2}H{sub 5}OC{sub 2}H{sub 5} + OH + 2NO {yields} C{sub 2}H{sub 5}OC(O)H + HCHO + 2NO{sub 2} + HO{sub 2}. The mechanism for the atmospheric oxidation of ETBE is more complex, with 80% of the reaction being accounted for in terms of tert-butyl formate and formaldehyde. The remaining 20% the authors ascribe to 2-ethoxy-2-methylpropanal. The atmospheric oxidation of ETBE can be represented by ETBE + OH + 1.8NO {yields} 0.8HCOOC(CH{sub 3}){sub 3} + 0.2C{sub 2}H{sub 5}OC(CH{sub 3}){sub 2}CHO + HO{sub 2} + 0.8HCHO + 1.8NO{sub 2}. THe subsequent atmospheric chemistry of 2-ethoxy-2-methylpropanal the authors estimate to be represented by C{sub 2}H{sub 5}OC(CH{sub 3}){sub 2}CHO + OH + 3NO {yields} CO{sub 2} + H{sub 2}CO + C{sub 2}H{sub 5}OC(O)CH{sub 3} + HO{sub 2} + 3NO{sub 2}. These results are discussed in terms of the reactivity of these compounds in urban atmospheres.

Wallington, T.J.; Japar, S.M. (Ford Motor Company, Dearborn, MI (USA))

1991-03-01T23:59:59.000Z

47

Hydrolysis of cellulose to produce glucose with solid acid catalysts in 1-butyl-3-methyl-imidazolium chloride ([bmIm][Cl]) with sequential water addition  

Science Journals Connector (OSTI)

Selective glucose production by cellulose hydrolysis with initial or sequential water addition in the presence of solid acid catalysts in 1-butyl-3-methyl-imidazolium chloride ([bmIm][Cl]) under microwave irra...

Kaori Ishida; Shiho Matsuda; Masaru Watanabe…

2014-12-01T23:59:59.000Z

48

Anhydrous aluminum chloride as an alkylation catalyst: identification of mono- and dialkyl-benzenes from the condensation of tertiary butyl alcohol with benzene.  

E-Print Network [OSTI]

LIBRARY a a w c"I. I. SI - O~ TI:YAf ANHYDROUS ALUMINUM CHLORIDE AS AN ALKYLATION CATALYST: IDENTIFICATION OF MONO- AND DIALKYIZENZENES FROM THE CONDENSATION QF TERTIARY BUTYL ALCOHOL WITH BENKENE IACEY EUGENE SCOGGINS 4 A Thesis Submitted...: IDENTIFICATION OF MONO- AND DI~NZZNES FROM THE CONDENSATION OF TERTIARY BUTYL ALCOHOL WITH BENZENE A Thesis By LACEY EUGENE SCOGGINS Approved as to style and content hy: Chairman of Committee Head of Chemistry Department 1959 ACKNOWLEDGME1VTS The author...

Scoggins, Lacey E

1959-01-01T23:59:59.000Z

49

Initiation Temperature for Runaway Tri-n-Butyl Phosphate/Nitric Acid Reaction  

SciTech Connect (OSTI)

During a review of the H-Canyon authorization basis, Defense Nuclear Facility Safety Board (DNFSB) staff members questioned the margin of safety associated with a postulated tri-n-butyl phosphate (TBP)/nitric acid runaway reaction due to the inadvertent heating of a canyon tank containing greater than 3000 lbs (1362 kg) of TBP. The margin of safety was partially based on experiments and calculations performed by the Actinide Technology Section (ATS) to support deletion of indication of tank agitation as a Safety Class System. In the technical basis for deletion of this system, ATS personnel conservatively calculated the equilibrium temperature distribution of a canyon tank containing TBP and nitric acid layers which were inadvertently heated by a steam jet left on following a transfer. The maximum calculated temperature (128 degrees C) was compared to the minimum initiation temperature for a runaway reaction (greater than 130 degrees C) documented by experimental work in the mid 195 0s. In this work, the initiation temperature as a function of nitric acid concentration was measured for 0 and 20 wt percent dissolved solids. The DNFSB staff members were concerned that data for 0 wt percent dissolved solids were not conservative given the facts that data for 20 wt percent dissolved solids show initiation temperatures at or below 130 degrees C and H-Canyon solutions normally contained a small amount of dissolved solids.

Rudisill, T.S.

2000-11-28T23:59:59.000Z

50

Thorium ions transport across Tri-n-butyl phosphate-benzene based supported liquid membranes  

SciTech Connect (OSTI)

Transport of Th(IV) ions across tri-n-butyl phosphate (TBP) benzene based liquid membranes supported in microporous hydrophobic polypropylene film (MHPF) has been studied. Various parameters such as variation of nitric acid concentration in the feed, TBP concentration in the membrane, and temperature on the given metal ions transport have been investigated. The effects of nitric acid and TBP concentrations on the distribution coefficient were also studied, and the data obtained were used to determine the Th ions-TBP complex diffusion coefficient in the membrane. Permeability coefficients of Th(IV) ions were also determined as a function of the TBP and nitric acid concentrations. The optimal conditions for the transport of Th(IV) ions across the membrane are 6 mol{sm_bullet}dm{sup -3} HNO{sub 3} concentration, 2.188 mol {center_dot} dm{sup -3} TBP concentration, and 25{degrees}C. The stoichiometry of the chemical species involved in chemical reaction during the transport of Th(IV) ions has also been studied.

Rasul, G.; Chaudry, M.A. [Pakistan Institute of Nuclear Chemistry, Islamabad (Pakistan); Afzal, M. [Quaid-I-Azam Univ., Islamabad (Pakistan)

1995-12-01T23:59:59.000Z

51

Soluble, Infrared-Absorbing Croconate Dyes from 2,6-Di-tert-butyl-4-methylchalcogenopyrylium Salts  

Science Journals Connector (OSTI)

1 Although many squarylium dyes have limited solubility in organic solvents or in coated organic films, squarylium dyes 1 (Chart 1) derived from 2,6-di-tert-butyl-4-methylchalcogenopyrylium salts (2)3 are soluble and have been coated in organic thin films for a variety of applications. ... The croconates are readily prepared, are soluble in organic solvents, and have absorption maxima that cover a broad range of laser emission lines from gallium?arsenide diode lasers (?820 nm) to the neodinium-YAG laser (1064 nm). ... The reaction mixture was poured into water (50 mL), and the product was extracted with hexanes (3 × 25 mL). ...

Todd P. Simard; Jian H. Yu; Jennifer M. Zebrowski-Young; Neil F. Haley; Michael R. Detty

2000-03-03T23:59:59.000Z

52

Methyl tert-butyl ether (MTBE) is a volatile organic com-pound (VOC) derived from natural gas that is added to gas-  

E-Print Network [OSTI]

Methyl tert-butyl ether (MTBE) is a volatile organic com- pound (VOC) derived from natural gas Water in Urban and Agricultural Areas made from methanol, which is derived primarily from natural gas that is added to gas- oline either seasonally or year round in many parts of the United States to increase

53

Environmental actions of agrochemicals 2. Histological effects of the herbicide/insecticide dinoseb-acetate (2-sec-butyl-4,6-dinitrophenyl acetate) on the spider miteTetranychus urticae (Acari: Tetranychidae) reared on herbicidetreatedPhaseolus vulgaris  

Science Journals Connector (OSTI)

The pure herbicidal compound dinoseb-acetate (2-sec-butyl-4,6-dinitrophenyl acetate) and its commercial formulation Aretit® were tested for their effects on the spider miteTetranychus urticae L. (Acari, Tetranych...

Ursula Mothes-Wagner; Harald K. Reitze…

1990-10-01T23:59:59.000Z

54

Densities and isobaric vapor-liquid equilibria of butyl esters (methanoate to butanoate) with ethanol at 101.32 kPa  

SciTech Connect (OSTI)

Vapor-liquid equilibrium and densities at 101.32 kPa have been determined for the binary systems formed by four butyl esters (from methanoate to butanoate) with ethanol. The four systems exhibit positive deviations from ideal behavior, and all data (p-T-x-y) were found to be thermodynamically consistent. The activity coefficients and the dimensionless function G{sup E}/RT of the solution were correlated with its concentration by different equations. Am azeotrope was found in the mixture butyl methanoate (1) + ethanol (2) at T = 350.9 K and x{sub 1} = y{sub 1} = 0.088. The group contribution models ASOG and modified UNIFAC gave fair predictions.

Gonzalez, E.; Ortega, J. [Univ. of Las Palmas de Gran Canaria (Spain)

1995-11-01T23:59:59.000Z

55

Use of ferric sulfate: acid media for the desulfurization of model compounds of coal. [Dibenzothiophene, diphenyl sulfide, di-n-butyl sulfide  

SciTech Connect (OSTI)

The objective of this work has been to investigate the ability of ferric sulfate-acid leach systems to oxidize the sulfur in model compounds of coal. Ferric iron-acid leach systems have been shown to be quite effective at removal of inorganic sulfur in coal. In this study, the oxidative effect of ferric iron in acid-leach systems was studied using dibenzothiophene, diphenyl sulfide, and di-n-butyl sulfide as models of organic sulfur groups in coal. Nitrogen and oxygen, as well as various transition metal catalysts and oxidants, were utilized in this investigation. Dibenzothiophene was found to be quite refractory to oxidation, except in the case where metavanadate was added, where it appears that 40% oxidation to sulfone could have occurred per hour at 150/sup 0/C and mild oxygen pressure. Diphenyl sulfide was selectively oxidized to sulfoxide and sulfone in an iron and oxygen system. Approximately 15% conversion to sulfone occurred per hour under these conditions. Some of the di-n-butyl sulfide was cracked to 1-butene and 1-butanethiol under similar conditions. Zinc chloride and ferric iron were used at 200/sup 0/C in an attempt to desulfonate dibenzothiophene sulfone, diphenyl sulfone, and di-n-butyl sulfone. Di-n-butyl sulfone was completely desulfurized on one hour and fragmented to oxidized parafins, while dibenzothiophene sulfone and diphenyl sulfone were unaffected. These results suggest that an iron-acid leach process could only selectively oxidize aryl sulfides under mild conditions, representing only 20% of the organic sulfur in coal (8% of the total sulfur). Removal through desulfonation once selective sulfur oxidation had occurred was only demonstrated for alkyl sulfones, with severe oxidation of the fragmented paraffins also occurring in one hour.

Clary, L.R.; Vermeulen, T.; Lynn, S.

1980-12-01T23:59:59.000Z

56

Solubility of benzyl methacrylate/methacrylic acid copolymers in carbon dioxide-expanded acetone and correlation with the PC-SAFT equation of state  

Science Journals Connector (OSTI)

Abstract The high-pressure solid–liquid–vapor phase behavior of ternary systems comprising CO2, acetone, and benzyl methacrylate (BzMA)/methacrylic acid (MAA) copolymers has been probed experimentally and modeled with the PC-SAFT equation of state. Precipitation of BzMA/MAA copolymers required a larger overall CO2 mole fraction – and a correspondingly higher system pressure – in dilute solutions; however, a minimum in the precipitation pressure was observed for all copolymer compositions and temperatures near a CO2-free copolymer mass fraction of 0.05. These systems were characterized by a rapid reduction in copolymer solubility over a relatively narrow range of pressure (between 1.48 MPa and 2.86 MPa). The precipitation pressure increased with increasing temperature and BzMA mass fraction (per copolymer mass unit). The PC-SAFT EOS was successfully used to correlate the phase behavior data using binary interaction parameters with linear temperature dependence. The average relative error associated with the calculated precipitation pressure for each copolymer was 4.1% over the range of temperature and composition examined. Liquid phase carbon dioxide mole fraction was calculated to monotonically increase with increasing solid precipitation pressure, implying that carbon dioxide does not act as an antisolvent at higher (>5 wt%) copolymer fractions.

Scott M. Paap; Kurt Frey; Gregory R. Johnson; Jefferson W. Tester

2014-01-01T23:59:59.000Z

57

Identification of volatile butyl rubber thermal-oxidative degradation products by cryofocusing gas chromatography/mass spectrometry (cryo-GC/MS).  

SciTech Connect (OSTI)

Chemical structure and physical properties of materials, such as polymers, can be altered as aging progresses, which may result in a material that is ineffective for its envisioned intent. Butyl rubber formulations, starting material, and additives were aged under thermal-oxidative conditions for up to 413 total days at up to 124 %C2%B0C. Samples included: two formulations developed at Kansas City Plant (KCP) (%236 and %2310), one commercially available formulation (%2321), Laxness bromobutyl 2030 starting material, and two additives (polyethylene AC-617 and Vanax MBM). The low-molecular weight volatile thermal-oxidative degradation products that collected in the headspace over the samples were preconcentrated, separated, and detected using cryofocusing gas chromatography mass spectrometry (cryo-GC/MS). The majority of identified degradation species were alkanes, alkenes, alcohols, ketones, and aldehydes. Observations for Butyl %2310 aged in an oxygen-18 enriched atmosphere (18O2) were used to verify when the source of oxygen in the applicable degradation products was from the gaseous environment rather than the polymeric mixture. For comparison purposes, Butyl %2310 was also aged under non-oxidative thermal conditions using an argon atmosphere.

Smith, Jonell Nicole; White, Michael Irvin; Bernstein, Robert; Hochrein, James Michael

2013-02-01T23:59:59.000Z

58

Solvent Extraction Behavior of Neptunium (IV) Ions between Nitric Acid and Diluted 30% Tri-butyl Phosphate in the Presence of Simple Hydroxamic Acids  

SciTech Connect (OSTI)

Formo- and aceto-hydroxamic acids are very effective reagents for stripping tetravalent actinide ions such as Np(IV) and Pu(IV) ions from a tri-butyl phosphate phase into nitric acid. Distribution data for Np(IV) in the presence of these hydroxamate ions have now been accumulated and trends established. Stability constants for aceto-hydroxamate complexes of Np(IV) and Np(V) ions have also been determined in a perchlorate medium, and these reaffirm the affinity of hydroxamate ligands for actinide (IV) ions over actinyl (V,VI) ions.

Taylor, Robin J.; Sinkov, Sergey I.; Choppin, Gregory R.; May, Iain

2008-01-15T23:59:59.000Z

59

An evaluation of the 3M Organic Vapor Monitor #3500 as a short term exposure limit sampling device for acetone, methyl ethyl ketone, and methyl iso butyl ketone  

E-Print Network [OSTI]

. An exploded view of the monitor is illustrated in Figure 1. The theory of diffusive sampling considers a concentration gra- dient between the ambient air and the adsorbent to be the driving force for sampling. For the adsorption to be controlled by diffu...AN EVALUATION OF THE 3M ORGANIC VAPOR MONITOR 43500 AS A SHOR'I TERM EXPOSURE LIMIT SAMPLING DEVICE FOR ACETONE, METHYL ETHYL KETONE, AND METHYL ISO BUTYL KETONE A Thesis by LLOYD B. ANDREW III Submitted to the Graduate College of Texas ASM...

Andrew, Lloyd B.

2012-06-07T23:59:59.000Z

60

A New Flow Control Technique Using Diluted Epinephrine in the N-butyl-2-cyanoacrylate Embolization of Visceral Artery Pseudoaneurysms Secondary to Chronic Pancreatitis  

SciTech Connect (OSTI)

Although n-butyl-2-cyanoacrylate (NBCA) has been used as an effective liquid embolization material, its indication for pseudoaneurysms has seemingly been limited because of the technical difficulties of using NBCA, such as reflux to the parent artery and causing significant infarction. Thus, considerable skill in using NBCA or a device to control blood flow during its polymerization is required to achieve embolization without severe complications. We report our new technique for controlling blood flow using diluted epinephrine in transcatheter arterial NBCA embolization of five pseudoaneurysms in four cases secondary to hemosuccus pancreaticus.

Morishita, Hiroyuki, E-mail: hmorif@koto.kpu-m.ac.jp [Japan Red Cross Kyoto Daiichi Hospital, Department of Diagnostic Radiology (Japan); Yamagami, Takuji [Kyoto Prefectural University of Medicine, Department of Radiology, Graduate School of Medical Science (Japan); Takeuchi, Yoshito [National Cancer Center, Division of Diagnostic Radiology (Japan); Matsumoto, Tomohiro; Asai, Shunsuke; Masui, Koji [Japan Red Cross Kyoto Daiichi Hospital, Department of Diagnostic Radiology (Japan); Sato, Hideki [Japan Red Cross Kyoto Daiichi Hospital, Department of Gastroenterology (Japan); Taniguchi, Fumihiro [Japan Red Cross Kyoto Daiichi Hospital, Department of Surgery (Japan); Sato, Osamu [Japan Red Cross Kyoto Daiichi Hospital, Department of Diagnostic Radiology (Japan); Nishimura, Tsunehiko [Kyoto Prefectural University of Medicine, Department of Radiology, Graduate School of Medical Science (Japan)

2012-08-15T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Modeling of the simultaneous extraction of nitric acid and uranyl nitrate with tri-n-butyl phosphate. Application to extraction operation  

SciTech Connect (OSTI)

A mathematical model developed for the equilibrium HNO{sub 3}-UO{sub 2}(NO{sub 3}){sub 2}-tri-n-butyl phosphate (TBP)-diluent is the basis of the computation of distribution isotherms. The isotherms are used to study the influence of TBP concentration on two chosen operation parameters, distribution coefficients and number of theoretical stages, for the selected flow sheets. It is established that an increase in TBP concentration leads to a decrease in the number of theoretical stages for the extraction flow sheets but to their increase for the striping flow sheets. Given diagrams can be used to determine the efficiency of extraction processes. Agreement with available literature calculations on the number of theoretical stages supports the use of the model in the computation of distribution isotherms, of the system quoted above, in a wide range of nitric acid, uranyl nitrate, and TBP concentrations.

Comor, J.J.; Tolic, A.S.; Kopecni, M.M.; Petkovic, D.M. [Vinca Inst. of Nuclear Sciences, Belgrade (Yugoslavia). Chemical Dynamics Lab.] [Vinca Inst. of Nuclear Sciences, Belgrade (Yugoslavia). Chemical Dynamics Lab.

1999-01-01T23:59:59.000Z

62

Fluctuating micro-heterogeneity in water–tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies  

SciTech Connect (OSTI)

Water–tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with x{sub TBA} ? 0.03–0.07. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at x{sub TBA} ? 0.05. We note that “islands” of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak nonlinearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, x{sub TBA} ? 0.45, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level.

Banerjee, Saikat; Furtado, Jonathan; Bagchi, Biman, E-mail: bbagchi@sscu.iisc.ernet.in [SSCU, Indian Institute of Science, Bangalore 560012 (India)] [SSCU, Indian Institute of Science, Bangalore 560012 (India)

2014-05-21T23:59:59.000Z

63

Transport study of hafnium(IV) and zirconium(IV) ions mutual separation by using Tri-n-butyl phosphate-xylene-based supported liquid membranes  

SciTech Connect (OSTI)

A Hf transport study through supported liquid membranes has been carried out to determine flux and permeability data for this metal ion. Tri-n-butyl phosphate (TBP)-xylene-based liquid membranes supported in polypropylene hydrophobic microporous film have been used. These data for hafnium and the previous data for zirconium have furnished the Zr to Hf flux ratio (S) as a function of nitric acid and TBP concentrations of the order of 12 in a single stage at room temperature. Optimum conditions for the separation of these two metal ions appear to 5-6 TBP mol/dm{sup 3} HNO{sub 3}, concentrations {le} 2.93 mol/dm{sup 3}, and 10C. The value of S from an aqueous solution containing 2.4% Hf with respect to Zr has been found to be >125 at 10C and 1.78 mol/dm{sup 3} TBP concentration in the membrane. The technique appears to be feasible for purification of Zr respect to Hf or vice versa.

Chaudry, M.A.; Ahmed, B. (Pakistan Inst. of Nuclear Science and Technology, Islamabad (Pakistan))

1992-02-01T23:59:59.000Z

64

Low-temperature CVD of iron, cobalt, and nickel nitride thin films from bis[di(tert-butyl)amido]metal(II) precursors and ammonia  

SciTech Connect (OSTI)

Thin films of late transition metal nitrides (where the metal is iron, cobalt, or nickel) are grown by low-pressure metalorganic chemical vapor deposition from bis[di(tert-butyl)amido]metal(II) precursors and ammonia. These metal nitrides are known to have useful mechanical and magnetic properties, but there are few thin film growth techniques to produce them based on a single precursor family. The authors report the deposition of metal nitride thin films below 300?°C from three recently synthesized M[N(t-Bu){sub 2}]{sub 2} precursors, where M?=?Fe, Co, and Ni, with growth onset as low as room temperature. Metal-rich phases are obtained with constant nitrogen content from growth onset to 200?°C over a range of feedstock partial pressures. Carbon contamination in the films is minimal for iron and cobalt nitride, but similar to the nitrogen concentration for nickel nitride. X-ray photoelectron spectroscopy indicates that the incorporated nitrogen is present as metal nitride, even for films grown at the reaction onset temperature. Deposition rates of up to 18?nm/min are observed. The film morphologies, growth rates, and compositions are consistent with a gas-phase transamination reaction that produces precursor species with high sticking coefficients and low surface mobilities.

Cloud, Andrew N.; Abelson, John R., E-mail: abelson@illinois.edu [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, 201 Materials Science and Engineering Building, 1304 W. Green St., Urbana, Illinois 61801 (United States); Davis, Luke M.; Girolami, Gregory S., E-mail: girolami@scs.illinois.edu [School of Chemical Sciences, University of Illinois at Urbana-Champaign, 600 S. Mathews Ave., Urbana, Illinois 61801 (United States)

2014-03-15T23:59:59.000Z

65

Fluctuating micro-heterogeneity in water - tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies  

E-Print Network [OSTI]

Water - tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with $x_{\\text{TBA}} \\approx 0.03 - 0.07$. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at $x_{\\text{TBA}} \\approx 0.05$. We note that "islands" of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak non-linearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, $x_{\\text{TBA}} \\approx 0.45$, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level.

Saikat Banerjee; Jonathan Furtado; Biman Bagchi

2014-02-20T23:59:59.000Z

66

Solubility of carbon dioxide, nitrous oxide, ethane, and nitrogen in 1-butyl-1-methylpyrrolidinium and trihexyl(tetradecyl)phosphonium tris(pentafluoroethyl)trifluorophosphate (eFAP) ionic liquids  

Science Journals Connector (OSTI)

The density and viscosity of the ionic liquids 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate [C1C4Pyrro][eFAP] and trihexyl(tetradecyl)phosphonium tris(pentafluoroethyl)trifluorophosphate [P66614][eFAP] were measured as a function of temperature and pressure and as a function of temperature, respectively. These two ionic liquids are more viscous than those based in the same anion associated to imidazolium cations. The effect of the addition of water on the density and viscosity of [P66614][eFAP] was studied at pressures close to atmospheric and as a function of the temperature. This ionic liquid is only partially miscible with water, its solubility being of around X H 2 O = 0.2 in the range of (303 to 315) K. Experimental values of the solubility of carbon dioxide, nitrous oxide, ethane, and nitrogen were obtained as a function of temperature and at pressures close to atmospheric. Carbon dioxide and nitrous oxide are the more soluble gases with mole fraction solubilities up to 7 · 10?2. Ethane is four times and 1.3 times less soluble than carbon dioxide in [C1C4Pyrro][eFAP] and [P66614][eFAP], respectively. Nitrogen is one order of magnitude less soluble than the others gases in the two ionic liquids studied. In order to understand behavior of the different gases with these ionic liquids, the thermodynamic functions of solvation such as enthalpy and entropy were calculated from the variation of the Henry’s law constant with temperature. It is shown that the more favorable interactions of the gases with the ionic liquid explain the larger solubility of carbon dioxide and nitrous oxide in [C1C4Pyrro][eFAP]. In the case of [P66614][eFAP], it is the less favorable entropic contribution that explains the lower solubility of ethane in this ionic liquid.

S. Stevanovic; M.F. Costa Gomes

2013-01-01T23:59:59.000Z

67

Synthesis, structures, and properties of novel aminodisilanes bearing bulky substituents: 1,2-bis(1,1,2-trimethylpropyl)-1,1,2,2-tetrakis(diethylamino) disilane and 1,2-di-tert-butyl-1,1,2,2-tetrakis(diethylamino) disilane  

Science Journals Connector (OSTI)

Two novel tetraaminodisilanes, 1,2-bis(1,1,2-trimethylpropyl)-1,1,2,2-tetrakis(diethylamino)disilane (1) and 1,2-di-tert-butyl-1,1,2,2-tetrakis(diethylamino)disilane (2) were synthesized and X-ray crystallography analyses of these compounds were carried out. Reflecting the steric congestion, the Si?Si bonds are very long: 2.539(2) Å for bis(1,1,2-trimethylpropyl)disilane, and 2.4764(9) Å for di-tert-butyl-disilane. UV spectra and oxidation potentials of several tetraaminodialkyldisilanes are compared and discussed. In addition, in the chlorination of 1 with HCl, 1,1,2,2-tetrachloro-1,2-bis(1,1,2-trimethylpropyl)disilane (6) was obtained with a 72% yield.

Masafumi Unno; Mina Saito; Hideyuki Matsumoto

1995-01-01T23:59:59.000Z

68

LANXESS Global Butyl Rubber Research Facility  

E-Print Network [OSTI]

Park, in partnership with Surface Science Western $10million City of London Investment in Fraunhofer- fraunhofer Agreement chosen to highlight celebrations for 40th Anniversary of Canada-Germany cooperation fuel cluster in Sarnia-Lambton, said Sarnia Mayor Mike Bradley, noting the Bioindustrial Innovation

Denham, Graham

69

Mechanisms of gas permeation through polymer membranes. Progress report, July 1, 1985-May 31, 1986. [CH/sub 4/, C/sub 2/H/sub 6/, n-C/sub 4/H/sub 10/, CO/sub 2/ in poly(n-butyl methacrylate)  

SciTech Connect (OSTI)

The work described is concerned with the significant changes in these mechanisms in the glass-transition range. Permeability, diffusion, and solubility coefficients for CH/sub 4/, C/sub 2/H/sub 4/, C/sub 2/H/sub 6/, and n-C/sub 4/H/sub 10/ in poly(n-butyl methacrylate) (PnBMA) were determined at pressures up to 25 atm and from -14/sup 0/ to 50/sup 0/C. Solubility was also determined for CO/sub 2/ in PnBMA at pressures up to 25 atm and at -10/sup 0/ and 30/sup 0/C. No significant changes were observed in the pressure (or concentration) and temperature dependence of the permeability, diffusion, and solubility coefficients for CH/sub 4/, C/sub 2/H/sub 6/, and n-C/sub 4/H/sub 10/ in the glass-transition range of PnBMA, or when the temperature was lowered below T/sub g/. Moreover, these gas/polymer systems do not exhibit below T/sub g/ the usual ''dual-mode'' sorption behavior of gases in glassy polymers. The solubility isotherm for CO/sub 2/ in PnBMA at -10/sup 0/C and lower pressures suggests incipient dual-mode sorption. Results are exceptions to dual-mode sorption behavior and may be due to small difference in the coefficients of thermal expansion of PnBMA above and below T/sub g/. This indicates that the unrelaxed domains in glassy PnBMA are very small. A ''free-volume'' mechanism describes the dependence of C/sub 2/H/sub 6/ permeability on P, T both above and below the glass transition of PnBMA. Adsorption/desorption kinetics are Fickian.

Stern, S.A.; Vakil, U.; Zhou, S.

1986-05-01T23:59:59.000Z

70

Synthesis and characterization of hybrid materials based on 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and Dawson-type tungstophosphate K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O and K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O  

SciTech Connect (OSTI)

In this study, we synthesized hybrid materials using well-Dawson polyoxometalates (POMs), K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O or K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O and a room temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF{sub 4}]). K, W, P and CHN elemental analysis showed that one mole of [H{sub 4}PW{sub 18}O{sub 62}]{sup 7-} reacts with 6 moles of BMIM{sup +} and one mole of [P{sub 2}W{sub 18}O{sub 62}]{sup 6-} reacts with 4 moles of BMIM{sup +} to form, respectively, K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. X-ray diffraction illustrated amorphous structure of the hybrid materials. FT-IR spectra showed the presence of both 1-butyl-3-methylimidazolium cation and the Dawson anion. TG analysis displayed a relative thermal stability of the hybrid materials compared to the parents Dawson POMs. Cyclic voltammetry showed that the reduction peak potentials of the Dawson anion in the hybrid materials shift towards negative values and the shift is more pronounced for K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} compared to K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. This was attributed to a decrease in the acidity of the Dawson POM anion in the hybrid material. -- Graphical abstract: Powder XRD patterns of (a) PW{sub 18}, (b) K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62}, (c) P{sub 2}W{sub 18}, and (d) K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. Display Omitted Research highlights: {yields} 1-butyl-3-methylimidazolium tetrafluoroborate([BMIM][BF{sub 4}]) reacts with K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O to form K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62}. {yields} [BMIM][BF{sub 4}] reacts with K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O to form K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} displayed amorphous structures. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} illustrated low water content. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} showed improved thermal stability.

Ammam, Malika, E-mail: m78ammam@yahoo.f [Department of Metallurgy and Materials Engineering (MTM), K.U Leuven, Kasteelpark Arenberg 44, B-3001 Heverlee (Belgium); Fransaer, Jan [Department of Metallurgy and Materials Engineering (MTM), K.U Leuven, Kasteelpark Arenberg 44, B-3001 Heverlee (Belgium)

2011-04-15T23:59:59.000Z

71

Reactivity of the Quinone Methide of Butylated hydroxytoluene in Solution  

E-Print Network [OSTI]

BHT is a common antioxidant in pharmaceutical formulations and when oxidized it forms a quinone methide (QM). QM is a highly reactive electrophilic species which can undergo nucleophilic addition. This research investigated ...

Willcockson, Maren Gulsrud

2011-08-31T23:59:59.000Z

72

Photochemical dimerization of a fluorinated di­benzyl­ideneacetone in chloro­form solution  

Science Journals Connector (OSTI)

(1E,4E)-1,5-Bis(2,6-di­fluoro­phen­yl)penta-1,4-dien-3-one dimerizes under sunlight in chloro­form solution to form the corresponding cyclo­butane derivative. The dimer shows the `truxillic acid'-type arrangement of crystallographic centres of inversion, with cell dimensions closely related to those of the monomer.

Schwarzer, A.

2014-01-09T23:59:59.000Z

73

E-Print Network 3.0 - alkyl dimethyl benzyl Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

acceptable, but models show that it Summary: -Alder reaction of dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylateand a subsequent in- tramolecular Diels... : the inverse electron...

74

Synthesis and structural characterization of new dithiocarbamate complexes from Sb(III) and Bi(III)  

SciTech Connect (OSTI)

Twenty new antimony and bismuth dithiocarbamate complexes which employed ten different type of amines have been successfully synthesized. The synthesized complexes with metal to dithiocarbamate ratio at 1:3. Elemental analysis of the complexes gave the general formula of MCl[S{sub 2}CNR’R”]{sub 2} where M = Sb(III), Bi(III); R’ = methyl, ethyl, propyl, isopropyl, butyl, sec-butyl, benzyl; R” = ethanol, methyl, ethyl, propyl, isopropyl, cyclohexyl, benzyl. The complexes were analysed by IR and NMR spectroscopy. The crystal structure of five-coordinated antimony (III) complex have been determined by X-ray single crystal diffraction. Single crystal X-ray diffraction studies on SbCl[S{sub 2}CN(C{sub 4}H{sub 9})(C{sub 2}H{sub 5})]{sub 2} adopted a triclinic system with a space group P1 with a = 10.0141(8) Å, b = 10.1394(7) Å, c = 11.8665(9) Å, ? = 67.960°, ? =87.616°, ? = 80.172°.

Jamaluddin, Nur Amirah; Baba, Ibrahim [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

2013-11-27T23:59:59.000Z

75

Impacts of Ethanol on Anaerobic Production of Tert-Butyl Alcohol (TBA) from Methyl Tert-Butyl Ether (MTBE) in Groundwater  

E-Print Network [OSTI]

Project title: Impacts of Ethanol on Anaerobic Production oftert-butanol (TBA). As ethanol is being promoted as ainvestigate the effect of ethanol release on existing MTBE

Scow, K M; MacKay, Douglas

2008-01-01T23:59:59.000Z

76

Solubility of Solid tert-Butyl Mercaptan in Liquid Methane and an LNG Mixture  

Science Journals Connector (OSTI)

Knowledge of the solubility limit of heavy hydrocarbons in liquid methane is of practical interest in the liquefaction of natural gas. Data for several binary systems were given in previous publications [1,2].The...

G. P. Kuebler; C. McKinley

1980-01-01T23:59:59.000Z

77

The K-band microwave spectra of t-butyl halides  

E-Print Network [OSTI]

1954 Major Subjeet: Chemistry ACKNOWLEDGMENT The author wishes to express his appreciation to Dr. Fred W. Jensen for his help and encouragement during the oourse of this investigation. To the author's wife, Helen Louise, goes the credit for most...) as 100%. 10 Transition nvun.be r assignments and frequencies of the unperturbed rotational lines aa given abova ware calculated by Methods described in the following seotion. 11 DISCUSSION 12 The fundamental process of energy absorption...

Crook, George Hardy

2013-10-04T23:59:59.000Z

78

E-Print Network 3.0 - alkyl tert-butyl ether Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

> >> 1 7198 J. Org. Chem. 1995,60, 7198-7208 Gas Phase Decomposition of Conjugate Acid Ions of Simple Summary: .S.Patent 5,091,590,1992. 0 1995American Chemical Society...

79

E-Print Network 3.0 - aluminum triso-ethylphosphonate butylate...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Resistance Advancements: Dr. Dragan CurcijaDr. Dragan Curcija Summary: -Expanded (EPS) Pine or Douglas Fir Frame Cavity Polyfoam tape Urethane Sealant Silicone...

80

THERMODYNAMICS OF EXTRACTION OF NITRIC ACID BY TRI-n-BUTYL PHOSPHATE--HYDROCARBON DILUENT SOLUTIONS  

E-Print Network [OSTI]

the mean act ivi ty coefficient T of TBP and TBP.H20 i n the acid-free, water-saturated organic phase

Wallace Davis

1961-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Safe conditions for contacting nitric acid or nitrates with tri-n-butyl phosphate (TBP)  

SciTech Connect (OSTI)

In response to a request from DOE-SR, the current state of knowledge of the reactions between TBP and aqueous nitrate solutions is critically reviewed, and recommendations are made for the safe operation of SRS separations equipment in which this combination of chemicals may be present. The existing limits for evaporation are validated. Guidelines are presented for cases in which general limits do not apply. The rate of reaction between nitric acid and TBP appears to be controlled by the rate of TBP hydrolysis. The hydrolysis reaction produces dibutyl phosphate and n-butanol. The hydrolysis rate is a strong function of temperature, and becomes very fast at temperatures in the range 130{degrees} to 150{degrees}C. The resulting n-butanol is volatile at high temperatures, boiling at 117.5{degrees}C, but is also subject to exothermic oxidation by nitric acid or nitrates. If oxidation occurs before the n-butanol evaporates, the heat of oxidation may exceed local cooling by convection. The resulting heating will further accelerate the reaction, leading to an energetic runaway and possibly (in confined systems) an explosion. Extensive experiments and practice have shown that in a well-mixed and well-vented aqueous system such as an evaporator, at moderate acidities and temperatures below 130{degrees}C, the heat of reaction is adequately removed by vaporization of steam. In general, the heating will be so slow that natural processes provide adequate cooling at temperatures below 80{degrees}C. Above this temperature, care should be taken to ensure that adequate cooling is available for the amount of TBP that may be present. Experiments suggest that in well-ventilated systems n-butanol evaporation and convective cooling are sufficient to control the reaction at temperatures up to 120{degrees}C.

Hyder, M.L

1994-01-01T23:59:59.000Z

82

Treatment of Methyl tert-Butyl Ether Vapors in Biotrickling Filters. 1.  

E-Print Network [OSTI]

because of its low cost and blending characteristics. Depending on the season, reformulated gasoline of reactor per hour, a value comparable to other gasoline constituents. Such high performance could enhancer in gasoline. The use of MTBE increased rapidly after the 1990 Clean Air Act Amendments required

83

Optical fibers by butyl methacrylate reactive extrusion Berthet Romuald, Chalamet Yvan, Taha Mohamed*, Zerroukhi Amar  

E-Print Network [OSTI]

limitations. Reactive extrusion experiments were carried out in a twin-screw extruder and the effect optical fibbers, polymethacrylate. Introduction Twin screw extruders are playing an increasing role of reactive extrusion is explained by the different advantages offered by the use of the twin-screw extruders

Paris-Sud XI, Université de

84

E-Print Network 3.0 - acaricide tri-n-butyl tin Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

of California, Davis; Seybold, Steven J. - Departments of Entomology and Forest Resources, University of Minnesota Collection: Biotechnology ; Environmental Sciences and...

85

Environmental Microbiology (2001) 3(6), 407416 Methyl tert-butyl ether (MTBE) degradation by a  

E-Print Network [OSTI]

Tank (LUFT) remediation programme. A recent USGS study has estimated that as many as 9000 community, remediation actions are implemented at costs usually 10± 30% higher than those at sites without MTBE contamina- tion. The evaluation of innovative and cost-effective treatment such as bioremediation for MTBE spills

86

Biodegradation of Methyl tert-Butyl Ether by a Pure Bacterial Culture  

Science Journals Connector (OSTI)

...identify cost-effective remediation technologies. Relatively...treated with ENV735 as a remediation biocatalyst, but the strain...through the Small Business Innovative Research program (grant...situ bioaugmentation for remediation of chlorinated solvents in...

Paul B. Hatzinger; Kevin McClay; Simon Vainberg; Marina Tugusheva; Charles W. Condee; Robert J. Steffan

2001-12-01T23:59:59.000Z

87

Treatment of Methyl tert-Butyl Ether Contaminated Water Using a Dense  

E-Print Network [OSTI]

discharge of organic compounds require that new, innovative tech- nologies and methods of remediation dioxide, making the DMP reactor a promising tool in the future remediation of water. Chemical and physical is transformed into a more toxic material or a substance that is more difficult to remediate, the treatment

Dandy, David

88

Oxidative desulfurization of dibenzothiophene with tert-butyl hydro peroxide in a photochemical micro-reactor.  

E-Print Network [OSTI]

??Sulfur content in fuels is an increasingly critical environmental issue. Hydrodesulfurization removes sulfur from hydrocarbons; however, further desulfurization is necessary in fuels. New methods are… (more)

Hebert, Eilleen M.

2007-01-01T23:59:59.000Z

89

Frontside versus backside reactivity in electron transfer to oriented tert butyl bromide and methyl bromide  

E-Print Network [OSTI]

by bimolecular nucleophilic substitution (SN2) reactions, such as Cl CH3BrClCH3 Br . 1 These reactions proceedH9Br. © 2002 American Institute of Physics. DOI: 10.1063/1.1496477 I. INTRODUCTION Chemical reaction decreases the reaction rate by orders of magnitude because the larger CH3 groups impede the inversion

Brooks, Philip R.

90

Saponification rates of isomeric butyl esters in aqueous 1,4-dioxane  

E-Print Network [OSTI]

, "Handbuch der Organischen Chemie," l*th ed., Vol. II, J. Springer, Berlin, 1920 (see also 1st and 2nd supplements); %. Schlenk, Jr., Ann., 573, 1^2(1951). 26 V. 1,4-Dioxane. The 1,4-dioxane (Matheson Co.) used in this research was specified...

Ruhnke, Edward Vincent

2013-10-04T23:59:59.000Z

91

E-Print Network 3.0 - antioxidant butylated hydroxytoluene Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

University Collection: Environmental Sciences and Ecology ; Biology and Medicine 5 Evaluation of Potential Therapies for a Mouse Model of Human Age-Related Macular Degeneration...

92

E-Print Network 3.0 - acid t-butyl ester Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

at Berkeley Collection: Materials Science ; Chemistry 67 Management of Hazardous Waste A Policy and Procedures Manual Summary: . It can be substituted by...

93

Role of Benzyl Alcohol in Controlling the Growth of TiO2 on Carbon Nanotubes David J. Cooke,*,  

E-Print Network [OSTI]

. Introduction Titanium dioxide (TiO2) is one of the most important transition-metal oxides with applications. First, the interface between graphene and BA, where we found that the adsorption layer is dominated interaction with the titanium sol.12,19 Such groups are commonly attached via covalent bonding upon

Elliott, James

94

2-(3,5-Dinitrophenyl)-1,3-dithiane Carbanion: A Benzylic Anion with a Low Energy Triplet State  

Science Journals Connector (OSTI)

Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021, United States ... Lenington, M. J.; Wenthold, P. G. J. Phys. ...

Raffaele R. Perrotta; Arthur H. Winter; William H. Coldren; Daniel E. Falvey

2011-08-26T23:59:59.000Z

95

THE JOURNAL OF CHEMICAL PHYSICS 139, 014704 (2013) Molecular dynamics simulations of n-hexane at 1-butyl-3-  

E-Print Network [OSTI]

pharmaceutical ingredients, solvents for green processing, purification processes, supercritical fluid applica

Lisal, Martin

96

Effect of Butylated Hydroxytoluene (BHT) on the Aerobic Biodegradation of a Model Vegetable Oil in Aquatic Media  

Science Journals Connector (OSTI)

Becker, P.; Koster, D.; Popov, M. N.; Markossian, S.; Antranikian, G.; Markl, H.The biodegradation of olive oil and the treatment of lipid-rich wool scouring wastewater under aerobic thermophilic conditions Water Resour. ... The biodegradation of olive oil and the treatment of lipid-rich wool scouring wastewater under aerobic thermophilic conditions ... The biodegrdn. of olive oil and the treatment of the lipid-rich wool scouring wastewater were studied under aerobic thermophilic (65°) conditions using Bacillus thermoleovorans IHI-91. ...

Darine A. Salam; Makram T. Suidan; Albert D. Venosa

2012-06-01T23:59:59.000Z

97

Biodegradation of Methyl tert-Butyl Ether and Other Fuel Oxygenates by a New Strain, Mycobacterium austroafricanum IFP 2012  

Science Journals Connector (OSTI)

...and the O2 consumption rate was measured with a 12-mm...France). The measured rates were corrected for endogenous...Cells were broken by three passes through a French press...from 105 to 200C at a rate of 10C/min. Helium...flushed with a Spectra-Physics SCM 400 vacuum flusher...

Alan François; Hugues Mathis; Davy Godefroy; Pascal Piveteau; Françoise Fayolle; Frédéric Monot

2002-06-01T23:59:59.000Z

98

Acta Cryst. (1983). C39, 985-987 Structureof Benzoyl(tert-butyl isocyanide)(carbonyl)bis(dimethylphenyl-  

E-Print Network [OSTI]

.375(3) and 2.362 (4) ]~; -COPh is trans to --CNC(Me) 3 with Ru-COPh and Ru-CNC(Me) 3 distances of 2.142 (15 with equimolar quantities of the isocyanide Me3CNC. From the analytical data for the products it was difficult obtained by reaction of [Ru(CO)2Ph 2- (PMe2Ph)2] and Me3CNC. It seemed possible that the resonance was due

99

On the structural and impedance characteristics of Li- doped PEO, using n-butyl lithium in hexane as dopant  

SciTech Connect (OSTI)

Nowadays polymer based solid state electrolytes for applications in rechargeable battery systems are highly sought after materials, pursued extensively by various research groups worldwide. Numerous methods are discussed in literature to improve the fundamental properties like electrical conductivity, mechanical stability and interfacial stability of polymer based electrolytes. The application of these electrolytes in Li-ion cells is still in the amateur state, due to low ionic conductivity, low lithium transport number and the processing difficulties. The present work is an attempt to study the effects of Li doping on the structural and transport properties of the polymer electrolyte, poly-ethelene oxide (PEO) (Molecular weight: 200,000). Li doped PEO was obtained by treating PEO with n-Butyllithium in hexane for different doping concentrations. Structural characterization of the samples was done by XRD and FTIR techniques. Impedance measurements were carried out to estimate the ionic conductivity of Li doped PEO samples. It is seen that, the crystallinity of the doped PEO decreases on increasing the doping concentration. XRD and FTIR studies support this observation. It is inferred that, ionic conductivity of the sample is increasing on increasing the doping concentration since less crystallinity permits more ionic transport. Impedance measurements confirm the results quantitatively.

Anand, P. B., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in; Jayalekshmi, S., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in [Division for Research in Advanced Materials Department of Physics Cochin University of Science and Technology Cochin 22, Kerala (India)

2014-01-28T23:59:59.000Z

100

Safety of Tri-n-butyl phosphate (TBP) and nitric acid solutions in two-phase systems at elevated temperatures  

SciTech Connect (OSTI)

This paper addresses the prevention of self-accelerating oxidation of nitric acid and tributyl phosphate (TBP). An accident of this type, which occurred at Tomsk-7, Russia, in 1993, resulted from a slow chemical reaction occurring initially at sub-boiling temperatures. The accumulating heat and vapors overpressurized and burst a process tank. Two safety issues are addressed in this summary of experimental data: circumstances under which convection or radiation cooling of vessels will exceed reaction heat, and measures which can prevent or mitigate such reactions. Heat generations rates have been found to range widely. Thermodynamic calculations confirm that heat generation is reduced by a large factor when nitrogen oxides are able to escape from the reaction mixure. Scoping calculations show that the evaporation of water is potentially the most effective mechanism for heat removal in a large vessel, and experiments have demonstrated that water evaporation is effective for preventing runaway reactions in a vented, two-phase system operated below about 120 C. These data indicate that venting is the key to controlling runaway reactions. However, other experiments have indicated that the self-heating reaction did not present a danger, even if reaction heating led to an accelerating reaction, in a sufficiently vented system. To determine how much venting was required, experiments were performed with pure organic phase and two-phase TBP-nitric acid mixtures. Data show a critical ratio of organic mass to vent area, above which the reacting system can reach potentially dangerous pressures. Experiments show runaway reactions occurring in vented systems only as the temperature approaches 130 C. These results clearly indicate that adequate venting of vessels containing heated TBP and nitrate is the key to controlling their reaction.

Hyder, M.L.; Paddleford, D.F.; Thompson, M.C. [Westinghouse Savannah River Company, Aiken, SC (United States)

1995-12-31T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Induction of Methyl Tertiary Butyl Ether (MTBE)-Oxidizing Activity in Mycobacterium vaccae JOB5 by MTBE  

Science Journals Connector (OSTI)

...directly from the culture vessels. In experiments that followed...time course of organic acid consumption as well as MTBE oxidation...determine the extent of MTBE consumption and the accumulation of TBA...detectable growth or MTBE consumption occurred when cells were incubated...

Erika L. Johnson; Christy A. Smith; Kirk T. O'Reilly; Michael R. Hyman

2004-02-01T23:59:59.000Z

102

Enhancing Transport of Hydrogenophaga flava ENV735 for Bioaugmentation of Aquifers Contaminated with Methyl tert-Butyl Ether  

Science Journals Connector (OSTI)

...column was washed with the surfactant solution. d The sand was prewashed with the surfactant solution, and the cells...washed with BSM without surfactant. This work was supported...bacteria through a sandy soil. Appl. Environ. Microbiol...

Sheryl H. Streger; Simon Vainberg; Hailiang Dong; Paul B. Hatzinger

2002-11-01T23:59:59.000Z

103

An experimental system for the n-butyl-lithium initiated polymerization of styrene in a multi-sampled batch reactor  

E-Print Network [OSTI]

. The power to the water heater is controlled by a Fisher Proportional Temperature Control (Catalog P3 TENPERATURE CONTROLLER CONSTANT TENPERATURE BATH P2 CHILLER ELECTRICAL HEATER Figure 3. Schematic of Reactor Temperature Control System 20... successful column; i, e, , extremely high pressure drops and low plate counts were observed in these columns. As a last measure, the gel was stirred in a hot, concen- trated sodium hydroxide solution (approximately pH 13) for ten hours. The excess sodium...

Cox, James Harvey

2012-06-07T23:59:59.000Z

104

Treatment of methyl t-butyl ether contaminated water using a dense medium plasma reactor, a mechanistic and kinetic investigation  

E-Print Network [OSTI]

, a mechanistic and kinetic investigation Derek C. Johnson1 , Vasgen A. Shamamian2 , John H. Callahan2 , Ferencz S in the future remediation of water. Chemical and physical mechanisms, together with carbon balances, are used

Dandy, David

105

Effects of Gasoline Formulation on Methyl tert-Butyl Ether (MTBE) Contamination in Private Wells near Gasoline Stations  

Science Journals Connector (OSTI)

New York State Department of Health, Bureau of Environmental Exposure Investigation, 547 River Street, Room 300, Troy, New York 12180, and New York State Department of Health, Wadsworth Center for Laboratories and Research, P.O. ... Wells with contamination of ?20 ?g/L were scheduled for periodic or follow-up sampling by local county health departments or scheduled for remedial action, as appropriate. ... (13)?Delzer, G. C.; Zogorski, J. S.; Lopes, T. J.; Bosshart, R. L. Occurrence of the gasoline Oxygenate MTBE and BTEX compounds in urban stormwater in the United States, 1991?1995; U.S. Geologic Survey Water-Resources Investigations Report, WRIR 96-4145, Rapid City, SD, 1996. ...

Daniel P. Lince; Lloyd R. Wilson; Gordon A. Carlson; Anthony Bucciferro

2001-02-10T23:59:59.000Z

106

Enhancing Transport of Hydrogenophaga flava ENV735 for Bioaugmentation of Aquifers Contaminated with Methyl tert-Butyl Ether  

Science Journals Connector (OSTI)

...National Science Foundation Small Business Innovative Research (SBIR) program (award no...Ontario, Canada. Ground Water Monit. Remediation 18: 113-122. 52 Scholl, M. A...evaluation of in situ bioaugmentation for remediation of chlorinated solvents in groundwater...

Sheryl H. Streger; Simon Vainberg; Hailiang Dong; Paul B. Hatzinger

2002-11-01T23:59:59.000Z

107

Measurement of Trihalomethanes and Methyl Tertiary-Butyl Ether in Tap Water Using Solid-Phase Microextraction GC-MS  

Science Journals Connector (OSTI)

......ductive age living in Corpus Christi, Texas and Cobb...micro extraction with gas chromatography-mass...determinations using gas chromatog- raphy...of fulvic acids in natural waters. Env. Sci...trihalomethane by headspace-gas chromatog- raphy......

Frederick L. Cardinali; David L. Ashley; John C. Morrow; Deborah M. Moll; Benjamin C. Blount

2004-04-01T23:59:59.000Z

108

Synthesis of (±)-Hamigeran B, (?)-Hamigeran B, and (±)-1-epi-Hamigeran B:? Use of Bulky Silyl Groups to Protect a Benzylic Carbon?Oxygen Bond from Hydrogenolysis  

Science Journals Connector (OSTI)

Chemistry Department, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 ... (31)?(a) Leed, A. R.; Boettger, S. D.; Ganem, B. J. Org. ...

Derrick L. J. Clive; Jian Wang

2004-03-20T23:59:59.000Z

109

The Council of Scientific and Industrial Research, New Delhi  

Science Journals Connector (OSTI)

... oil and linseed stand oil, and established optimum conditions for the preparation of terpeneol from carene, 8-hydroxyquinoline from o-aminophenol, phenylacetic acid from benzyl chloride and phenylacetamide from benzyl ...

1961-09-23T23:59:59.000Z

110

E-Print Network 3.0 - acute cadmium chloride Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

chloride 100-44-7) and benzoyl chloride 98-88-4 (combined exposures) IARC-2A Acrolein Acutely... CalOSHAReproToxin Benzyl chloride AcutelyHazardousWaste Benzyl violet 4B...

111

Method of recovering uranium from aqueous solution  

SciTech Connect (OSTI)

Anion exchange resin derived from insoluble crosslinked polymers of vinyl benzyl chloride which are prepared by polymerizing vinyl benzyl chloride and a crosslinking monomer are particularly suitable in the treatment of uranium bearing leach liquors.

Albright, R.L.

1980-01-22T23:59:59.000Z

112

Synthetic methods for the installation of nitrogen- containing quaternary centers in complex bioactive natural products  

E-Print Network [OSTI]

synthesis of 3-hydroxy-4-oxopentanoic acid (125) began with aldol reaction of the lithium enolate of benzyl acetate (

Buller, Matthew Jay

2009-01-01T23:59:59.000Z

113

The Effect of the Di-Tertiary Butyl Peroxide (DTBP) additive on HCCI Combustion of Fuel Blends of Ethanol and Diethyl Ether  

E-Print Network [OSTI]

Ignition Using Isooctane, Ethanol and Natural Gas - AModel for High Temperature Ethanol Oxidation," Internationalof Bio-Derived Carbon from Ethanol-in-Diesel Blends in the

Mack, John Hunter; Buchholz, Bruce A; Flowers, Daniel L; Dibble, Robert W

2005-01-01T23:59:59.000Z

114

Simultaneous Speciation of Butyl-, Phenyl-, and Cyclohexyltin Compounds in Aqueous Matrices Using Ethylation Followed by Solid-Phase Trace Enrichment, SFE, and GC Determination  

Science Journals Connector (OSTI)

......TCyT), and their degradation products (1,2...the extraction cell had an internal volume...respectively. Flows of fuel gases were 120 mL...into the extraction cell, which contained...butyltin and its degradation products from seawater......

Yong Cai; Josep M. Bayona

1995-03-01T23:59:59.000Z

115

Effect of in-situ bonding system and surface modification of montmorillonite on the properties of butyl rubber/MMT composites  

Science Journals Connector (OSTI)

Isobutylene-isoprene rubber (IIR)/nanoclay composites were prepared by solution intercalation method. Cloisite Na + nanoclays and organo-modified montmorillonite (OMT) Cloisite 10 A .15 A and 20 A were used in this study. The effect of In-situ bonding system HRH (hexametylene tetramine: resorcinol: hydrated silica) on the dispersion of used nanoclays in the rubber matrix were examined by X-ray diffraction and atomic force microscopy (AFM). Characterization of the prepared composites was performed by studying the rheometeric and mechanical properties. The burning out behavior of the nanocomposites with and without the bonding system was also measured.

2012-01-01T23:59:59.000Z

116

Differential Gene Expression To Investigate the Effect of (5Z)-4-Bromo- 5-(Bromomethylene)-3-Butyl-2(5H)-Furanone on Bacillus subtilis  

Science Journals Connector (OSTI)

...PL APO 100/1.4 numerical aperture oil immersion objective (true confocal system...Acad. Sci. USA 91: 5788-5792. 23 Price, C. W. 2002. General stress response...of Chemical Engineering, University of Connecticut, 191 Auditorium Rd., U-3222, Storrs...

Dacheng Ren; Laura A. Bedzyk; Peter Setlow; Dacre F. England; Staffan Kjelleberg; Stuart M. Thomas; Rick W. Ye; Thomas K. Wood

2004-08-01T23:59:59.000Z

117

RELATIONS BETWEEN THE DETECTION OF METHYL TERT-BUTYL ETHER (MTBE) IN SURFACE AND GROUND WATER AND ITS CONTENT IN GASOLINE  

E-Print Network [OSTI]

AND ITS CONTENT IN GASOLINE By Michael J. Moran, Mike J. Halde, Rick M. Clawges and John S. Zogorski U in the United States as an octane enhancer and oxygenate in gasoline. Octane enhancement began in the late 1970's with the phase-out of tetraethyl lead from gasoline. The use of oxygenates was expanded

118

8180 Phys. Chem. Chem. Phys., 2011, 13, 81808185 This journal is c the Owner Societies 2011 Cite this: Phys. Chem. Chem. Phys., 2011, 13, 81808185  

E-Print Network [OSTI]

photofragment translational spectroscopy. The tert-butyl radical was produced from flash pyrolysis of azo

Neumark, Daniel M.

119

Numerical study of the effect of oxygenated blending compounds on soot formation in shock tubes  

SciTech Connect (OSTI)

This numerical study deals with the influence of blends on the amount of soot formed in shock tubes, which were simulated by assuming a homogeneous plug flow reactor model. For this purpose, first, the reaction model used here was validated against experimental results previously obtained in the literature. Then, the soot volume fractions of various mixtures of methyl tert-butyl ether (MTBE)-benzene, isobutene-benzene, methanol-benzene, and ethanol-benzene diluted in argon were simulated and compared to the results of benzene-argon pyrolysis at 1721 K and 5.4 MPa. For MTBE, isobutene, methanol, and ethanol, small amounts of additives to benzene-argon mixtures promoted soot formation, for the shock tube model assumed, while higher concentrations of these additives led to smaller soot volume fractions in comparison to pure benzene-argon pyrolysis. The most significant soot promotion effect was found for the additives MTBE and isobutene. The channel for MTBE decomposition producing isobutene and methanol is very effective at temperatures beyond 1200 K. Thus, both MTBE-benzene and isobutene-benzene mixtures diluted in argon showed rather similar behavior in regard to soot formation. Special emphasis was directed toward the causes for the concentration-dependent influence of the blends on the amount of soot formed. Aromatic hydrocarbons and acetylene were identified as key gas-phase species that determine the trends in the formation of soot of various mixtures. From reaction flux analysis for phenanthrene, it was deduced that the combinative routes including phenyl species play a major role in forming PAHs, especially at early reaction times. It is found that the additives play an important role in providing material to grow side chains, such as by reaction channels including phenylacetylene or benzyl, which are confirmed to form aromatic hydrocarbons and thus to influence the amount of soot formed, particularly when the concentrations of the blends are increased. (author)

Boehm, H. [Physikalische Chemie I, Universitaet Bielefeld (Germany); Braun-Unkhoff, M. [Deutsches Zentrum fuer Luft- und Raumfahrt e.V., Stuttgart (Germany)

2008-04-15T23:59:59.000Z

120

Linking Low-Level Stable Isotope Fractionation to Expression of the Cytochrome P450 Monooxygenase-Encoding ethB Gene for Elucidation of Methyl tert-Butyl Ether Biodegradation in Aerated Treatment Pond Systems  

Science Journals Connector (OSTI)

...application of CSIA in field investigations to detect biodegradation...52). An alternative remedial strategy could be the use...application of CSIA in field investigations to detect biodegradation may lead to...application of CSIA in field investigations to detect biodegradation...

Sven Jechalke; Mònica Rosell; Paula M. Martínez-Lavanchy; Paola Pérez-Leiva; Thore Rohwerder; Carsten Vogt; Hans H. Richnow

2010-12-10T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

Highly Regioselective [2 + 2 + 2] Cycloaddition of Terminal Alkynes Catalyzed by ?6-Arene Complexes of Titanium Supported by Dimethylsilyl-Bridged p-tert-Butyl Calix[4]arene Ligand  

Science Journals Connector (OSTI)

Two new Ti??6-arene complexes [(DMSC)Ti{?6-1,2,4-C6H3(SiMe3)3}] (6) and [(DMSC)Ti{?6-1,3,5-C6H3But3}] (7) containing 1,2-alternate, Me2Si-bridged p-tert-butylcalix[4]arene (DMSC) ancillary ligand have been synthesized. ... The high selectivity for 1,2,4-substituted benzene may be understood in terms of the directing influence of the DMSC ligand. ... For example, the two chloride ligands in (DMSC)TiCl2 (1) (DMSC = 1,2-alternate Me2Si-bridged p-tert-butylcalix[4]arene) exist in different stereochemical environments. ...

Oleg V. Ozerov; Brian O. Patrick; Folami T. Ladipo

2000-06-21T23:59:59.000Z

122

C(sp2)?C(sp3) Rotational Barriers in Simple Amides:? H2N?C(O)R (R = Methyl, Ethyl, i-Propyl, tert-Butyl)  

Science Journals Connector (OSTI)

(a) Cuillerdier, C.; Musikas, C.; Hoel, P.; Nigond, L.; Vitart, X. Sep. ... (f) Cuillerdier, C.; Musikas, C.; Nigond, L. Sep. ... (i) Nigond, L.; Musikas, C.; Cuillerdier, C. Solv. ...

Giovanni Sandrone; David A. Dixon; Benjamin P. Hay

1999-02-03T23:59:59.000Z

123

Photoluminescence properties of polynapthalenevinylene (PNV) homopolymers and block copolymers by ring–opening metathesis polymerization (ROMP) and study of their photoluminescence properties  

Science Journals Connector (OSTI)

...6-tetrafluorobenzene, 6, reacts with butyl lithium to yield a benzyne intermediate which...second metal halide exchange using butyl lithium at low temperature yielded the lithium adduct. Addition of an excess of alkyl iodide and gradual warming...

1997-01-01T23:59:59.000Z

124

E-Print Network 3.0 - acrylic acid grafted Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

& acronyms 11 PPPP PAA Poly(acrylic acid) PBMA Poly(butyl methacrylate) PE Polyethylene PHEMA Poly... ......

125

An elusive species with many different traits.  

E-Print Network [OSTI]

-Pase detection of HSOH: Synthesis by Flash Vacuum Pyrolysis of ditert-butyl-sulfoxide and rotational- torsional

Giesen, Thomas

126

Dynamics of conserved waters in human Hsp90: implications for drug design  

Science Journals Connector (OSTI)

...43 0.80 3 H H OMe H H n-butyl 3.17 0.88 4 H H OCH2O bridge H n-butyl 0.46 0.78 5 H OMe H H OMe n-butyl 0...F OMe H H OMe 1-pentynyl 0.53 1.25 12 F H OCH2O bridge H n-butyl 0.45 0.53 a RMS: docking result when four...

2008-01-01T23:59:59.000Z

127

Total Synthesis of Amphilectolide, Sandresolide B, Archazolid B and towards Archazolid A and Caribenol A  

E-Print Network [OSTI]

The presence of an excess of lithium chloride acceleratesusing an excess of tert-butyl lithium and trimethylsilyl

Chen, Ingrid T.

2011-01-01T23:59:59.000Z

128

MTBE Production Economics (Released in the STEO April 2001)  

Reports and Publications (EIA)

The purpose of this analysis is to evaluate the causes of methyl tertiary butyl ether (MTBE) price increases in 2000.

2001-01-01T23:59:59.000Z

129

10.1021/ol400424s r 2013 American Chemical Society Published on Web 03/25/2013  

E-Print Network [OSTI]

benzylic substrates is reported with commercially available iron(II) acetylacetonate and Selectfluor Vol. 15, No. 7 1722­1724 Iron(II)-Catalyzed Benzylic Fluorination Steven Bloom, Cody Ross Pitts, Ryan- aration, we turned our attention to prospective iron (1) (a) Bruckl, T.; Baxter, R. D.; Ishihara, Y

Lectka, Thomas

130

Interaction of Tomato Lycopene and Ketosamine against Rat Prostate Tumorigenesis  

Science Journals Connector (OSTI)

...the medium under argon gas and vortexed vigorously...approved by the University of Missouri Animal Care and Use Committee...Sigma Chemical) in peanut oil, daily at 50 mg/kg...propionate (Sigma) in peanut oil/benzyl alcohol/benzyl...analysis procedure of gas-liquid chromatography...

Valeri V. Mossine; Pankaj Chopra; and Thomas P. Mawhinney

2008-06-01T23:59:59.000Z

131

Chiral N-salicylidene vanadyl carboxylate-catalyzed enantioselective aerobic oxidation of ?-hydroxy esters and amides  

Science Journals Connector (OSTI)

...reaction mixture became homogeneous by heating at 80 o C for 15 min and then gradually...96 %) of benzyl mandelate as colorless oil. OH O H N S16 Analytical data for benzyl-aryl...5951. (28) (a) Hughes, A. D.; Price, D. A.; Simpkins, N.l S. J. Chem...

Shiue-Shien Weng; Mei-Wen Shen; Jun-Qi Kao; Yogesh S. Munot; Chien-Tien Chen

2006-01-01T23:59:59.000Z

132

Molybdenum recovery  

SciTech Connect (OSTI)

This patent describes a process for the preparation of propylene oxide and tertiary butyl alcohol. It comprises: propylene and tertiary butyl hydroperoxide are reacted in an epoxidation reaction zone in solution in tertiary butyl alcohol in the presence of a soluble molybdenum catalyst to provide an epoxidation reaction product comprising unreacted propylene, unreacted tertiary butyl hydroperoxide, propylene oxide, tertiary butyl alcohol, dissolved molybdenum catalyst and impurities, including lower aliphatic C{sub 1}-C{sub 4} carboxylic acids, and wherein the epoxidation reaction product is resolved into product fractions in a distillation zone including a distillate propylene fraction.

Meyer, R.A.; Marquis, E.T.

1992-03-31T23:59:59.000Z

133

E-Print Network 3.0 - aryl hydrazide linkers Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

halide aryl triflate or benzyl halide Pd(O), 11CO THF, 180-190oC R11COOH... Carbon Monoxide - For preparation of 11C-labeled primary amides or hydrazides The method is...

134

E-Print Network 3.0 - array fluorescence hplc Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Polypeptides at Amino-Terminal Cysteine Residues Using Cy5-benzyl Thioester Summary: photodiode array absorbance detector. Preparative HPLC was run on a Vydac C4 column (214TP1022,...

135

Progress in transition metal-based enantioselective catalysis  

E-Print Network [OSTI]

In Chapter 1, the first enantioselective cross-coupling reactions of racemic secondary benzylic halides are described (eq 1). This method was applied to the syntheses of intermediates employed by other groups in the ...

Arp, Forrest O

2008-01-01T23:59:59.000Z

136

E-Print Network 3.0 - allylic alkylations added Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

benzyl or allyl halides. s-Alkyl... -chiral center of high optical purity based on the SN2 displace- ment reaction of alkyl cuprates on chiral allyl... A Practical and Highly...

137

E-Print Network 3.0 - asymmetric allylic alkylation Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

benzyl or allyl halides. s-Alkyl... -chiral center of high optical purity based on the SN2 displace- ment reaction of alkyl cuprates on chiral allyl... ) Examples of asymmetric...

138

Chemical behavior of degradation products of tributylphosphate in purex reprocessing  

SciTech Connect (OSTI)

Chemical behavior of butyl nitrate/butyl alcohol, degradation products from dealkylation of tri-n-butylphosphate(TBP) in PUREX reprocessing, which has not so far been reported, was investigated. No accumulation of those compounds in the organic phase of TBP(30%)-dodecane was observed in any separation cycle of PUREX despite the fact that the apparent distribution of the compounds lies to the organic phase at their high concentrations. The distribution of butyl nitrate/butyl alcohol between organic/aqueous phases is found to be dependent on their concentrations and on nitric acid concentration, which could explain the above phenomena. Only butyl nitrate of the above two compounds was slightly detected in the organic streams. It is probable from this investigation that butyl nitrate is removed into aqueous waste stream primarily through alkali scrubber.

Kuno, Y.; Sato, S.; Masui, J. [Power Reactor and Nuclear Fuel Development Corp., Ibaraki (Japan)] [and others

1995-12-01T23:59:59.000Z

139

Nonphosphate Degradation Products of Tributyl Phosphate and Their Reactivities in Purex Media Under Extreme Conditions  

SciTech Connect (OSTI)

The chemical degradation of tributyl phosphate (TBP) in liquid systems, where TBP was in contact with aqueous solutions containing nitric acid and/or uranyl nitrate, was studied experimentally to clarify the mechanisms of the formation and successive reactions of nonphosphate products under atmospheric pressure. Butyl nitrate, propionic acid, acetic acid, butric acid, and butyl alcohol were formed as the nonphosphate butyl products derived from the butyl-groups of TBP in an open system. The total amount of these products almost equals the amount of the major intermediate phosphate products reduced, i.e., di- and monobutyl phosphates and phosphoric acid. Butyl alcohol was found to be the precursor of the other nonphosphate products.Even when the extremely degraded solvent was further contacted with 10 M nitric acid at 90 deg. C, no significant heat evolution was observed at atmospheric pressure. Only butyl alcohol changed into carboxylic acids by exothermic oxidative reactions.

Tashiro, Yoshikazu [Sumitomo Metal Mining Company, Ltd. (Japan); Kodama, Ryuji [Sumitomo Metal Mining Company, Ltd. (Japan); Sugai, Hiroshi [Sumitomo Metal Mining Company, Ltd. (Japan); Suzuki, Katsuhiko [Japan Nuclear Fuel, Ltd. (Japan); Matsuoka, Shingo [Japan Nuclear Fuel, Ltd. (Japan)

2000-01-15T23:59:59.000Z

140

A Novel Method for Separation and Identification of Sulphur Compounds in Naphtha (30–200°C) and Middle Distillate (200–350°C) Fractions of Lloydminster Heavy Oil by GC/MS  

Science Journals Connector (OSTI)

......5-diethylthiophene thiophene diethyl sulphide tetrahydrothiophene ethyl phenyl sulphide naphthalene...benzothiophene dibenzothiophene methyl tetrahydrothiophene methyl tetrahydrothiopyran dimethyl tetrahydrothiophene ethyl butyl sulphide amyl ethyl......

M.A. Poirier; G.T. Smiley

1984-07-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Download  

Science Journals Connector (OSTI)

Aug 6, 1979 ... Photosynthetic bacterial production in lakes: The effects of ... bacterial production of total production .... water was injected into a butyl rubber-.

2000-01-12T23:59:59.000Z

142

E-Print Network 3.0 - allyl methacrylate styrene Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Tetrachloroethylene () Cyclohexanol () Cyclohexanone ()1- 1-Butyl alcohol ()2... ;() Acrolein () Acrylic acid () Allyl zlcohol () Allyl chloride () Allyl glycidyl ether(AGE) ()2-...

143

TABLE33.CHP:Corel VENTURA  

Annual Energy Outlook 2013 [U.S. Energy Information Administration (EIA)]

products are reported by the PAD District of entry. b Includes crude oil imported for storage in the Strategic Petroleum Reserve. c Includes ethyl tertiary butyl ether (ETBE),...

144

TABLE34.CHP:Corel VENTURA  

Gasoline and Diesel Fuel Update (EIA)

products are reported by the PAD District of entry. b Includes crude oil imported for storage in the Strategic Petroleum Reserve. c Includes ethyl tertiary butyl ether (ETBE),...

145

Inhibition of Cell Cycle Kinetics and Proliferation by the Androgen 5?-Dihydrotestosterone and Antiestrogen N,n-Butyl-N-methyl-11-[16??-chloro-3?,17?-dihydroxy-estra-1?,3?,5?-(10?)triene-7??-yl] Undecanamide in Human Breast Cancer ZR-75-1 Cells  

Science Journals Connector (OSTI)

...Phila.), 47: 2319-2326, 1981. 3. Poulin, R., and Labrie, F. Stimulation of...London: McMillan Press, 1981. 8. Poulin, R., M rand,Y., Poirier, D...Endocrinology, 126: 3223-3231. 1989. 11. Poulin. R., Baker, D.. and Labrie. F...

Yvan de Launoit; Sophie Dauvois; Maurice Dufour; Jacques Simard; Fernand Labrie

1991-06-01T23:59:59.000Z

146

Effect of xenobiotics on the respiratory activity of rat heart mitochondria and the concomitant formation of superoxide radicals  

SciTech Connect (OSTI)

The effects of the xenobiotics atrazine, benzene, butylated hydroxyanisole (BHA), butylated hydroxytoluene (BHT), lindane, toluene, and xylenol on the respiration of isolated rate heart mitochondria were studied. Bioenergetic parameters such as respiratory control (RC) and ATP/oxygen (P/O) values decreased considerably in the presence of these substances, and a concomitant increase of superoxide radical (O[sub 2][sup [minus

Stolze, K.; Nohl, H. (Univ. of Vienna (Austria). Inst. of Pharmacology and Toxicology)

1994-03-01T23:59:59.000Z

147

SPME in Environmental Analysis: Biotransformation Pathways  

Science Journals Connector (OSTI)

......SPMEGCMS to study the degradation of ethyl benzene using...methyl-t-butyl ether and its degradation products, t-butyl...food by determining degradation products and other released...Bitumen is a fossil fuel rich in sulfur, which...Aliquots of the cell suspension (2 mL......

Annamaria Halasz; Jalal Hawari

2006-08-01T23:59:59.000Z

148

2D Kagom´e ordering in the 3D frustrated spinel Li2Mn2O4  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

12.5 ml of 16 M n-butyl lithium in 40 ml of sodium-dried hexane. This provides a slight excess of n-butyl lithium. After gentle heating at 40 C for 5 days, the final product...

149

Inhibition of biofilm formation and swarming of Bacillus subtilis by (5Z)-4-bromo-5-(bromomethylene)-  

E-Print Network [OSTI]

)- 3-butyl-2(5H)-furanone D. Ren1 , J.J. Sims2 and T.K. Wood1 1 Departments of Chemical Engineering. REN, J.J. SIMS AND T.K. WOOD. 2002. Aims: (5Z)-4-Bromo-5-(bromomethylene)-3-butyl-2(5H

Wood, Thomas K.

150

Desorption of carbon monoxide from nickel using mercaptans  

SciTech Connect (OSTI)

An IR spectroscopic study on the displacement of carbon monoxide with 1-propyl, 2-propyl-, 1-butyl-, 2-butyl-, and tert.-butyl mercaptan from nickel foil and silica-supported nickel showed that at low carbon monoxide coverage on supported nickel, mercaptan adsorption initially converted bridged to linear carbon monoxide surface species. At higher mercaptan pressures, carbon monoxide desorbed into the gas phase. A small amount of carbon monoxide remained on the surface when the poisoned sample was evacuated, and additional carbon monoxide adsorbed when 5 mm Hg of carbon monoxide was added to the evacuated sample.

Neff, L.D.; Sturdivant, A.E.; Wallace, J.L.

1980-06-01T23:59:59.000Z

151

APPENDXD.CHP:Corel VENTURA  

Gasoline and Diesel Fuel Update (EIA)

Report The Form EIA-819, "Monthly Oxygenate Report" provides production data for fuel ethanol and methyl tertiary butyl ether (MTBE). End-of-month stock data held at ethanol...

152

The feasibility of ethanol production in Texas  

E-Print Network [OSTI]

Agricultural interests across Texas are looking at the possibility of an ethanol industry in Texas. Continued conflict in the Middle East, the ban of methyl tertiary butyl ether (MTBE) in California, and low commodity prices have all lead...

Herbst, Brian Keith

2012-06-07T23:59:59.000Z

153

Verification of the need for optical purity measurement of chiral pesticide standards as agricultural reference materials  

Science Journals Connector (OSTI)

In this study, optical purity measurement was performed on eight kinds of commercially available pesticide, namely, Dimethenamid-P, Dichlorprop-P, Fluazifop-P butyl, Indoxacarb, Metalaxyl-M, Mecoprop-P, Quizal...

Koichi Saito; Masakazu Yato; Takeshi Ito…

2008-07-01T23:59:59.000Z

154

Synthesis and elaboration of polyethylene surfaces modified via anionic grafting chemistry  

E-Print Network [OSTI]

) was grafted to polyethylene films using these initiators. Hydrolysis of poly(tert-butyl acrylate) grafted polyethylene films led to a poly(acrylic acid) grafted polyethylene surfaces. Characterization of the grafted films by surface selective techniques...

Bandella, Ashok Krishangopal

2012-06-07T23:59:59.000Z

155

Soluble hyperbranched grafts on polyethylene surfaces  

E-Print Network [OSTI]

Here we report two methods to synthesize hyperbranched poly(acrylic acid) grafts on polyethylene films and powders. The previously reported route using ?,[]-diaminopoly(tert-butyl acrylate) was repeated and all previous results were confirmed...

Britton, Danielle M

2012-06-07T23:59:59.000Z

156

High-resolution infrared measurements on HSOH: Analysis of the OH fundamental vibrational mode  

E-Print Network [OSTI]

-wave spectroscopy on HSOH and H34 SOH [1]. The authors used flash vacuum pyrolysis of di-tert-butyl sulfoxide] identified five of six fundamental vibrational modes of matrix isolated HSOH formed by pyrolysis of di

Giesen, Thomas

157

Combination Scattering Meter and Fluorometer  

E-Print Network [OSTI]

-butyl tin (TBT), marine anti- fouling paint, ablative coatings, etc. Please ensure any anti beyond the normal wear and tear of field deployment, or in the event the pressure cans have been opened

Boss, Emmanuel S.

158

A BRIEF HISTORY OF INDUSTRIAL CATALYSIS  

E-Print Network [OSTI]

More recently, Air Products and Chemicals Corporation hasProcess Division of Air Products & Chemicals, Inc. HC Q)air oxidation of isobutane. T-butyl alcohol is a co- product

Heinemann, Heinz

2013-01-01T23:59:59.000Z

159

Metal catalyzed copolymerization processes involving carbon oxides as substrates  

E-Print Network [OSTI]

backbone and electron donating tert-butyl groups in the phenolate rings. This catalyst was used to investigate the effect of altering the nature of the cocatalyst and its concentration. The coupling of carbon monoxide and aziridines has been shown...

Phelps, Andrea Lee

2005-11-01T23:59:59.000Z

160

Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings  

E-Print Network [OSTI]

capability of organo-modified nanoclay offered significantnBA n-butyl acrylate NC natural nanoclay NR natural rubberOC organically modified nanoclay PA6 polyamide 6 (nylon 6)

Love, Corey T.

2008-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Download Full-text PDF  

Science Journals Connector (OSTI)

Production of the compounds ... leased. The rates of CHBr3 and C2H2Br2 production were neg- ... with PTFE-coated butyl rubber seals were equilibrated in the.

1999-07-01T23:59:59.000Z

162

Selectivity Changes During Organic Photooxidation on TiO2: Role...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

but the t-butyl radical has several options for thermal chemistry. In ultrahigh vacuum (UHV), where the O2 partial pressure is <1x10-10 torr, the TMA photodecomposition results...

163

Tribological Properties of Ionic Liquids Lubricants Containing Nanoparticles  

E-Print Network [OSTI]

is to describe the tribological and rheological properties of mixtures of nanoparticles (NPs) and ionic liquids (ILs), specifically the mixture of bare SiO_(2) (silica) nanoparticles and ionic liquid 1-butyl-3-methylimidazolium (trifluoromethysulfony...

Lu, Wei

2014-05-14T23:59:59.000Z

164

E-Print Network 3.0 - anhydride-vinyl methyl ether Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

4-Methyl-2-pentanol Other secondary alcohols... - quire handling with precautions. Acrolein tert-Butyl methyl ether Di(1-propynl) ether n... Methoxy-1,3,5,7- cyclooctatetraene...

165

Chiral Separations by High-Performance Liquid Chromatography  

Science Journals Connector (OSTI)

......epoxides 76 Scheme 5. Synthesis of oxazolidone CSP...microcrystalline cellulose tri acetate (CTA) can be used...sparteine-n- butyl lithium catalyst. This led...in stere oselective synthesis coupled with ingenious...methods, Asymmetric Synthesis, 1: 87224 (1983......

David R. Taylor; Kevin Maher

1992-03-01T23:59:59.000Z

166

(front end fuel cycle) 2.1 (CANDU  

E-Print Network [OSTI]

.2.1. , , , , . UNH(Uranyl Nitrate Hexahydrate) . UNH TBP(Tri-Butyl Phosphate) TBP . TBP UNH . UNH ADU(Ammonium Diuranate) AUC(Ammonium Uranyl Carbonate) UO2 . #12; UO2 3.3% U

Hong, Deog Ki

167

Permanently charged tamoxifen derivatives: Chemical characterization, transcriptional activity, and biological effects  

Science Journals Connector (OSTI)

...methyl iodide, methyl bromide, ethyl bromide, isopropyl bromide, propyl bromide and butyl bromide) were obtained by SN2 reaction. Chemical structures were determined by NMR, electron microscopy and X-Ray diffraction. Biological effects: Binding...

Claudia Rivera Guevara; Rocio Garcia; Fernando Larrea; Martha S. Morales-Rios; Elizabeth Hermandez-Gallegos; David Barrera; Sandra Valencia; Victor Perez; and Javier Camacho

2007-11-01T23:59:59.000Z

168

TOXICOLOGY AND APPLIED PHARMACOLOGY 81,2 13-2 19 ( 1985) Role of Extracellular Ca*+ in Toxic Liver Injury: Comparative Studies  

E-Print Network [OSTI]

perfused liver and isolated hepatocytes. The toxins t-butyl- hydroperoxide and carbon tetrachloride on extracellular Ca2+ for cytotoxic injury to cultured hepato- cytes caused by carbon tetrachloride (CC&) and 2

California at Berkeley, University of

169

A PROTEOMIC STUDY OF OXIDATIVE STRESS IN ALCOHOLIC LIVER DISEASE  

E-Print Network [OSTI]

to oxidative stress with tert-butyl hydroperoxide (TBHP) contained 17% less carbonylated proteins than the non-fat loaded control. Mass spectrometric analysis of carbonylated proteins indicated that known classical markers of protein carbonylation (e...

Newton, Billy W.

2010-01-16T23:59:59.000Z

170

Method for cleaning solution used in nuclear fuel reprocessing  

DOE Patents [OSTI]

Nuclear fuel processing solution consisting of tri-n-butyl phosphate and dodecane, with a complex of uranium, plutonium, or zirconium and with a solvent degradation product such as di-n-butyl phosphate therein, is contacted with an aqueous solution of a salt formed from hydrazine and either a dicarboxylic acid or a hydroxycarboxylic acid, thereby removing the aforesaid complex from the processing solution.

Tallent, O.K.; Crouse, D.J.; Mailen, J.C.

1980-12-17T23:59:59.000Z

171

The organization of cholesteric spherulites Y. Bouligand and F. Livolant  

E-Print Network [OSTI]

with different polymers of biolo- gical interest : synthetic polypeptides (PBLG), nucleic acids (DNA. Spherical nematic germs were also studied by these authors. More recent works on synthetic poly- peptides- examined the synthetic polypeptide studied by Robin- son [3, 6], namely poly-y-benzyl-L-glutamate, forming

Paris-Sud XI, Université de

172

Microbial synthesis of core/shell gold/palladium nanoparticles for applications in green chemistry  

Science Journals Connector (OSTI)

...environmental pollutants [9], green chemistry/catalysis (e...14 Enache, D. I. , 2006 Solvent-free oxidation of primary...and G. J. Hutchings 2007 Solvent-free oxidation of benzyl alcohol...nanoparticles for applications in green chemistry. | We report a novel...

2012-01-01T23:59:59.000Z

173

Local Delivery of Basic Fibroblast Growth Factor (bFGF) Using Adsorbed Silyl-heparin,  

E-Print Network [OSTI]

Local Delivery of Basic Fibroblast Growth Factor (bFGF) Using Adsorbed Silyl-heparin, Benzyl-heparin, a chemically modified analogue of heparin. The silyl-heparin was adsorbed onto surfaces by hydrophobic interaction via the prosthetic unit and can then be used as a solid-phase adsorbent for bFGF. All the coating

Homes, Christopher C.

174

Quantitative Gas Chromatographic Analysis of [1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazole-2-one], the Basic Metabolite of Bezitramide (Burgodin®), in Human Urine  

Science Journals Connector (OSTI)

......high extraction recovery was achieved, and...internal standard: I. condensation between 1-benzyl-3-carb...diluting further with water to 100 mL. Standard...hydrogen gas under atmospheric pressure over I...ofthe extraction recovery at the sixcon...The extraction recovery was then calculated......

Siegrid M. De Baere; Willy E. Lambert; André P. De Leenheer

1998-01-01T23:59:59.000Z

175

Decarboxylative Arylation of Amino Acids via Photoredox Catalysis: A One-Step Conversion of Biomass to Drug  

E-Print Network [OSTI]

Decarboxylative Arylation of Amino Acids via Photoredox Catalysis: A One-Step Conversion of Biomass. This method offers rapid entry to prevalent benzylic amine architectures from an abundant biomass the worldwide abundance of biomass6 that incorporates carboxylate functionality (e.g., amino acids, -hydroxy

MacMillan, David W. C.

176

Random and Sequential Radical Cotelomerizations of 3,3,3-Trifluoropropene (TFP, H2C=CHCF3) with Vinylidene  

E-Print Network [OSTI]

is quite reactive in contrast to longer perfluorinated chain vinyl-type monomers (e.g. CnF2n+1-CH=CH2, benzyl chloride, under redox complexes (e.g. Fe(CO)5), UV or gamma rays initiatons.7-19 In addition

Paris-Sud XI, Université de

177

Original article Sorption and degradation of tebutam in soil  

E-Print Network [OSTI]

Original article Sorption and degradation of tebutam in soil under controlled laboratory conditions-benzyl-N-isopropylpivalamide) sorption and degradation in the surface level (0­20 cm) of a brown silty clay soil. All the experiments. The sorption process was evaluated by adsorption kinetics, adsorption and desorption isotherms using a batch

Boyer, Edmond

178

Effect of Feed-Stream Configuration on Gas-Phase Chlorination Reactor Performance  

E-Print Network [OSTI]

that is mixed with pure chlorine. The product mixture also contains carbon tetrachloride (which is the competing. Introduction Chlorinated hydrocarbons are an important class of industrial chemicals. Chloroform, carbon tetrachloride, allyl chloride, benzyl chloride, and trichloroethene are some of the common products that belong

Raman, Venkat

179

Non-phosphate degradation products of tributyl phosphate  

SciTech Connect (OSTI)

Tributyl phosphate(TBP) was compulsively degraded with nitric acid and/or uranium nitrate at elevated temperature around 105{degrees}C. Experimental results indicates major non-phosphate degradation products are butyl nitrate (C{sub 4}H{sub 9}NO{sub 3}), propionic acid (C{sub 2}H{sub 5}COOH), acetic acid (CH{sub 3}COOH), butyric acid (C{sub 3}H{sub 7}COOH) and butyl alcohol (C{sub 4}H{sub 9}OH) in ascending order of quantity. Degrading rate in uranium free system is less than that in uranium coexisting system. Carboxylic acids were not produced in uranium free system, and only acetic acid was identified in case of without supplying nitric acid from aqueous phase. Moreover, from the experimental study on the reactivity of each non-phosphate product with nitric acid, carboxylic acids were identified as byproducts of butyl alcohol and butyl nitrate, and each carboxylic acid was stable in these degrading conditions. Finally, butyl alcohol is considered as one of intermediate products to butyl nitrate and carboxylic acids. From this study, the non-phosphate degradation products of TBP is identified and the degrading reaction pass is proposed. Extraction behavior of each non-phosphate product and reactivity of degraded TBP are also elucidated.

Tashiro, Y.; Kodama, R.; Sugai, H. [Japan Nuclear Fuel Ltd., Aomori (Japan)] [and others

1995-12-01T23:59:59.000Z

180

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

Ethanol Plant Production Ethanol Plant Production Definitions Key Terms Definition Barrel A unit of volume equal to 42 U.S. gallons. Fuel Ethanol An anhydrous alcohol (ethanol with less than 1% water) intended for gasoline blending as described in the Oxygenates definition. Oxygenates Substances which, when added to gasoline, increase the amount of oxygen in that gasoline blend. Ethanol, Methyl Tertiary Butyl Ether (MTBE), Ethyl Tertiary Butyl Ether (ETBE), and methanol are common oxygenates. Fuel Ethanol: Blends of up to 10 percent by volume anhydrous ethanol (200 proof) (commonly referred to as the "gasohol waiver"). Methanol: Blends of methanol and gasoline-grade tertiary butyl alcohol (GTBA) such that the total oxygen content does not exceed 3.5 percent by weight and the ratio of methanol to GTBA is less than or equal to 1. It is also specified that this blended fuel must meet ASTM volatility specifications (commonly referred to as the "ARCO" waiver).

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers  

Science Journals Connector (OSTI)

Vapour pressures of methyl propyl, isopropyl methyl, butyl methyl, ethyl propyl, t-butyl methyl, dipropyl, di-isopropyl, di-t-butyl, and decyl methyl ethers were measured at pressures up to 205 kPa. The measured values were fitted by Antoine and by Chebyshev equations, values already published from this laboratory for three aromatic ethers were recomputed uniformly with the present results, and published values for four additional compounds were incorporated in a scheme for correlation of the vapour pressures of ethers. Estimates were made of the vapour pressures of 10 other ethers. Between 5 and 200 kPa the vapour pressures of ethers may be represented by a single equation in which carbon number or an effective carbon number is a parameter. Chebyshev equations are given for interpolation between the upper bounds of the measurements and the critical pressures of 11 ethers for which this property has been previously determined.

D Ambrose; J.H Ellender; C.H.S Sprake; R Townsend

1976-01-01T23:59:59.000Z

182

Electrochromic Salts, Solutions, and Devices  

DOE Patents [OSTI]

Electrochromic salts. Electrochromic salts of dicationic viologens such as methyl viologen and benzyl viologen associated with anions selected from bis(trifluoromethylsulfonyl)imide, bis(perfluoroethylsulfonyl)imide, and tris(trifluoromethylsulfonyl)methide are produced by metathesis with the corresponding viologen dihalide. They are highly soluble in molten quarternary ammonium salts and together with a suitable reductant provide electrolyte solutions that are used in electrochromic windows.

Burrell, Anthony K. (Los Alamos, NM); Warner, Benjamin P. (Los Alamos, NM); McClesky, T. Mark (Los Alamos, NM)

2008-10-14T23:59:59.000Z

183

Electrochromic Salts, Solutions, and Devices  

DOE Patents [OSTI]

Electrochromic salts. Electrochromic salts of dicationic viologens such as methyl viologen and benzyl viologen associated with anions selected from bis(trifluoromethylsulfonyl)imide, bis(perfluoroethylsulfonyl)imide, and tris(trifluoromethylsulfonyl)methide are produced by metathesis with the corresponding viologen dihalide. They are highly soluble in molten quarternary ammonium salts and together with a suitable reductant provide electrolyte solutions that are used in electrochromic windows.

Burrell, Anthony K. (Los Alamos, NM); Warner, Benjamin P. (Los Alamos, NM); McClesky, T. Mark (Los Alamos, NM)

2008-11-11T23:59:59.000Z

184

Electrochromic salts, solutions, and devices  

DOE Patents [OSTI]

Electrochromic salts. Electrochromic salts of dicationic viologens such as methyl viologen and benzyl viologen associated with anions selected from bis(trifluoromethylsulfonyl)imide, bis(perfluoroethylsulfonyl)imide, and tris(trifluoromethylsulfonyl)methide are produced by metathesis with the corresponding viologen dihalide. They are highly soluble in molten quarternary ammonium salts and together with a suitable reductant provide electrolyte solutions that are used in electrochromic windows.

Burrell, Anthony K. (Los Alamos, NM); Warner, Benjamin P. (Los Alamos, NM); McClesky,7,064,212 T. Mark (Los Alamos, NM)

2006-06-20T23:59:59.000Z

185

A chemical investigation into the catalytic site of aspartate transcarbamylase  

E-Print Network [OSTI]

procedures have been developed for the prep- aration of tribenzyl phosphite. One calls for the 16 direct reaction of phosphorus trichloride with excess benzyl alcohol in the presence of tertiary amine, and a 17 more recent procedure calls... alcohol with tris(dimethylamino)phosphine. The latter compound can be prepared by reacting phosphorus trichloride with a two-fold excess of dimethylamine, at below -10'. Burgada reported a b. p. of 51-55' (15 mm) 18 10 for this compound. The author...

Kaeder, Gerald Raymond

2012-06-07T23:59:59.000Z

186

Advanced thermally stable jet fuels. Technical progress report, April 1994--June 1994  

SciTech Connect (OSTI)

Research continued on coal-based, thermally stable, jet fuels. Significant progress has been made on the detection of polycyclic aromatic hydrocarbons present in highly stressed fuels, using high-performance liquid chromatography (HPLC) with diode-array detection. Gas chromatography is not able to detect compounds with {>=}6 fused aromatic rings, but such compounds can be identified using the HPLC method. The concentration of such compounds is low in comparison to aromatics of 1-3 rings, but the role of the large compounds in the formation of solid deposits may be crucial in determining the thermal stability of a fuel. The unusual properties of fluid fuels in the near-critical region appear to have significant effects on their thermal decomposition reactions. This issue has been investigated in the present reporting period using n-tetradecane as a model compound for fuel decomposition. Temperature-programmed retention indices are very useful for gas chromatographic and gas chromatography/mass spectrometric analysis of coal and petroleum derived jet fuels. We have demonstrated this in the identification of components in two JP-8 fuels and their liquid chromatographic fractions. The role of activated carbon surfaces as catalysts in the thermal stressing of jet fuel was investigated using n-dodecane and n-octane as model compounds. In some cases the reactions were spiked with addition of 5% decalin to test the ability of the carbon to catalyze the transformation of decalin to naphthalene. We have previously shown that benzyl alcohol and 1,4-benzenedimethanol are effective stabilizers at temperatures {>=}400{degrees}C for jet fuels and the model compound dodecane. The addition of ethanol to hydrocarbon/benzyl alcohol mixtures has a significant effect on the thermal stabilization of jet fuels above 400{degrees}C. Ethanol appears to function by reducing the benzaldehyde formed during the degradation of the benzyl alcohol. This reduction regenerates the benzyl alcohol.

Schobert, H.H.; Eser, S.; Song, C. [and others

1994-07-01T23:59:59.000Z

187

The preparation and characterization of linear and cross-linked poly(fluorenyl)  

SciTech Connect (OSTI)

Retrogressive reactions in coal processing are that class of reactions that lead to the formation of high molecular weight materials that are more intractable than those present in the coal prior to processing. This outcome almost always is regarded as deleterious. The present work focuses on the characterization of the acid-catalyzed polymerization of benzylic fluorides, and in particular the synthesis of poly(fluorenyl), as an example of the type of chemistry that may occur in the cross-linked organic matrix of coals when in contact with strong acids. Solution and solid state {sup 13}C NMR spectroscopy was used to characterize the soluble and insoluble polymers. The change in the value of the fraction of aromatic carbon that is protonated is the criterion used to monitor the extent of cross-linking in these polymer preparations. Benzylic fluorides are sensitive substances, prone to further reaction via acid catalyzed heterolytic scission of the C-F bond. The electron deficient reactive intermediate formed in this reaction undergoes electrophilic aromatic substitution. This reaction can be started with catalytic traces of acid and is self-sustaining as HF is generated in equivalent concentrations as the reaction proceeds. The relevance of this naturally non-occurring functional group in coal processing stems from the similar reaction pathway followed by both benzylic fluorides and benzylic alcohols. In the coal matrix, the operation of two exogenous processes--air oxidation and strong acid treatment of the coal (demineralization) creates a situation in which the polymerization discussed herein may occur in the coal. In addition to the polymerization reactions that produce poly(fluorenyl), the subsequent cross-linking of the linear polymer is also reported. In subsequent work, similar chemistry will be applied to soluble lignin as a model more similar to low rank coals.

Hagaman, E.W.; Lee, S.K. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

1997-03-01T23:59:59.000Z

188

Reactivity of tributyl phosphate degradation products with nitric acid: Relevance to the Tomsk-7 accident  

SciTech Connect (OSTI)

The reaction of a degraded tributyl phosphate (TBP) solvent with nitric acid is thought to have caused the chemical explosion at the Tomsk-7 reprocessing plant at Tomsk, Russia in 1993. The estimated temperature of the organic layer was not high eneough to cause significant reaction of nitric acid with TBP or hydrocarbon diluent compounds. A more reactive organic compound was likely present in the organic layer that reacted with sufficient heat generation to raise the temperature to the point where an autocatalytic oxidation of the organic solvent was initiated. Two of the most likely reactive compounds that are present in degraded TBP solvents are n-butanol and n-butyl nitrate. The reactions of these compounds with nitric acid are the subject of this study. The objective of laboratory-scale tests was to identify chemical reactions that occur when n-butanol and n-butyl nitrate contact heated nitric acid solutions. Reaction products were identified and quantitified, the temperatures at which these reactions occur and heats of reaction were measured, and reaction variables (temperature, nitric acid concentration, organic concentration, and reaction time) were evaluated. Data showed that n-butyl nitrate is less reactive than n-butanol. An essentially complete oxidation reaction of n-butanol at 110-120 C produced four major reaction products. Mass spectrometry identified the major inorganic oxidation products for both n-butanol and n-butyl nitrate as nitric oxide and carbon dioxide. Calculated heats of reaction for n-butanol and n-butyl nitrate to form propionic acid, a major reaction product, are -1860 cal/g n-butanol and -953 cal/g n-butyl nitrate. These heats of reaction are significant and could have raised the temperature of the organic layer in the Tomsk-7 tank to the point where autocatalytic oxidation of other organic compounds present resulted in an explosion.

Barney, G.S.; Cooper, T.D. [Westinghouse Hanford Company, Richland, WA (United States)

1995-12-31T23:59:59.000Z

189

Synthesis and Opioid Activity of [d-Pro10]Dynorphin A-(1?11) Analogues with N-Terminal Alkyl Substitution  

Science Journals Connector (OSTI)

Tyrosine tert-butyl ester (0.5?1.0 g, Sigma Chemical Co., St. Louis, MO) was dissolved in DMF (2 mL/mmol TyrOtBu), and N,N-diisopropylethylamine (DIEA, 2.5 equiv) was added to the solution dropwise, followed by alkyl bromide (6?7 equiv). ... The tert-butyl group was cleaved as described above and the free acid crystallized from Et2O (142 mg, 20%):? mp 243?244 °C; FAB-MS 222 (M + 1); HPLC tR = 3.6 min (99% purity). ...

Heekyung Choi; Thomas F. Murray; Gary E. DeLander; William K. Schmidt; Jane V. Aldrich

1997-08-15T23:59:59.000Z

190

Radioisotope Thermoelectric Generator Package O-Ring Seal Material Validation Testing  

SciTech Connect (OSTI)

The Radioisotope Thermoelectric Generator Package O-Ring Seal Material Validation Test was conducted to validate the use of the Butyl material as a primary seal throughout the required temperature range. Three tests were performed at (1) 233 K ({minus}40 {degrees}F), (2) a specified operating temperature, and (3) 244 K ({minus}20 {degrees}F) before returning to room temperature. Helium leak tests were performed at each test point to determine seal performance. The two major test objectives were to establish that butyl rubber material would maintain its integrity under various conditions and within specified parameters and to evaluate changes in material properties.

Adkins, H.E.; Ferrell, P.C.; Knight, R.C.

1994-09-30T23:59:59.000Z

191

Metal–organic frameworks of the MIL-101 family as heterogeneous single-site catalysts  

Science Journals Connector (OSTI)

...of hydrocarbons with green oxidants-O2 and tert-butyl...resistance to common solvents and thermal stability...dAcetone was used as solvent. Table 4. Cyclic carbonate...and Y. Ikushima 2008 Solvent-free allylic oxidation...as starting material. Green Chem 5, 497-507...

2012-01-01T23:59:59.000Z

192

Mechanisms of growth inhibition induced by methylene-substituted and ring-substituted dims in breast cancer cells  

E-Print Network [OSTI]

-MB-231 and MDA-MB-453 breast cancer cell growth was inhibited after treatment with a novel series of methylenesubstituted DIMs (C-DIMs), namely 1,1-bis(3’-indolyl)-1-(p-substitutedphenyl) methanes containing trifluoromethyl (DIM-C-pPhCF3), t-butyl (DIM...

Vanderlaag, Kathryn Elisabeth

2009-05-15T23:59:59.000Z

193

Fatty Acids from Plasmodium falciparum Down-Regulate the Toxic Activity of Malaria Glycosylphosphatidylinositols  

Science Journals Connector (OSTI)

...PI) and less sphingomyelin than the plasma membrane of normal uninfected erythrocytes...volume) by sonication (Branson 3200; 47 MHz), and recovered in the n-butyl alcohol...medium, and incubated at 37C in a 5% CO2 atmosphere for 24 h with medium containing the molecules...

Françoise Debierre-Grockiego; Louis Schofield; Nahid Azzouz; Jörg Schmidt; Cristiana Santos de Macedo; Michael A. J. Ferguson; Ralph T. Schwarz

2006-10-01T23:59:59.000Z

194

Cytoprotective Effects of Dietary Fatty Acids on Oxidative Stress in Hepatocytes  

E-Print Network [OSTI]

common dietary fatty acids to subsequent inflammation and stress. Hepatocytes (HepG2 cell line) were treated with oleic, linoleic and palmitic acid at different concentrations and exposed to the pro-oxidant tert-butyl hydroperoxide (t-BHP) to induce...

Richardson, Thomas C

2012-07-11T23:59:59.000Z

195

E-Print Network 3.0 - alkyl-tert alkyl ethers Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

> >> 1 7198 J. Org. Chem. 1995,60, 7198-7208 Gas Phase Decomposition of Conjugate Acid Ions of Simple Summary: of ProtonatedAlkyl tert-ButylEthers RO(H)C(CH&+ (To.6 Values in meV...

196

Simultaneous Efficiency, NOx, and Smoke Improvements through Diesel/Gasoline Dual-Fuel Operation in a Diesel Engine  

E-Print Network [OSTI]

or liquefied petroleum gas, natural gas, biogas, hydrogen, and alcohols such as methanol, ethanol, iso-propanol, and n-butanol), and fuel additives (MTBE or methyl tertiary-butyl ether, H2O2 or hydrogen peroxide, 2-EHN or ethylhexyl nitrate and DTBP or di...

Sun, Jiafeng

2014-08-05T23:59:59.000Z

197

Drinking Water Problems: MTBE  

E-Print Network [OSTI]

Methyl tertiary-butyl ether, a gasoline additive commonly known as MTBE, can contaminate ground water and cause health problems for those exposed to it for a long time. However, filtering devices can remove this and other additives from well water...

Dozier, Monty; Lesikar, Bruce J.

2008-08-28T23:59:59.000Z

198

An investigation of the burning rates of thin films of some selected composite propellants  

E-Print Network [OSTI]

Ammoni a/Perch 1 ori c Aci d Aluminum Atmospheres butyl Acetate Carbon Glass Cyclo tetramethylenetetrani tr amine L ad Azide IicCormick-Selph Methyl Fthyl Ketone IIitrocelIulose Oxidizer/Fue'I x-104, x-164 NcCormick-Selph material 300, 104...

Sawyer, Miles Lee

1970-01-01T23:59:59.000Z

199

A recoverable versatile photo-polymerization initiator catalyst  

E-Print Network [OSTI]

A photo-polymerization initiator based on an imidazolium and an oxometalate, viz., (BMIm)2(DMIm) PW12O40 (where, BMIm = 1-butyl-3-methylimizodium, DMIm = 3,3'-Dimethyl-1,1'-Diimidazolium) is reported. It polymerizes several industrially important monomers and is recoverable hence can be reused. The Mn and PDI are controlled and a reaction pathway is proposed.

Chen, Dianyu; Roy, Soumyajit

2012-01-01T23:59:59.000Z

200

Analysis of Steam Heating of a Two-Layer TBP/N-Paraffin/Nitric Acid Mixtures  

SciTech Connect (OSTI)

This report presents an analysis of steam heating of a two-layer tri-n-butyl phosphate (TBP)/n-paraffin-nitric acid mixture.The purpose of this study is to determine if the degree of mixing provided by the steam jet or by bubbles generated by the TBP/nitric acid reaction is sufficient to prevent a runaway reaction.

Laurinat, J.E. [Westinghouse Savannah River Company, AIKEN, SC (United States); Hassan, N.M.; Rudisill, T.S.; Askew, N.M.

1998-07-22T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Electrolysed palladium has the potential to increase methane production by a mixed rumen population in vitro  

E-Print Network [OSTI]

Electrolysed palladium has the potential to increase methane production by a mixed rumen population the proportion of protozoa with attached methanogens decreased, however no estimate of CH4 production under were re-filled with H2:CO2, sealed with butyl rubber stoppers and incubated at 39�C with shaking

Paris-Sud XI, Université de

202

Features of gadolinium and ytterbium extraction by tributyl phosphate from concentrated nitric acid solutions. I. Compositions of extracted complexes  

SciTech Connect (OSTI)

Distribution of macroquantity (0.3-1.3 M) of Gd and Yb between neat tri-n-butyl phosphate (TBP) and 5-12 M nitric acid solutions has been studied. The species extracted by TBP from 7-12 M nitric acid solutions are rare-earth metal (REM) nitrate trisolvates containing one or several nitric molecules.

Nikitna, G.P.; Seredkina, N.V.; Listopadov, A.A. [Khlopin Radium Institute, St. Petersburg (Russian Federation)

1995-01-01T23:59:59.000Z

203

Role of Volatilization in Changing TBA and MTBE Concentrations at  

E-Print Network [OSTI]

a low affinity for gasoline (low Kfw, Table 1). Therefore, minute amounts of TBA in the MTBE blended tertiary butyl ether (MTBE) added to gasoline. Frequent observations of high TBA, and especially rising TBA/MTBE concentration ratios, in groundwater at gasoline spill sites are generally attributed to microbial conversion

204

Water Research 37 (2003) 37563766 Seasonal and daily variations in concentrations of methyl-  

E-Print Network [OSTI]

by volume to gasoline from November to February, and blending 11% MTBE by volume during the rest of the year; accepted 24 March 2003 Abstract Methyl-tertiary-butyl ether (MTBE), an additive used to oxygenate gasoline of gasoline-powered watercraft. This paper documents and explains both seasonal and daily variations in MTBE

Toran, Laura

205

Investigation of the Performance and Emission Characteristics of Biodiesel Fuel Containing Butanol under the Conditions of Diesel Engine Operation  

Science Journals Connector (OSTI)

(17) However, emissions of engines fueled with multicomponent fuels containing fossil diesel, butanol, and rapeseed oil butyl/methyl esters have not been tested. ... Break specific fuel consumption when engine is fuelled with fossil diesel fuel (n = 1500 min?1). ... For all cases, engine torque was retained the same by adjusting fueling rate. ...

Sergejus Lebedevas; Galina Lebedeva; Egle Sendzikiene; Violeta Makareviciene

2010-07-23T23:59:59.000Z

206

War on Weeds  

Science Journals Connector (OSTI)

...4,5-T, Sizz-weeder, mechanical shredder, 2,4-dinitro-6-sec-butyl phenol...killers. To avoid chronic injury only light-weight oils are used. The best are...accepting a lot and the true quality (fraction defective) of the lot. For most sampling...

E. M. Hildebrand

1946-04-19T23:59:59.000Z

207

High-spin polymeric arylamines  

Science Journals Connector (OSTI)

...polymer 14 could be doped with a large excess of reagent without bipolaron formation...chloroform was oxidized with a 20-fold excess of powdered NOBF4. The UV spectrum of...rigorously dry conditions, n-butyl lithium in hexane (24.5 cm3 , 1.6 M, 37...

1999-01-01T23:59:59.000Z

208

Copyright H. J. Reich 2002 ORGANIC CHEMISTRY ACRONYMS  

E-Print Network [OSTI]

-t-butyl-4-methylphenol) BINALH Lithium 2,2'-dihydroxy-1,1'-binaphthylethoxyaluminum hydride BINAP 2,2'-Bis(p-chlorophenyl)-2,2,2-trichloroethane de Diastereomeric excess DEADCAT Diethyl Azodicarboxylate DET Diethyl Tartrate (opposite, trans) E Methoxycarbonyl CO2CH3 EDTA Ethylenediaminetetraacetic acid ee Enantiomeric Excess EE 1

Meagher, Mary

209

Critical Reviews in Environmental Science and Technology, 00(0):000000 (2001) 1064-3389/01/$.50  

E-Print Network [OSTI]

-3389/01/$.50 © 2001 by CRC Press LLC The Transport and Fate of Ethanol and BTEX in Groundwater Contaminated by Gasohol water contamination by methyl tert-butyl ether (MTBE) have made policymakers more cognizant of the need). It has been discovered that MTBE is a ubiquitous contaminant in surface and ground waters throughout

Alvarez, Pedro J.

210

Adsorption and desorption of atrazine on a melamine-based soil amendment  

E-Print Network [OSTI]

Adsorption kinetics and adsorption-desorption of atrazine on organoclay composites prepared with the surfactant 6-piperazin-1-yl-N,N'-bis-(1,1,3,3-tetramethyl-butyl)-(1,3,5)triazine-2,4-diamine and Houston Black clay were studied using the indirect...

Neitsch, Susan Lynn

2004-09-30T23:59:59.000Z

211

Initial-phase optimization for bioremediation of munition compound-contaminated soils.  

Science Journals Connector (OSTI)

...the aqueous phase and washing of the residue with methanol...COMPOUND-CONTAMINATED SOIL 2175 TABLE 1. '4C label...1992. Bioremediation of soils contaminated with 2-sec-butyl-4...6-Trinitrotoluene- surfactant complexes: decomposition, mutagenicity, and soil leaching studies. Environ...

S B Funk; D J Roberts; D L Crawford; R L Crawford

1993-07-01T23:59:59.000Z

212

Bibliography and Index of the Literature on Gas Chromatography—1964 November 1, 1963 to November 1, 1964  

Science Journals Connector (OSTI)

......CHROMATOG- RAPHY AND GAS-LIQUID CHROMATOGRA...Meyer, A. S., AEC Report ORNL-3619 for period...May 1964) 215 GAS-LIQUID CHROMATOGRAPHIC...6-DI-tert-BUTYL- p-CRESOL IN TURBINE OILS, Braithwaite...July 1964) 757 GAS CHROMATOGRAPHY OF...Sweeley, C. C., Progress in the Chemistry......

Mignon Gill; Seaton T. Preston; Jr.

1964-12-01T23:59:59.000Z

213

Rapid optical method for logging dust concentration versus depth in glacial ice  

E-Print Network [OSTI]

to a cable that can lower the device down a 3-in. 7.5-cm borehole filled with butyl acetate. LED photons to the attenuation by particles.6 The AMANDA collaboration recently completed a large observatory, buried in deep a hot-water drilling tech- nique, they melted cylindrical holes down to depths of 2000 m in which were

Price, P. Buford

214

Interaction forces between oilwater particle interfaces--Non-DLVO forces  

E-Print Network [OSTI]

silica sphere and a butyl or octyl acetate droplet was measured in an aqueous environment using atomic of the water solubility of the organic liquid, in that the same force­distance characteristics were obtained in industrial applications. They include formulation, stability, and rheological properties of emulsions

Chan, Derek Y C

215

J.Org. Chem. 1991,56,4435-4439 4435 themally equilibrated reaction solutioncontained in the cwette  

E-Print Network [OSTI]

constant with potasaium chloride (I = 1.0M), had their pHs adjusted with HC1and sodium acetate (1X l0-l, W. E.J. Chem. Educ. 1966,42,96. On the Structure and Reactivity of Lithium Diisopropylamide (LDA-1301 Received January 9, 1991 Enolizations of ketones, tert-butyl esters, and carboxamidesby solventfree lithium

Collum, David B.

216

Published: December 10, 2010 r 2010 American Chemical Society 933 dx.doi.org/10.1021/ja108205q |J. Am. Chem. Soc. 2011, 133, 933940  

E-Print Network [OSTI]

: Additive-Free Synthesis, Remarkable Crystalline-Phase Stability, and Improved Lithium Insertion Behavior in the tetrabutyl titanate-acetic acid system without any additives under solvothermal conditions. A complex, and entrapment of in situ produced butyl acetate as a porogen was put forward for the formation of the anatase

Qi, Limin

217

Photoluminescence properties of polynapthalenevinylene (PNV) homopolymers and block copolymers by ring–opening metathesis polymerization (ROMP) and study of their photoluminescence properties  

Science Journals Connector (OSTI)

...barrelene-like monomer containing acetate groups, 1, was polymerized...which was solubilized by the acetate groups and therefore easily...thermal elimination of the acetate moieties. More recently...6-tetrafluorobenzene, 6, reacts with butyl lithium to yield a benzyne intermediate...

1997-01-01T23:59:59.000Z

218

New Perspectives of Curcumin in Cancer Prevention  

Science Journals Connector (OSTI)

...cyclooxygenase-2 (COX-2) inhibitors was shown to have no benefit...p53-independent anticancer effect as an inhibitor of the proteasome pathway...analog GO-Y030 is a novel inhibitor of IKKbeta that suppresses...evaluation of curcumin-loaded chitosan/poly(butyl cyanoacrylate...

Wungki Park; A.R.M. Ruhul Amin; Zhuo Georgia Chen; and Dong M. Shin

2013-05-01T23:59:59.000Z

219

Porous yttria-stabilized zirconia ceramics with ultra-low thermal conductivity  

Science Journals Connector (OSTI)

Porous yttria-stabilized zirconia (ZrO2-8 mol% Y2O3, YSZ) ceramics with ultra-low thermal conductivity (as low as 0.06 W/mK) could be fabricated by tert-butyl alcohol...

LiangFa Hu; Chang-An Wang; Yong Huang

2010-06-01T23:59:59.000Z

220

Efficient Conversion of Fructose to 5-Hydroxymethylfurfural Catalyzed by Sulfated Zirconia in Ionic Liquids  

Science Journals Connector (OSTI)

Efficient Conversion of Fructose to 5-Hydroxymethylfurfural Catalyzed by Sulfated Zirconia in Ionic Liquids ... An efficient process was developed for the dehydration of fructose to 5-hydroxymethylfurfural (5-HMF) in the ionic liquid (IL) 1-butyl-3-methyl imidazolium chloride ([BMIM][Cl]) by using sulfated zirconia as catalyst. ... Sulfated Mesoporous Niobium Oxide Catalyzed 5-Hydroxymethylfurfural Formation from Sugars ...

Xinhua Qi; Haixin Guo; Luyang Li

2011-05-31T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

he increasing frequency of detection of the widely used gasoline additive methyl tert-  

E-Print Network [OSTI]

T he increasing frequency of detection of the widely used gasoline additive methyl tert- butyl, the September 15, 1999, Report of the Blue Ribbon Panel on Oxygenates in Gasoline (1) states that between 5 with large releases (e.g., LUFTs). Unprecedented growth in use Use of MTBE as a gasoline additive began

222

UMass builds bugs to eat MTBE ByAuriaCimino  

E-Print Network [OSTI]

a toxic gasoline component might be just what the doctor ordered for Maine's con- taminated groundwater with methyl tertiary butyl ether (MTBE), which is found in gasoline. Once the first field trial is complete out of the reformulated gasoline pro- gram (RFG) .The gasoline, which con- tains 11 percent MTBE

Lovley, Derek

223

Motor Gasoline Outlook and State MTBE Bans  

Reports and Publications (EIA)

The U.S. is beginning the summer 2003 driving season with lower gasoline inventories and higher prices than last year. Recovery from this tight gasoline market could be made more difficult by impending state bans on the blending of methyl tertiary butyl ether (MTBE) into gasoline that are scheduled to begin later this year.

2003-01-01T23:59:59.000Z

224

Water Research Institute Annual Technical Report  

E-Print Network [OSTI]

Air Act mandated oxygenated gasoline containing methyl tert-butyl ether (MtBE) in certain areas percent. The State of Maine elected to use reformulated gasoline (RFG) that contained at least 11 percent and by 1995, oxygenated gasoline use was common in the northeast. Soon after the widespread use of gasoline

225

CHARACTERIZATION OF GLOVEBOX GLOVES FOR THE SAVANNAH RIVER SITE  

SciTech Connect (OSTI)

A task was undertaken to characterize glovebox gloves that are currently used in the facilities at Savannah River Site (SRS) as well as some experimental and advanced compound gloves that have been proposed for use. Gloves from four manufacturers were tested for permeation in hydrogen and air, thermal stability, tensile properties, puncture resistance and dynamic mechanical response. The gloves were compared to each other within the type and also to the butyl rubber glove that is widely used at the SRS. The permeation testing demonstrated that the butyl compounds from three of the vendors behaved similarly and exhibited hydrogen permeabilities of .52‐.84 x10{sup ‐7} cc H{sub 2}*cm / (cm{sup 2}*atm). The Viton? glove performed at the lower edge of this bound, while the more advanced composite gloves exhibited permeabilities greater than a factor of two compared to butyl. Thermogravimetric analysis was used to determine the amount of material lost under slightly aggressive conditions. Glove losses are important since they can affect the life of glovebox stripper systems. During testing at 90, 120, and 150?C, the samples lost most of the mass in the initial 60 minutes of thermal exposure and as expected increasing the temperature increased the mass loss and shortened the time to achieve a steady state loss. The ranking from worst to best was Jung butyl‐Hypalon? with 12.9 %, Piercan Hypalon? with 11.4 %, and Jung butyl‐Viton? with 5.2% mass loss all at approximately 140?C. The smallest mass losses were experienced by the Jung Viton? and the Piercan polyurethane. Tensile properties were measured using a standard dog bone style test. The butyl rubber exhibited tensile strengths of 11‐15 MPa and elongations or 660‐843%. Gloves made from other compounds exhibited lower tensile strengths (5 MPa Viton) to much higher tensile strengths (49 MPa Urethane) with a comparable range of elongation. The puncture resistance of the gloves was measured in agreement with an ASTM standard. The Butyl gloves exhibited puncture resistance from 183 ? 296 lbs/in for samples of 0.020 ? 0.038? thick. Finally, the glass transition temperature and the elastic and viscoelastic properties as a function of temperature up to maximum use temperature were determined for each glove material using Dynamic Mechanical Analysis. The glass transition temperatures of the gloves were ‐60?C for butyl, ‐30?C for polyurethane, ‐ 16?C Hypalon?, ‐16?C for Viton?, and ‐24?C for polyurethane‐Hypalon?. The glass transition was too complex for the butyl‐Hypalon? and butyl‐Viton? composite gloves to be characterized by a single glass transition temperature. All of the glass transition temperatures exceed the vendor projected use temperatures.

Korinko, P.

2013-01-24T23:59:59.000Z

226

Potential Additives to Promote Seal Swell in Synthetic Fuels and Their Effect on Thermal Stability  

SciTech Connect (OSTI)

Synthetic fuels derived from the Fischer–Tropsch (F-T) process using natural gas or coal-derived synthesis gas as feedstocks can be used for powering ground vehicles, aircraft, and ships. Because of their chemical and physical properties, F-T fuels will probably require additives in order to meet specifications with respect to lubricity and seal swell capability for use in ground and air vehicles. Using both experimental and computational studies, the propensity of certain species to enhance the seal swell characteristics of synthetic fuels and surrogates has been determined, and promising additives have been identified. Important structural characteristics for potential additives, namely an aromatic ring along with a polar constituent, are described. The thermal stability of synthetic and surrogate fuels containing the single-component additive benzyl alcohol, which is representative of this structural class, has been determined by batch stressing of the mixtures at 350 °C for up to 12 h. Synthetic fuels spiked with benzyl alcohol at concentrations (vol %) of 1.0, 0.75, and 0.5 have demonstrated the ability to swell nitrile rubber o-rings to a comparable degree as petroleum jet fuel. Further, batch reactor studies have shown that addition of benzyl alcohol does not degrade the thermal oxidative stability of the fuel based on gravimetric analysis of the solid deposits after stressing. GC-MS was used to characterize the products from thermal stressing of neat and additized surrogate jet fuel, and their compositions were compared with respect to the creation of certain species and their potential effect on deposition.

Link, D.D.; Gormley, R.J.; Baltrus, J.P.; Anderson, R.R.; Zandhuis, P.H.

2008-03-01T23:59:59.000Z

227

Supercritical Water Desulfurization of Organic Sulfides Is Consistent with Free-Radical Kinetics  

Science Journals Connector (OSTI)

Pushkaraj R. Patwardhan †, Michael T. Timko †, Caleb A. Class †, Robin E. Bonomi †, Yuko Kida †, Hector H. Hernandez ‡, Jefferson W. Tester §, and William H. Green *† ... In contrast to sulfides and disulfides, they observed that ionic reactions dominated mercaptan decomposition and resulted in greater conversions in aqueous medium. ... Model compounds were selected to represent the various classes of sulfur compounds present in crude oil: an alkyl sulfide (hexyl sulfide), a cyclic sulfide (tetrahydrothiophene), an alkyl aryl sulfide (isopropyl phenyl sulfide), three aromatic sulfides (dibenzyl sulfide, benzyl phenyl sulfide, and diphenyl sulfides), and two thiophenic compounds (thiophene and dibenzothiophene). ...

Pushkaraj R. Patwardhan; Michael T. Timko; Caleb A. Class; Robin E. Bonomi; Yuko Kida; Hector H. Hernandez; Jefferson W. Tester; William H. Green

2013-09-20T23:59:59.000Z

228

Unique Magnetic Properties of Single Crystal ?-Fe2O3 Nanowires Synthesized by Flame Vapor Deposition  

Science Journals Connector (OSTI)

Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. ... by application of an external permanent magnet; no metal leaching from the catalyst is found, and the spent catalyst could be recycled for the aerobic oxidn. of benzyl alc. ... Understanding the correlation between magnetic properties and nanostructure involves collaborative efforts between chemists, physicists, and materials scientists to study both fundamental properties and potential applications. ...

Pratap M. Rao; Xiaolin Zheng

2011-05-12T23:59:59.000Z

229

Synthesis and Evaluation of Novel Iminosugars as Potential Male Contraceptive Agents; and the Chemistry of 2,3-Dihydropyridin-4-(1H)-ones and Related Enaminones in Multicomponent Reactions  

E-Print Network [OSTI]

,3- dihydropyridin-4(1H)-ones and 4-(pyrrolidin-1-yl)furan-2(5H)-one, carbamates, and formaldehyde was achieved when lithium perchlorate was present in the reaction mixture. This chemistry was extended to the reaction of exocyclic enaminones with formaldehyde...,2,5,6,7,8-hexahydroquinoline-3-carboxylate (50) 2,5-Dioxo-octahydroquinoline-3-carbonitriles (51) 76 85 86 87 90 93 96 96 9 102 103 ? 17 List of abreviations Ac – acetate Ak – alkyl Ar – aryl BLK – blank Bn – benzyl br – broad...

Gu, Xingxian

2010-04-26T23:59:59.000Z

230

Physical Properties of Ionic Liquids  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Physical Properties of Ionic Liquids Consisting of the Physical Properties of Ionic Liquids Consisting of the 1-Butyl-3-Methylimidazolium Cation with Various Anions and the Bis(trifluoromethylsulfonyl)imide Anion with Various Cations Hui Jin, Bernie O'Hare, Jing Dong, Sergei Arzhantsev, Gary A. Baker, James F. Wishart, Alan J. Benesi, and Mark Maroncelli J. Phys. Chem. B 112, 81-92 (2008). [Find paper at ACS Publications] Abstract: Physical properties of 4 room-temperature ionic liquids consisting of the 1-butyl-3-methylimidazolium cation with various perfluorinated anions and the bis(trifluoromethylsulfonyl)imide (Tf2N-) anion with 12 pyrrolidinium-, ammonium-, and hydroxyl-containing cations are reported. Electronic structure methods are used to calculate properties related to the size, shape, and dipole moment of individual ions. Experimental measurements of

231

Recombination of Photogenerated Lophyl Radicals in Imidazolium-Based ILs  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Recombination of Photogenerated Lophyl Radicals in Imidazolium-Based Ionic Recombination of Photogenerated Lophyl Radicals in Imidazolium-Based Ionic Liquids V. Strehmel, J. F. Wishart, D. E. Polyansky and B. Strehmel ChemPhysChem 10, 3112-3118 (2009). [Find paper at Wiley] Abstract: Laser flash photolysis is applied to study the recombination reaction of lophyl radicals in ionic liquids in comparison with dimethylsulfoxide as an example of a traditional organic solvent. The latter exhibits a similar micropolarity as the ionic liquids. The ionic liquids investigated are 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (1), 1-hexyl-3-methylimidazolium hexafluorophosphate (2), and 1-butyl-3-methylimidazolium tetafluoroborate (3). The recombination of the photolytic generated lophyl radicals occur significantly faster in the ionic liquids than expected from their

232

Publications  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

7 results: 7 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is Elton J. Cairns [Clear All Filters] 2008 Shin, Joon Ho, Pratyay Basak, John B. Kerr, and Elton J. Cairns. "Rechargeable Li/LiFePO4 Cells Using N-Methyl-N-butyl pyrrolidinium Bis(trifluoromethane sulfonyl)imide-LiTFSI Electrolyte Incorporating Polymer Additives." Electrochimica Acta 54, no. 2 (2008): 410-414. Shin, Joon Ho, and Elton J. Cairns. "N-Methyl-(n-butyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide-LiTFSI-poly(ethylene glycol) dimethyl ether mixture as a Li/S cell electrolyte." Journal of Power Sources 177 (2008): 537-545. 2007 Nakahara, Kentaro, Jiro Iriyama, Shigeyuki Iwasa, Masahiro Suguro, Masaharu Satoh, and Elton J. Cairns. "Al-laminated film packaged organic radical

233

Anion effects in the extraction of lanthanide 2-thenoyltrifluoroacetone complexes into an ionic liquid  

SciTech Connect (OSTI)

The extraction of trivalent lanthanides from an aqueous phase containing 1 M NaClO{sub 4} into the room temperature ionic liquid 1-butyl-3-methylimidazolium nonafluoro-1-butane sulfonate by the beta-diketone extractant 2-thenoyltrifluoroacetone (Htta) was studied. Radiotracer distribution, absorption spectroscopy, time-resolved laser-induced fluorescence spectroscopy, and X-ray absorption fine structure measurements point to the extraction of multiple lanthanide species. At low extractant concentrations, fully hydrated aqua cations of the lanthanides are present in the ionic liquid phase. As the extractant concentration is increased 1:2 and 1:3 lanthanide:tta species are observed. In contrast, 1:4 Ln:tta complexes were observed in the extraction of lanthanides by Htta into 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide. (authors)

Jensen, Mark P.; Beitz, James V.; Rickert, Paul G. [Argonne Natl Lab, Chem Sci and Engn Div, Argonne, IL 60439 (United States); Borkowski, Marian [Argonne Natl Lab, Chem Sci and Engn Div, Argonne, IL 60439 (United States); Los Alamos Natl Lab, Earth and Environm Sci Div, Carlsbad, NM, (United States); Laszak, Ivan [Argonne Natl Lab, Chem Sci and Engn Div, Argonne, IL 60439 (United States); Commisariat Energie Atom, DEN DPC SERC LANIE, Gif Sur Yvette, (France); Dietz, Mark L. [Argonne Natl Lab, Chem Sci and Engn Div, Argonne, IL 60439 (United States); Wisconsin-Milwaukee Univ, Department of Chemistry and Biochemistry, Milwaukee, WI, (United States)

2012-07-01T23:59:59.000Z

234

Radioisotope thermoelectric generator package o-ring seal material validation testing  

SciTech Connect (OSTI)

The Radioisotope Thermoelectric Generator Package O-Ring Seal Material Validation Test was conducted to validate the use of the Butyl material as a primary seal throughout the required temperature range. Three tests were performed at (I) 233 K ({minus}40 {degree}F), (2) a specified operating temperature, and (3) 244 K ({minus}20 {degree}F) before returning to room temperature. Helium leak tests were performed at each test point to determine seal performance. The two major test objectives were to establish that butyl rubber material would maintain its integrity under various conditions and within specified parameters and to evaluate changes in material properties. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}

Adkins, H.E.; Ferrell, P.C.; Knight, R.C. [Westinghouse Hanford Company, P. O. Box 1970, MSIN N1-25, Richland, Washington 99352 (United States)

1995-01-20T23:59:59.000Z

235

Composition and method for encapsulating photovoltaic devices  

DOE Patents [OSTI]

A composition and method for encapsulating a photovoltaic device which minimizes discoloration of the encapsulant. The composition includes an ethylene-vinyl acetate encapsulant, a curing agent, an optional ultraviolet light stabilizer, and/or an optional antioxidant. The curing agent is preferably 1,1-di-(t-butylperoxy)-3,3,5-trimethylcyclohexane; the ultraviolet light stabilizer is bis-(N-octyloxy-tetramethyl) piperidinyl sebacate and the antioxidant is selected from the group consisting of tris (2,4-di-tert-butylphenyl) phosphite, tetrakis methylene (3,5-di-tert-butyl-4-hydroxyhydrocinnamate) methane, octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate, and 2,2'-ethylidene bis(4,6-di-t-butylphenyl) fluorophosponite. The composition is applied to a solar cell then cured. The cured product contains a minimal concentration of curing-generated chromophores and resists UV-induced degradation.

Pern, Fu-Jann (Golden, CO)

2000-01-01T23:59:59.000Z

236

Publications  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

3 results: 3 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is Joon Ho Shin [Clear All Filters] 2008 Shin, Joon Ho, Pratyay Basak, John B. Kerr, and Elton J. Cairns. "Rechargeable Li/LiFePO4 Cells Using N-Methyl-N-butyl pyrrolidinium Bis(trifluoromethane sulfonyl)imide-LiTFSI Electrolyte Incorporating Polymer Additives." Electrochimica Acta 54, no. 2 (2008): 410-414. Saint, Juliette A., Adam S. Best, Anthony F. Hollenkamp, Joon Ho Shin, and Marca M. Doeff. "Compatibility of Lix TiyMn1-y02 (y=0,0.11) electrode materials with pyrrolidinium-based ionic liquid electrolyte systems." Journal of The Electrochemical Society 155, no. 2 (2008): A172-A180. Shin, Joon Ho, and Elton J. Cairns. "N-Methyl-(n-butyl)pyrrolidinium

237

Weekly Petroleum Status Report  

U.S. Energy Information Administration (EIA) Indexed Site

5 5 Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH3-(CH2)n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in

238

CONCENTRATES  

Science Journals Connector (OSTI)

SHIN-ETSU MAKES FIRST MAJOR CHINA INVESTMENT ... Although China is a major market for Shin-Etsu, Japan’s most profitable chemical maker, the company has until now refrained from making large investments there because it perceived the political risk to be too great. ... Citing rising global demand from tire makers, Lanxess says it will invest about $25 million to raise butyl and halobutyl rubber capacity at its site in Zwijndrecht, Belgium. ...

2010-07-05T23:59:59.000Z

239

TEX-A-SYST: Reducing the Risk of Ground Water Contamination by Improving Pesticide Storage and Handling  

E-Print Network [OSTI]

High Basagran bentazon High Beacon primsulfuron ?- Betamix phenmedipham & Low desmedipham Low Betanex desmedipham Low Bicep metolachlor & Med atrazine High Bladex cyanazine Med Blazer acifluorfen Med Bolero thiobencarb ?- Bronate bromoxynil & Low MCPA... Eradicane EPTC Med Extra Evik ametryn Med Extrazine II atrazine & High cyanazine Med Finesse metsulfuron methyl High & chlorsulfuron Med Fusilade DX fluazifop Low Galaxy bentazon & High acifuorfen Med Genate Plus butylate Med Genep EPTC Med Glean...

Harris, Bill L.; Hoffman, D.; Mazac Jr., F. J.

1997-08-29T23:59:59.000Z

240

Safe venting of ``red oil`` runaway reactions  

SciTech Connect (OSTI)

Calorimetry testing of Tri-n-butyl phosphate (TBP) saturated with strong nitric acid was performed to determine the relationship between vent size and pressure buildup in the event of a runaway reaction. These experiments show that runaway can occur in an open system, but that even when runaway is induced in the TBP/HN0{sub 3} system, dangerous pressure buildup will be prevented with practical vent size.

Paddleford, D.F. [Westinghouse Savannah River Co., Aiken, SC (United States); Fauske, H.K. [Fauske and Associates, Inc., Burr Ridge, IL (United States)

1994-12-21T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

A Micellar Route to Layer-by-Layer Assembly of Hydrophobic Functional Polymers  

E-Print Network [OSTI]

by a modification reaction. They are poly(acrylic acid)-b-poly{6-[4-(4-cyanophenyl)phenoxy]hexyl methacrylate} (PAA- b-PAMA) or a polyanion (PAA-b-PCMA) corona, the two hydrophobic SCLCPs can be LBL assembled of poly(acrylic acid) (PAA, at pH > 7) and the micelle with a core of poly(tert- butyl acrylate) (Pt

Zhao, Yue

242

Study on B-glucosaminide syntheses  

E-Print Network [OSTI]

R w 5o60 0 N e 2elcl ~tati gs (a) 5 1 t (0 i ZN in CNC1 ) 3 4 6 t i 0 nao N bob 0 1 ossa ido ~XII I (L1 ) y?n butyl 3y4y6?tri 0 bensoyl?D?gluoosaaine hydro broaide (YI), aip. 228 ~ (2 ga. ) was susyended in ohlorofora (2&) (30 all...

Kulkarni, Sharad R

2012-06-07T23:59:59.000Z

243

Infrared spectroscopy of organic free radicals related to combustion processes  

SciTech Connect (OSTI)

The primary long-term goal of this work is to develop new techniques for measuring vibrational spectra of polyatomic neutral free radicals. The authors explore a variation of resonant two-photon ionization (R2PI) in which tunable {omega}{sub IR} excites the radical vibrationally and {omega}{sub UV} selectively ionizes only the vibrationally excited molecules. Development of the IR + UV R2PI experiment is underway. In the meantime, the authors have used optical R2PI and pulsed field ionization (PFI) detection to obtain new vibrational spectra of species such as the benzyl and phenylsilane cations. In benzyl, a great deal was learned about the vibronic coupling mechanism in the mixed q{sup 2}A{sub 2}-2{sup 2}B{sub 2} system near 450 nm by projecting the mixed states onto the manifold of cation vibrational states. In phenylsilane{sup +}, we find that the sixfold barrier to internal rotation of the silyl group is small (V{sub 6} = +19 cm{sup {minus}1}). We are beginning to understand the mechanisms of coupling of torsional states with vibration, overall rotation, and other electronic states. In addition, we are developing a new model of internal rotation in aromatic compounds based on Prof. Frank Weinhold`s natural resonance theory.

Weisshaar, J.C. [Univ. of Wisconsin, Madison (United States)

1993-12-01T23:59:59.000Z

244

Hydrogen bonding in asphaltenes and coal liquids. Quarterly report, November 1, 1982-January 31, 1983  

SciTech Connect (OSTI)

Aging of upgraded coal-derived liquids obtained from catalytic hydroprocessing of H-coal and SRC-II syncrudes has been studied. Fuel degradation, in the presence of added specific heteroatomic compounds, is monitored in the early stages by laser light scattering of developing particles at ambient temperature. The following additives have been included: 2,5-dimethypyrrole (DMP), 2,6-dimethylquioline (DMQ), phenol, 2,6-di-tert-butyl phenol (DTBP), pyridine, thiophenol, n-butyl sulfide, n-butyl disulfide, thiophene, tetrahydrothiophene, 1-hexene, copper wire, iron wire. Very pronounced enhancement of light scattering intensity has been observed for coal liquids containing the following additives: (1) Phenol, pyridine, Cu; (2) DTBP, pyridine, Cu; (3) Phenol, DMQ, Cu; (4) DMP, thiophenol. Phenolic oxidative coupling is a very important mechanism for the aging of coal liquids, and pyridine- or DMQ- complexed Cu is effective catalyst for oxidative coupling. DTBP is a hindered phenol, and therefore oxidative coupling is not as extensive as for the parent phenol. As a result, light scattering for system (2) is not as extensive as system (1). DMP by itself is deleterious to fuel stability, and the effect is enhanced by the presence of thiophenol. Thiophenes, sulfides, and hexene are much less deleterious. Iron is a poor catalyst for oxidative coupling, and therefore light scatteirng in the presence of iron is minimal. 7 figures, 1 table.

Li, N.C.; Yaggi, N.F.; Loeffler, M.C.

1983-01-01T23:59:59.000Z

245

Ozone-forming potential of a series of oxygenated organic compounds  

SciTech Connect (OSTI)

An incremental reactivity approach has been used to assess the relative ozone-forming potentials of various important oxygenated fuels/fuel additives, i.e., tert-butyl alcohol (TBA), dimethyl ether (DME), diethyl ether (DEE), methyl tert-butyl ether (MTBE), and ethyl tert-butyl ether (ETBE), in a variety of environments. Calculations were performed using a single-cell trajectory model, combined with the Lurmann-Carter-Coyner chemical mechanism, with (NMOC)/(NO{sub x}) ratios ranging from 4 to 20. This work provides the first quantitative assessment of the air quality impact of release of these important oxygenated compounds. ETBE and DEE are the two most reactive compounds on a per carbon equivalent basis, while TBA is the least reactive species. At a (NMOC)/(NO{sub x}) ratio of 8, which is generally typical of polluted urban areas in the United States, TBA, DME, MTBE, and ETBE all have incremental reactivities less than or equal to that of the urban NMHC mix. Thus, use of these additives in fuels may have a beneficial impact on urban ozone levels.

Japar, S.M.; Wallington, T.J.; Rudy, S.J.; Chang, Tai Y. (Ford Motor Company, Dearborn, MI (USA))

1991-03-01T23:59:59.000Z

246

DYNAMIC MECHANICAL ANALYSIS CHARACTERIZATION OF GLOVEBOX GLOVES  

SciTech Connect (OSTI)

As part of the characterization of various glovebox glove material from four vendors, the permeability of gas through each type as a function of temperature was determined and a discontinuity in the permeability with temperature was revealed. A series of tests to determine the viscoelastic properties of the glove materials as a function of temperature using Dynamic Mechanical Analysis (DMA) was initiated. The glass transition temperature and the elastic and viscoelastic properties as a function of temperature up to maximum use temperature were determined for each glove material. The glass transition temperatures of the gloves were -60 C for butyl, -30 C for polyurethane, -16 C Hypalon{reg_sign}, - 16 C for Viton{reg_sign}, and -24 C for polyurethane-Hypalon{reg_sign}. The glass transition was too complex for the butyl-Hypalon{reg_sign} and butyl-Viton{reg_sign} composite gloves to be characterized by a single glass transition temperature. All of the glass transition temperatures exceed the vendor projected use temperatures.

Korinko, P.

2012-02-29T23:59:59.000Z

247

Effects of Structural Modification on Ionic Liquid Physical Properties  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Effect of Structural Modification on the Physical Properties Effect of Structural Modification on the Physical Properties of Various Ionic Liquids S. I. Lall-Ramnarine, J. L. Hatcher, A. Castano, M. F. Thomas, and J. F. Wishart in "ECS Transactions - Las Vegas, NV, Vol. 33, Molten Salts and Ionic Liquids 17" D. Fox et al., Eds.; The Electrochemical Society, Pennington, NJ, (2010) pp 659 - 665. [Find paper at ECS] Abstract: A few classes of ionic liquids were synthesized and investigated for their physical properties as a function of structural variation. Bis(oxalato)borate (BOB) and bis(trifluoromethylsulfonyl)imide (NTf2) ionic liquids (ILs) containing pyridinium, 4-dimethylaminopyridinium (DMAP) and pyrrolidinium cations bearing alkyl, benzyl, hydroxyalkyl and alkoxy substituents, were prepared from the corresponding halide salts. The

248

Some Reactions of Formamidines  

E-Print Network [OSTI]

Hs i HHCeH*0CHaCeH5 I COOCaHs COOCaHs * IfHaCeHo-OCHaCeHs •23- Analysis: Hitrogen determination "by Kjeldahl method. II 12.5047 12.3667 .1380 30.52 29.84 .68 47.92 Co. 46.00 49.24 .04 2.84 45.96 46.40 normality of acid .1105 Ratio... colored substance. M.P. 95° - 96° C. Reaction: CHa CO CHa CO I' >. 2fCeH*0CHaCeHs ' CHa * HC - C s CHMC6H*0CHaCeHs l v HHCeH*0CHaCeH5 » + EEaCeH*OCHaCdHs COOCaHs COOCaHs This product may be called p-benzyl-oxy-anilidomethyleneaceto- aoetic ethyl...

Malleis, Otto Oscar

1913-05-15T23:59:59.000Z

249

Solvent for urethane adhesives and coatings and method of use  

DOE Patents [OSTI]

A solvent for urethane adhesives and coatings, the solvent having a carbaldehyde and a cyclic amide as constituents. In some embodiments the solvent consists only of miscible constituents. In some embodiments the carbaldehyde is benzaldehyde and in some embodiments the cyclic amide is N-methylpyrrolidone (M-pyrole). An extender may be added to the solvent. In some embodiments the extender is miscible with the other ingredients, and in some embodiments the extender is non-aqueous. For example, the extender may include isopropanol, ethanol, tetrahydro furfuryl alcohol, benzyl alcohol, Gamma-butyrolactone or a caprolactone. In some embodiments a carbaldehyde and a cyclic amide are heated and used to separate a urethane bonded to a component.

Simandl, Ronald F. (Knoxville, TN); Brown, John D. (Harriman, TN); Holt, Jerrid S. (Knoxville, TN)

2010-08-03T23:59:59.000Z

250

Development of libraries inspired by sparteine  

E-Print Network [OSTI]

amine 18i 80 96 10 16 methyl amine 18j 100 100 11 16 n-propyl amine 18k 100 99 12 16 isopropyl amine 18l 75 93 13 16 ethanolamine 18m 100 99 14 16 N, N-dimethylamino-1, 3-propanediamine 18n 100 99 15 16 pyridine-3-yl-methanamine 18o 38 100 16 16 2-(1H...-methylphenyl 20j 70 98 11 19 4-bromomethylphenyl 20k 88 99 12 19 3-bromomethylphenyl 20l 84 99 13 19 4-cyanophenyl 20m 90 98 14 19 4-(N,N-dimethylamino)phenyl 20n 40 33 15 19 benzyl 20o 90 97 16 19 4-ethylphenethyl 20p 92 92 17 19 cyclohexyl 20q 84 92 18 19 n...

Singh, Gurpreet

2011-21-31T23:59:59.000Z

251

1,2-diketones promoted degradation of poly(epsilon-caprolactone)  

SciTech Connect (OSTI)

Photochemical reactions of Benzil and Camphorquinone were used for modification of poly({epsilon}-caprolactone) polymer films. Photochemistry of dopants was followed by infrared spectroscopy, changes on polymer chains of matrix were followed by gel permeation chromatography. Benzoyl peroxide was efficiently photochemically generated from benzyl in solid polymer matrix in the presence of air. Following decomposition of benzoyl peroxide led to degradation of matrix. Photochemical transformation of benzil in vacuum led to hydrogen abstraction from the polymer chains in higher extent, which resulted to chains recombination and formation of gel. Photochemical transformation of camphorquinone to corresponding camphoric peroxide was not observed. Only decrease of molecular weight of polymer matrix doped with camphorquinone was observed during the irradiation.

Danko, Martin; Borska, Katarina; Ragab, Sherif Shaban; Janigova, Ivica; Mosnacek, Jaroslav [Polymer Institute, Center of Excellence GLYCOMED, Slovak Academy of Sciences, Dubravska cesta 9, 845 41 Bratislava (Slovakia); Polymer Institute, Slovak Academy of Sciences, Dubravska cesta 9, 845 41 Bratislava (Slovakia); Photochemistry Department, Chemical Industries Research Division, National Research Centre, Dokki, Giza, Egypt.P.O. Box: 12622 (Egypt); Polymer Institute, Slovak Academy of Sciences, Dubravska cesta 9, 845 41 Bratislava (Slovakia); Polymer Institute, Center of Excellence GLYCOMED, Slovak Academy of Sciences, Dubravska cesta 9, 845 41 Bratislava (Slovakia)

2012-07-11T23:59:59.000Z

252

Computational Modeling of Degradation of Substituted Benzyltrimethyl Ammonium: Preprint  

SciTech Connect (OSTI)

The degradation of cations on the alkaline exchange membranes is the major challenge for alkaline membrane fuel cells. In this paper, we investigated the degradation barriers by density functional theory for substituted benzyltrimethyl ammonium (BTMA+) cations, which is one of the most commonly used cations for alkaline exchange membranes. We found that substituted cations with electron-releasing substituent groups at meta-position of the benzyl ring could result in improved degradation barriers. However, after investigating more than thirty substituted BTMA+ cations with ten different substituent groups, the largest improvement of degradation barriers is only 1.6 kcal/mol. This implies that the lifetime of alkaline membrane fuel cells could increase from a few months to a few years by using substituted BTMA+ cations, an encouraging but still limited improvement for real-world applications.

Long, H.; Pivovar, B. S.

2014-09-01T23:59:59.000Z

253

Method for detecting toxic gases  

DOE Patents [OSTI]

A method is disclosed which is capable of detecting low concentrations of a pollutant or other component in air or other gas. This method utilizes a combination of a heating filament having a catalytic surface of a noble metal for exposure to the gas and producing a derivative chemical product from the component. An electrochemical sensor responds to the derivative chemical product for providing a signal indicative of the product. At concentrations in the order of about 1-100 ppm of tetrachloroethylene, neither the heating filament nor the electrochemical sensor is individually capable of sensing the pollutant. In the combination, the heating filament converts the benzyl chloride to one or more derivative chemical products which may be detected by the electrochemical sensor. 6 figures.

Stetter, J.R.; Zaromb, S.; Findlay, M.W. Jr.

1991-10-08T23:59:59.000Z

254

Ferrocenylundecanethiol Self-Assembled Monolayer Charging Correlates with Negative Differential Resistance Measured by Conducting Probe Atomic Force Microscopy  

Science Journals Connector (OSTI)

Additionally, electric force measurements along with theoretical modeling both in and out of contact with a nonelectroactive 1-octanethiol (C8SH) SAM were also performed. ... Using a simple parallel-plate geometry37 and assuming that stored charge is localized on the ferricenium end groups, we find that the quantity of detected charges is Q = 80 ± 20 positive elementary charges or the same number of oxidized molecules if we assume each molecule can store one charge. ... The measurements showed: (1) the I-V traces were linear over ±0.3 V, (2) the junction resistance increased exponentially with alkyl chain length, (3) the junction resistance decreased with increasing load and showed two distinct power law scaling regimes, (4) resistances were a factor of 10 lower for junctions based on benzyl thiol SAMs compared to hexyl thiol SAMs having the same thickness, and (5) the junctions sustained fields up to 2 × 107 V/cm before breakdown. ...

Alexei V. Tivanski; Gilbert C. Walker

2005-05-03T23:59:59.000Z

255

Core stress distribution of phase shifting multimode polymer optical fiber  

SciTech Connect (OSTI)

Poly-(methyl methacrylate-co-benzyl methacrylate) polarization-maintaining optical fibers are known for their high response to normal stress. In this report, responses to higher stress levels up to 0.45?MPa were investigated. The stress amplitude and direction in the fiber cross section were calculated and analyzed with a coincident mode-field obtained from the near-field pattern. The stress amplitude varies significantly in the horizontal direction and is considered to create multiple phases, explaining the measurement results. To investigate possible permanent deformation, the core yield point profile was analyzed. Although it largely exceeds the average applied stress, the calculated stress distribution indicates that the core could partially experience stress that exceeds the yield point.

Furukawa, Rei, E-mail: furukawa@ee.uec.ac.jp; Matsuura, Motoharu [Center for Frontier Science and Engineering, The University of Electro-Communications, Chofugaoka 1-5-1, Chofu, Tokyo 182-8585 (Japan)] [Center for Frontier Science and Engineering, The University of Electro-Communications, Chofugaoka 1-5-1, Chofu, Tokyo 182-8585 (Japan); Nagata, Morio; Mishima, Kenji [Research Center for Advanced Science and Technology, The University of Tokyo, Meguro-ku, Tokyo 153-8904 (Japan)] [Research Center for Advanced Science and Technology, The University of Tokyo, Meguro-ku, Tokyo 153-8904 (Japan); Inoue, Azusa; Tagaya, Akihiro; Koike, Yasuhiro [Keio Photonics Research Institute, Keio University, Saiwaiku Shinkawasaki 7-1, Kawasaki, Kanagawa 212-0032 (Japan)] [Keio Photonics Research Institute, Keio University, Saiwaiku Shinkawasaki 7-1, Kawasaki, Kanagawa 212-0032 (Japan)

2013-11-18T23:59:59.000Z

256

Synthetic studies in nitrogen chemistry  

SciTech Connect (OSTI)

N,N-Bis(benzotriazolylmethyl)arylamines were obtained quantitatively from mixtures of benzotriazole, formaldehyde and the corresponding arylamine in refluxing toluene with azeotropic removal of water. Treatment of these adducts with Grignard reagents or sodium borohydride afforded symmetrically substituted N,N-dialkylarylamines in high yields. Unsymmetrically substituted N,N-dialkylarylamines could also be obtained by similar stepwise procedures. Sterically hindered N,N-bis(sec-butyl)arylamines were prepared by alkylations of the anions of the corresponding arylamines with 2-iodobutane. Chlorosulfonation of 2-nitroanisole gave 4-methoxy-3-nitrobenzene-sulfon-yl chloride, which was converted with N-butyl-(3-phenylpropyl)-amine into the corresponding benzenesulfonamide. Hydrolysis of the methoxy group and reduction of the nitro substituent of this benzene-sulfonamide, followed by diazotization and coupling with 2-naphthol, afforded N-butyl-N-(3-phenylpropyl)-4-hydroxy-3-(2-hydroxy-1-naphthyl)azobenzenesulfonamide. Medium-sized (7 and 8) benzosultams were synthesized by Friedel-Crafts cyclizations of w-phenylaklanesulfamoyl chlorides. New (benzotriazol-1-y)methyl derivatives of type Bt(1)CH[sub 2] X [Bt(1) = benzotriazol-1-yl] were prepared. [alpha]-(Benzotriazol-1-yl)acetophenone was converted to a number of interesting derivatives. Lithiation of 1-methylbenzotriazole followed by treatments with electrophiles gave various [alpha]-substituted 1-methylbenzotriazoles. Simple treatments of 2-alkylbenzotriazoles by LDA gave symmetrical [alpha],[beta]-bis-(benzotriazol-2-yl)alkanes sterospecifically as the [alpha],[alpha]-coupled products in high yields. A molecule [Bt(2)CH(CH[sub 3])CH(CH[sub 3])CH(CH[sub 3])CH(CH[sub 3])Bt(2)] [Bt(2) = benzotriazole-2-yl] with four asymmetric centers derived from four molecules of 2-ethylbenzotriazole was obtained as a single isomer. A new radical mechanism was first proposed to account for the chemistry of 2-alkylbenzotriazoles.

Wu, J.

1992-01-01T23:59:59.000Z

257

Petroleum Supply Monthly  

Gasoline and Diesel Fuel Update (EIA)

0 0 December 2011 Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH3-(CH2)n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation. A refining process for chemically combining isobutane with olefin hydrocarbons (e.g., propylene, butylene) through the control of temperature and pressure in the presence of an acid catalyst,

258

Petroleum Supply Monthly  

U.S. Energy Information Administration (EIA) Indexed Site

September 2013 September 2013 Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH3-(CH2)n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation. A refining process for chemically combining isobutane with olefin hydrocarbons (e.g., propylene, butylene) through the control of temperature and pressure in the presence of an acid catalyst,

259

List of Reproductive Toxins and Highly Acute Toxic Materials  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Reproductive Toxins and Highly Acute Toxic Materials Reproductive Toxins and Highly Acute Toxic Materials Reproductive Toxins Acrylonitr ile Aniline Arsenic and its compounds Benzene Benzo(a)pyrene Beryllium Boric acid (Boron) Cadmium and its compounds Carbon monoxide Chlordecone (Kepone) Chloroform Chloroprene Dibromochloropropane (DBCP) Dichlorobenzene 1,1-Dichloroethane Dichloromethane Dioxane Epichlorohydrin Ethylene Dibromide Ethylene Dichloride Ethylene Oxide Fluorocarbons Formaldehyde Formamides Lead (Organic) Manganese and its compounds Mercury and its compounds (Inorganic) Methyl n-butyl ketone Methyl chloroform Methyl ethyl ketone (MEK) Nitrogen Dioxide Ozone Platinum and its compounds Polybrominated biphenyls (PBB) Polychlorinated bipenyls (PCB) Selenium and its compounds Styrene Tellurium and its compounds Tetr achloroethylene

260

The Risk Assessment Information System  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

What's New What's New November 2013 Updates ECO mammalian SSLs were updated for cadmium, antimony , arsenic, inorganic, barium, Beryllium, chromium VI, cobalt, copper, lead, silver, vanadium, cyanide (total complex), methyl mercury, sulfide, thallium and tin. October 2013 Updates The biota intake rates for the radionuclide PRG and risk tools were updated to correct an improper units conversion. September 2013 Updates IRIS updates for 1,4-Dioxane and Biphenyl were completed. PPRTV values have been updated for Biphenyl, 3,4-Dichlorobenzotrifluoride, Trinitrophenylmethylnitramine (Tetryl), Endosulfan Sulfate, 1,1,2,2-Tetrachloroethane, Nitromethane, Dibenzothiophene, 2-Ethoxyethanol, 3,3'-Dimethoxybenzidine, Butylated hydroxytoluene, Ethyl Acetate, tert-Amyl Alcohol, 2,2-Difluoropropane,

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

MTBE, Oxygenates, and Motor Gasoline (Released in the STEO October 1999)  

Reports and Publications (EIA)

The blending of methyl tertiary butyl ether (MTBE) into motor gasoline has increased dramatically since it was first produced 20 years ago. MTBE usage grew in the early 1980's in response to octane demand resulting initially from the phaseout of lead from gasoline and later from rising demand for premium gasoline. The oxygenated gasoline program stimulated an increase in MTBE production between 1990 and 1994. MTBE demand increased from 83,000 in 1990 to 161,000 barrels per day in 1994. The reformulated gasoline (RFG) program provided a further boost to oxygenate blending. The MTBE contained in motor gasoline increased to 269,000 barrels per day by 1997.

1999-01-01T23:59:59.000Z

262

Silica gel as a model surface for adsorption calorimetry of enhanced-oil-recovery systems. [Heat of immersion  

SciTech Connect (OSTI)

This report describes a method for studying interaction of fluids with surfaces by measuring the heat of immersion and then measuring simultaneously the surface excess and enthalpy of replacement for a series of binary solutions. The method of calculating surface excess is described. These techniques are applied to silica gel which has had different activation temperatures. Heating overnight to 400/sup 0/C results in a reproducible surface. The adsorption of n-butyl alcohol from toluene and from water upon these surfaces is compared.

Noll, L.A.; Burchfield, T.E.

1982-06-01T23:59:59.000Z

263

Time-resolved energy transfer from single chloride-terminated nanocrystals to graphene  

SciTech Connect (OSTI)

We examine the time-resolved resonance energy transfer of excitons from single n-butyl amine-bound, chloride-terminated nanocrystals to two-dimensional graphene through time-correlated single photon counting. The radiative biexponential lifetime kinetics and blinking statistics of the individual surface-modified nanocrystal elucidate the non-radiative decay channels. Blinking modification as well as a 4× reduction in spontaneous emission were observed with the short chloride and n-butylamine ligands, probing the energy transfer pathways for the development of graphene-nanocrystal nanophotonic devices.

Ajayi, O. A., E-mail: oaa2114@columbia.edu, E-mail: cww2104@columbia.edu; Wong, C. W., E-mail: oaa2114@columbia.edu, E-mail: cww2104@columbia.edu [Optical Nanostructures Laboratory, Center for Integrated Science and Engineering, Solid-State Science and Engineering, Columbia University, New York, New York 10027 (United States); Department of Mechanical Engineering, Columbia University, New York, New York 10027 (United States); Anderson, N. C.; Wolcott, A.; Owen, J. S. [Department of Chemistry, Columbia University, New York, New York 10027 (United States); Cotlet, M. [Brookhaven National Laboratory, Upton, New York, New York 11973 (United States); Petrone, N.; Hone, J. [Department of Mechanical Engineering, Columbia University, New York, New York 10027 (United States); Gu, T.; Gesuele, F. [Optical Nanostructures Laboratory, Center for Integrated Science and Engineering, Solid-State Science and Engineering, Columbia University, New York, New York 10027 (United States)

2014-04-28T23:59:59.000Z

264

Fluorescent temperature sensor  

DOE Patents [OSTI]

The present invention is a fluorescent temperature sensor or optical thermometer. The sensor includes a solution of 1,3-bis(1-pyrenyl)propane within a 1-butyl-1-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquid solvent. The 1,3-bis(1-pyrenyl)propane remains unassociated when in the ground state while in solution. When subjected to UV light, an excited state is produced that exists in equilibrium with an excimer. The position of the equilibrium between the two excited states is temperature dependent.

Baker, Gary A [Los Alamos, NM; Baker, Sheila N [Los Alamos, NM; McCleskey, T Mark [Los Alamos, NM

2009-03-03T23:59:59.000Z

265

Carbenium ion intermediates in catalytic cracking  

E-Print Network [OSTI]

polymerization for which carbenium ions are proposed intermediates. In order to increase the signal amplitude, propene 2-13C (99. 2% enriched) was used as the adsorbate. The results of these experiments indicate that carbe- nium ions are in fact... C, (d) 300 C, (e) 400 C C HNR spectra of sec-butyl chloride antimony pentafluoride mixture 16 13C NMR spectrum of C- ethene on H-ZSN5 . . . . 19 C CPNAS spectrum of tri-phenylmethyl chloride adsorbed on silica-alumina Schematic representation...

Zardkoohi, Minoo

2012-06-07T23:59:59.000Z

266

Overview of ''Red Oil'' Frequency Analyses for F-Canyon  

SciTech Connect (OSTI)

A very small potential exists in the Savannah River Site (SRS) separations operations for an uncontrolled reaction between tri-n-butyl phosphate (TBP) and nitric acid that could result in unacceptable damage to separations facilities and a significant release of radioactive materials. The recent ''red oil'' (TBP and nitric acid) accident in Tomsk, Russia, resulted in considerable damage and radioactive release. Explosions have also occurred at SRS during the early years of operations. While the SRS separations facilities have operated without incident for many years, it is prudent to revisit the SRS defense-in-depth approach to preventing such an accident and to upgrade preventive procedures and hardware as appropriate.

Lux, C.R.

2000-07-19T23:59:59.000Z

267

Effect of temperature on the extraction of uranium(VI) from nitric acid by tri-n-amyl phosphate  

SciTech Connect (OSTI)

Studies have been carried out on the effect of temperature on the extraction of U(VI) from nitric acid medium by tri-n-amyl phosphate/n-dodecane, measured as a function of the extractant concentration and aqueous phase acidity. The results indicate that the extraction is exothermic as in the case of tri-n-butyl phosphate. From the data available an effort has been made to calculate the equilibrium constant, the Gibbs energy change and the entropy changes of the extraction reaction. 21 refs., 3 figs., 4 tabs.

Srinivasan, T.G.; Rao, P.R.V. [Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Sood, D.D. [Indira Gandhi Centre for Atomic Research, Kalpakkam (India)]|[BARC, Mumbai (India)

1997-01-01T23:59:59.000Z

268

Chemical transformations during rectification of products of hydroformylation of propylene  

SciTech Connect (OSTI)

The occurrence of reactions related to losses of the target products, aldehydes and alcohols, was established in continuous rectification of the products of hydroformylation of propylene. The sections of the zone of primary occurrence of the reactions of aldol condensation, formation of acetals, and esterification of butyl alcohols with butyric acids were determined in the rectification column. It was shown that with increase in temperature in the rectification column still the degree of aldehyde and alcohol conversion in the overall rectification system decreases with respect to aldol condensation and acetal formation, while increasing with respect to alcohol esterification.

Kuz'mina, L.S.; Maiorova, L.V.; Kharisov, M.A.

1988-09-10T23:59:59.000Z

269

Sorption of uranium from nitric acid solution using TBP-impregnated activated carbons  

SciTech Connect (OSTI)

The concept of extraction chromatography has been used to study the sorption of uranium from nitric acid solutions using tri-n-butyl phosphate (TBP) impregnated activated carbons. Batch equilibrium data and kinetic and breakthrough column behavior of uranium are reported. Wood based activated carbon has shown better capacity and breakthrough characteristics than shell based activated carbon. Sorption rate on impregnated carbons was relatively slow indicating that diffusion is the rate controlling step within the pore structure of the activated carbon. Uranium distribution on impregnated activated carbons is compared with equivalent bulk liquid extraction and a mechanism of uranium sorption is discussed.

Abbasi, W.A. [Pakistan Atomic Energy Commission, Islamabad (Pakistan). Pakistan Inst. of Nuclear Science and Technology; Streat, M. [Loughborough Univ. (United Kingdom). Dept. of Chemical Engineering

1998-08-01T23:59:59.000Z

270

DEGRADED TBP SOLVENT REGENERATION TECHNOLOGY USING BUTYLAMINE AS A SOLVENT WASHING TO REDUCE SOLID SALT WASTE  

SciTech Connect (OSTI)

Normal butylamine compounds are studied as salt-free wash reagents for degraded solvent used in PUREX process in spent fuel reprocessing. The solvent wash tests were carried out with two types of butylamine compounds, n-butylamine oxalate and n-butylamine bicarbonate, by counter-current mode using a small size mixer-settler composed of two 4-stage wash steps. Di-n-butyl phosphoric acid (HDBP), the main degradation product from TBP, was removed from real degraded solvent with decontamination factor of 2.5 {approx} 7.9. The study on electrolytic decomposition of butylamine compounds was also conducted for waste treatment.

Asakura, T.; Itoh, Y.; Hotoku, S.; Morita, Y.; Uchiyama, G.

2003-02-27T23:59:59.000Z

271

Solvent Extraction Behavior of Plutonium (IV) Ions in the Presence of Simple Hydroxamic Acids  

SciTech Connect (OSTI)

Formo-and aceto-hydroxamic acids are very effective reagents for stripping Pu(IV) ions from a tri-butyl phosphate phase into nitric acid. Distribution data for Pu(IV) in the presence of these hydroxamate ions have been obtained and trends established. The affinity of aceto-hydroxamic acid for Pu(IV) ions and its selectivity over U(VI) ions is demonstrated by the values of the stability constants in HCIO4. These data support the applications of simple hydroxamic acids in advanced Purex-type solvent extraction systems.

Carrott, M. J.; Fox, O. D.; Maher, C. J.; Mason, C.; Taylor, Robin J.; Sinkov, Sergey I.; Choppin, Gregory R.

2007-11-15T23:59:59.000Z

272

Modification of Y Zeolite with Alkaline Treatment: Textural Properties and Catalytic Activity for Diethyl Carbonate Synthesis  

Science Journals Connector (OSTI)

(1) Compared to dimethyl carbonate (DMC) and ethanol, DEC has been proposed as a potential fuel oxygenate additive to replace methyl tert-butyl ether (MTBE) because of its high oxygen content (40.6 wt %) and favorable fuel/water partition coefficient. ... For CuY using untreated zeolite as a support, there were only two H2-comsumption peaks at 473 and 681 K, ascribed to the Cu+ located on sites III? and II. ... Dunn, B. C.; Guenneau, C.; Hilton, S. A.; Pahnke, J.; Eyring, E. M.Production of diethyl carbonate from ethanol and carbon monoxide over a heterogeneous catalyst Energy Fuels 2002, 16, 177– 181 ...

Shouying Huang; Pengzhen Chen; Bing Yan; Shengping Wang; Yongli Shen; Xinbin Ma

2013-04-20T23:59:59.000Z

273

Oxygenate Supply/Demand Balances in the Short-Term Integrated Forecasting Model (Released in the STEO March 1998)  

Reports and Publications (EIA)

The blending of oxygenates, such as fuel ethanol and methyl tertiary butyl ether (MTBE), into motor gasoline has increased dramatically in the last few years because of the oxygenated and reformulated gasoline programs. Because of the significant role oxygenates now have in petroleum product markets, the Short-Term Integrated Forecasting System (STIFS) was revised to include supply and demand balances for fuel ethanol and MTBE. The STIFS model is used for producing forecasts in the Short-Term Energy Outlook. A review of the historical data sources and forecasting methodology for oxygenate production, imports, inventories, and demand is presented in this report.

1998-01-01T23:59:59.000Z

274

Method for measuring surface temperature  

DOE Patents [OSTI]

The present invention relates to a method for measuring a surface temperature using is a fluorescent temperature sensor or optical thermometer. The sensor includes a solution of 1,3-bis(1-pyrenyl)propane within a 1-butyl-1-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquid solvent. The 1,3-bis(1-pyrenyl)propane remains unassociated when in the ground state while in solution. When subjected to UV light, an excited state is produced that exists in equilibrium with an excimer. The position of the equilibrium between the two excited states is temperature dependent.

Baker, Gary A. (Los Alamos, NM); Baker, Sheila N. (Los Alamos, NM); McCleskey, T. Mark (Los Alamos, NM)

2009-07-28T23:59:59.000Z

275

California's Move Toward E10 (released in AEO2009)  

Reports and Publications (EIA)

In Annual Energy Outlook 2009, (AEO) E10–a gasoline blend containing 10% ethanol–is assumed to be the maximum ethanol blend allowed in California erformulated gasoline (RFG), as opposed to the 5.7% blend assumed in earlier AEOs. The 5.7% blend had reflected decisions made when California decided to phase out use of the additive methyl tertiary butyl ether in its RFG program in 2003, opting instead to use ethanol in the minimum amount that would meet the requirement for 2.0% oxygen content under the Clean Air Act provisions in effect at that time.

2009-01-01T23:59:59.000Z

276

Asymmetric synthesis of both enantiomers of esters and ?-lactones from optically active 1-chlorovinyl p-tolyl sulfoxides and lithium ester enolates with the formation of a tertiary or a quaternary carbon stereogenic center at the ?-position  

Science Journals Connector (OSTI)

Treatment of optically active 1-chlorovinyl p-tolyl sulfoxides having two different substituents at the 2-position, which were synthesized from aldehydes or unsymmetrical ketones and (R)-(?)-chloromethyl p-tolyl sulfoxide in two or three steps, with the lithium enolate of tert-butyl acetate gave optically active adducts in 99% chiral induction from the sulfur stereogenic center. The adducts were converted to optically active esters, carboxylic acids, and ?-lactones, which have a tertiary or a quaternary carbon stereogenic center at the ?-position. A synthesis of optically active spiro-lactones was realized starting from 2-cyclohexenone by this method.

Shimpei Sugiyama; Tsuyoshi Satoh

2005-01-01T23:59:59.000Z

277

Biomass-Derived Platform Chemicals: Thermodynamic Studies on the Extraction of 5-Hydroxymethylfurfural from Ionic Liquids  

Science Journals Connector (OSTI)

Biomass-Derived Platform Chemicals: Thermodynamic Studies on the Extraction of 5-Hydroxymethylfurfural from Ionic Liquids ... Furthermore, the solubility of 5-hydroxymethylfurfural (HMF) in these solutes and the solubility of the solutes in 1-butyl-3-methylimidazolium methanesulfonate ([C4mim][CH3SO3]) was assessed. ... In the past 20 years, a large body of work has been conducted on the condensation of fructose and other carbohydrates to 5-hydroxymethylfurfural (HMF), which, due to its multifunctionality, has been claimed a prime platform chemical derived from biomass (Scheme 1). ...

Annegret Stark; Bernd Ondruschka; Dzmitry H. Zaitsau; Sergey P. Verevkin

2012-10-15T23:59:59.000Z

278

Development of a partition function for polymer systems  

E-Print Network [OSTI]

eT = 3 -2U Coefficient of' Compressibility (K) 3y definition K = ? ? ( ? ) 1 3V V tIp T ) but again V = Nxv ) = = v? ) and from (4) 0v Qv Therefore, K = ? ~(~)T vp p T From the equation of state, with T constant, -v and v + v p + + ~53 3..., but with the accuracy with which &x, p, and K are known, it is impossible to calculate the reduced vol- umes with the needed precision. 22 PIGURE I Reduced temperature versus reduced volume for octane and butyl rubber. AB = dv at 15, 000 ib/in -M 2 CD = Qv at p...

Oliver-Labra, Pedro Aurelio

2012-06-07T23:59:59.000Z

279

PUNCTURE TEST CHARACTERIZATION OF GLOVEBOX GLOVES  

SciTech Connect (OSTI)

An experiment was conducted to determine the puncture resistance of 15 gloves that are used or proposed for use in the Tritium Facility at Savannah River Site (SRS). These data will serve as a baseline for characterization and may be incorporated into the glove procurement specification. The testing was conducted in agreement with ASTM D120 and all of the gloves met or exceeded the minimum requirements. Butyl gloves exhibited puncture resistance nearly 2.5 times the minimum requirements at SRS while Polyurethane was nearly 7.5x the minimum.

Korinko, P.; Chapman, G.

2012-02-29T23:59:59.000Z

280

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

Inputs & Utilization Inputs & Utilization Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether), butane, and pentanes plus. Barrel A unit of volume equal to 42 U.S. gallons. Blending Plant A facility which has no refining capability but is either capable of producing finished motor gasoline through mechanical blending or blends oxygenates with motor gasoline.

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Metal-Polymer Interactions in a Polymer/Metal Nanocomposite  

Science Journals Connector (OSTI)

A poly(t-butyl acrylate)/gold nanocomposite sandwich was annealed to induce diffusion of the gold particles, which was monitored using Rutherford backscattering spectrometry. Marker motion experiments were also performed to probe particle and polymer mobilities independently. The experiments revealed that particle mobility was decreased by 2 to 3 orders of magnitude compared with the predictions by Stokes-Einstein theory. Diffusion of polymer molecules through a gold particle layer is decreased by a much smaller extent. These results are attributed to bridging between particles arising from slow exchange kinetics of polymer segments at the polymer/metal interface.

Douglas H. Cole; Kenneth R. Shull; L. E. Rehn; P. Baldo

1997-06-30T23:59:59.000Z

282

Physicochemical properties and toxicities of hydrophobic piperidinium and  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Physicochemical properties and toxicities of hydrophobic piperidinium and Physicochemical properties and toxicities of hydrophobic piperidinium and pyrrolidinium ionic liquids Title Physicochemical properties and toxicities of hydrophobic piperidinium and pyrrolidinium ionic liquids Publication Type Journal Article Year of Publication 2007 Authors Salminen, Justin, Nicolas Papaiconomou, Anand R. Kumar, Jong-Min Lee, John B. Kerr, John S. Newman, and John M. Prausnitz Journal Fluid Phase Equilibria Volume 261 Pagination 421-426 Keywords hydrophobic, ionic liquids, piperidinium, properties, pyrrolidinium, safety, toxicity Abstract Some properties are reported for hydrophobic ionic liquids (IL) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro]+, 1-methyl-1-butyl pyrrolidinium [MBPyrro]+, 1-methyl-1-propyl piperidinium [MPPip]+, 1-methyl-1-butyl piperidinium [MBPip]+, 1-methyl-1-octyl pyrrolidinium [MOPyrro]+ and 1-methyl-1-octyl piperidinium [MOPip]+ cations. These liquids provide new alternatives to pyridinium and imidazolium ILs. High thermal stability of an ionic liquid increases safety in applications like rechargeable lithium-ion batteries and other electrochemical devices. Thermal properties, ionic conductivities, viscosities, and mutual solubilities with water are reported. In addition, toxicities of selected ionic liquids have been measured using a human cancer cell line. The ILs studied here are sparingly soluble in water but hygroscopic. We show some structure-property relationships that may help to design green solvents for specific applications. While ionic liquids are claimed to be environmentally benign solvents, as yet few data have been published to support these claims.

283

Fuel Ethanol Oxygenate Production  

Gasoline and Diesel Fuel Update (EIA)

Product: Fuel Ethanol Methyl Tertiary Butyl Ether Merchant Plants Captive Plants Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day Product: Fuel Ethanol Methyl Tertiary Butyl Ether Merchant Plants Captive Plants Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day Download Series History Download Series History Definitions, Sources & Notes Definitions, Sources & Notes Show Data By: Product Area May-13 Jun-13 Jul-13 Aug-13 Sep-13 Oct-13 View History U.S. 27,197 26,722 26,923 26,320 25,564 27,995 1981-2013 East Coast (PADD 1) 628 784 836 842 527 636 2004-2013 Midwest (PADD 2) 25,209 24,689 24,786 24,186 23,810 26,040 2004-2013 Gulf Coast (PADD 3) 523 404 487 460 431 473 2004-2013 Rocky Mountain (PADD 4) 450 432 430 432 415 429 2004-2013 West Coast (PADD 5)

284

Effect of use of low oxygenate gasoline blends upon emissions from California vehicles. Final report  

SciTech Connect (OSTI)

The objective of this project was to investigate the emissions effects of low-oxygenate gasoline blends on exhaust and evaporative emissions from a test fleet of California certified light-duty autos. Thirteen vehicles were procured and tested using four gasoline-oxygenate blends over three test cycles. The four gasoline blends were: Methyl Tertiary Butyl Ether (MTBE), Ethyl Tertiary Butyl Ether (ETBE), and 'match' and 'splash' blends of ethanol (in the 'match' blend the fuel Reid Vapor Pressure (RVP) is held constant, while in the 'splash' blend the fuel RVP is allowed to increase). Hydrocarbon and carbon monoxide exhaust emissions were generally reduced for the oxygenated blends, the exception being the 'splash-blended' ethanol gasoline which showed mixed results. Older technology vehicles (e.g., non-catalyst and oxidation catalyst) showed the greatest emissions reductions regardless of gasoline blend, while later technology vehicles showed the smallest reductions. Evaporative emissions and toxics were generally reduced for ETBE, while results for the other blends were mixed.

Born, G.L.; Lucas, S.V.; Scott, R.D.; DeFries, T.H.; Kishan, S.

1994-02-01T23:59:59.000Z

285

Investigation of coal structure. Quarterly report, January 1, 1993--March 31, 1993  

SciTech Connect (OSTI)

The goal of the present work is to conduct multi-stage sequences of extraction experiments and direct solvent swelling measurements of raw and extracted coal to study in a greater depth the role of intra- and intermolecular interactions in the structure of coal. One of the possible ways to investigate the structure of coal is to extract it with a series of procedures. The individual extraction step chosen will be such that it weaken or disrupt intra- and intermolecular interactions that are particular to the rank of the test coal. To date, we attempted to extract raw and pyridine extracted (PI) DECS 16 coal with two solvents; 1:1 volume percent carbon disulfide & 1-methyl-2-pyrrolidinone (NMEP) mixed solvent and 1:3 volume percent 1M tetrabutylammonium hydroxide (TBAH) in methanol & pyridine. Also, raw DECS 16 coal was o-butylated followed by pyridine extraction in a soxhlet apparatus and the ultimate extraction yields were compared with o-butylated pyridine extracted coal.

Not Available

1993-04-01T23:59:59.000Z

286

Methods for Predicting More Confident Lifetimes of Seals in Air Environments  

SciTech Connect (OSTI)

We have been working for many years to develop improved methods for predicting the lifetimes of polymers exposed to air environments and have recently turned our attention to seal materials. This paper describes an extensive study on a butyl material using elevated temperature compression stress-relaxation (CSR) techniques in combination with conventional oven aging exposures. The results initially indicated important synergistic effects when mechanical strain is combined with oven aging, as well as complex, non-Arrhenius behavior of the CSR results. By combining modeling and experiments, we show that diffusion-limited oxidation (DLO) anomalies dominate traditional CSR experiments. A new CSR approach allows us to eliminate DLO effects and recover Arrhenius behavior. Furthermore, the resulting CSR activation energy (E{sub a}) from 125 C to 70 C is identical to the activation energies for the tensile elongation and for the oxygen consumption rate of unstrained material over similar temperature ranges. This strongly suggests that the same underlying oxidation reactions determine both the unstrained and strained degradation rates. We therefore utilize our ultrasensitive oxygen consumption rate approach down to 23 C to show that the CSR E{sub a} likely remains unchanged when extrapolated below 70 C, allowing very confident room temperature lifetime predictions for the butyl seal.

Celina, M.; Gillen, K.T.; Keenan, M.R.

1999-03-05T23:59:59.000Z

287

Thermal decomposition of nitrated tributyl phosphate  

SciTech Connect (OSTI)

Tri-n-butyl phosphate (TBP), nitric acid and water mixtures are subject to thermal decomposition. The gaseous and liquid decomposition product yields are highly path dependent. Higher temperatures accelerate decomposition rates, but may result in lower extent of reaction than comparable low temperature cases. Actual extent of reaction, and gaseous by-products generation, are affected by the presence of Zr(IV), condensate reflux back into the reaction vessel, the water/HNO{sub 3} and the HNO{sub 3}/TBP molar ratios, and whether the decomposition occurs at isobaric or constant volume conditions. Higher gaseous production results from condensate reflux, lower H{sub 2}O/HNO{sub 3} ratios, and with excess HNO{sub 3} and water present as a second liquid phase. Principal gaseous products include N{sub 2}, CO, CO{sub 2}, NO and N{sub 2}O. Measurable concentrations of NO{sub 2} were not observed, although gas coloration indicative of NO{sub 2} were obsessed during the beginning of decomposition measurements. Principal liquid products are dibutyl phosphoric acid and butyl nitrate. Air sparging of TBP solutions (e.g., thru transfers using air lift pumps) may increase the hazards of TBP decomposition reactions by lowering the H{sub 2}O/HNO{sub 3} molar ratios. Runaway reactions were not observed under the conditions of this study. Possible reaction mechanisms and pathways are discussed.

Hou, Y.; Barefield, E.K.; Tedder, D.W.; Abdel-Khalik, S.I. [Georgia Institute of Technology, Atlanta, GA (United States)

1995-12-31T23:59:59.000Z

288

Development of alternate extractant systems for fast reactor fuel cycle  

SciTech Connect (OSTI)

Due to the limitations of TBP in processing of high burn-up, Pu-rich fast reactor fuels, there is a need to develop alternate extractants for fast reactor fuel processing. In this context, our Centre has been examining the suitability of alternate tri-alkyl phosphates. Third phase formation in the extraction of Th(IV) by TBP, tri-n-amyl phosphate (TAP) and tri-2-methyl-butyl phosphate (T2MBP) from nitric acid media has been investigated under various conditions to derive conclusions on their application for extraction of Pu at macro levels. The chemical and radiolytic degradation of tri-n-amyl-phosphate (TAP) diluted in normal paraffin hydrocarbon (NPH) in the presence of nitric acid has been investigated by the measurement of plutonium retention in organic phase. The potential application of room temperature ionic liquids (RTILs) for reprocessing of spent nuclear fuel has been explored. Extraction of uranium (VI) and palladium (II) from nitric acid medium by commercially available RTIL and tri-n-butyl phosphate solution in RTIL have been studied and the feasibility of electrodeposition of uranium as uranium oxide (UO{sub 2}) and palladium (II) as metallic palladium from the loaded organic phase have been demonstrated. This paper describes results of the above studies and discusses the suitability of the systems for fast reactor fuel reprocessing. (authors)

Vasudeva Rao, P.R.; Suresh, A.; Venkatesan, K.A.; Srinivasan, T.G.; Raj, Baldev [Indira Gandhi Centre for Atomic Research, Kalpakkam - 603 102 (India)

2007-07-01T23:59:59.000Z

289

Uranium(VI) extraction by TBP in the presence of HDBP  

SciTech Connect (OSTI)

The influence of di-n-butyl phosphoric acid (HDBP) upon extraction of uranium(VI) by tri-n-butyl phosphate (TBP) from 0.5--3.0 M nitric acid solutions has been studied. It has been shown that the uranium(VI) distribution coefficient D{sub U} for extraction by 1.1 M TBP in tri-decane or xylene is increased when HDBP is present in the organic phase. For iso-molar solutions of (TBP + HDBP) with a total concentration of 0.36 M, and Uranium(VI) aqueous concentration up to 10--20 g/l, a maximum value of D{sub U} is observed when TBP/HDBP = 1; for higher U(VI) concentration the maximum gradually disappears, with D{sub U} growing monotonically with the HDBP content in the organic phase. Uranium(VI) absorption spectra for 1.1 M TBP in tri-decane or xylene, containing HDBP, provide evidence for the formation of compounds, of which composition is intermediate between uranyl nitrate--TBP disolvate and the U(VI)--HDBP complex. It is proposed that these intermediate compounds are UO{sub 2}(NO{sub 3}){sub 2}HDBP.TBP and UO{sub 2}(NO{sub 3}){sub 2}(HDBP){sub 2}.

Fedorov, Yu.S.; Zilberman, B.Ya.; Kulikov, S.M.; Blazheva, I.V.; Mishin, E.N. [V.G. Khlopin Radium Inst., Saint-Petersburg (Russian Federation); Wallwork, A.L.; Denniss, I.S.; May, I. [British Nuclear Fuels plc, Sellafield (United Kingdom); Hill, N.J. [British Nuclear Fuels plc, Risley (United Kingdom)

1999-03-01T23:59:59.000Z

290

Preparation and characterization of gradient polymer films  

SciTech Connect (OSTI)

Gradient polymers are multicomponent polymers whose chemical constitution varies with depth in the sample. Although these polymers may possess unique mechanical, optical, and barrier properties they remain relatively unexplored. This work is a study of the preparation of gradient polymers by sequential exposure of films to a diffusing monomer followed by electron beam irradiation. Initial experiments involved immersion of poly(vinyl chloride) (PVC) films in styrene or n-butyl methacrylate (BMA) for various time periods followed by irradiation with 1 or 10 megarads of accelerated electrons. A significant amount of poly(n-butyl methacrylate) (PBMA) formed in PVC/BMA systems, but little polystyrene could be found in the PVC/styrene films. A second set of experiments involved immersion of PVC and polyethylene (PE) films in BMA for 20, 40, 60, and 720 minutes followed by irradiation with 10 megarads of electrons. These films were then characterized using optical microscopy, quantitative transmission Fourier transform infrared spectroscopy (FTIR), and a depth profiling procedure based on quantitative attenuated total reflection (ATR) FTIR. It was concluded that the mechanism of PBMA formation in the polyethylene films was a result of events immediately following irradiation. Atmospheric oxygen diffusing into irradiated films trapped free radicals at the film surfaces. This was followed by storage in an evacuated desiccator where unintentional exposure to BMA vapor took place. This BMA reacted with free radicals that remained within the film cores, polymerizing to PBMA.

Smith, S.C.

1987-01-01T23:59:59.000Z

291

Induction of NAD(P)H:quinone reductase in murine hepatoma cells by phenolic antioxidants, azo dyes, and other chemoprotectors: a model system for the study of anticarcinogens  

SciTech Connect (OSTI)

Exposure of murine hepatoma (Hepa 1c1c7) cells to a variety of chemical agents known to protect animals against the neoplastic, mutagenic, and other toxic effects of chemical carcinogens results in dose- and time-dependent inductions of NAD(P)H:quinone reductase (EC 1.6.99.2). This enzyme protects against quinone toxicity by promoting obligatory two-electron reductions that divert quinones from oxidative cycling or direct interactions with critical nucleophiles. Quinone reductase levels are stable in culture, are easily measured, and are useful markers for the inductive effects of chemoprotective agents. The Hepa 1c1c7 system responds to chemoprotective compounds such as phenolic antioxidants /e.g., BHA (3(2)-tert-butyl-4-hydroxyanisole), BHT (3,5-di-tert-butyl-4-hydroxytoluene), and tert-butylhydroquinone/, lipophilic azo dyes belonging to the 1,1'-azonaphthalene, Sudan I (1-phenylazo-2-naphthol), and Sudan III (1-(4-phenylazophenylazo)-2-naphthol) families, polycyclic aromatic hydrocarbons, coumarin and various other lactones, flavonoids, and certain sulfur compounds (e.g., benzylisothiocyanate, dithiolthiones, and dithiocarbamates), all of which are recognized enzyme inducers and chemoprotectors in vivo. Quinone reductase induction in Hepa 1c1c7 cells therefore provides a simple, versatile, and reliable system for the evaluation of the potency, kinetics, and mechanism of action of anticarcinogens.

De Long, M.J.; Prochaska, H.J.; Talalay, P.

1986-02-01T23:59:59.000Z

292

Remediation of water contamination using catalytic technologies  

Science Journals Connector (OSTI)

Remediation of contaminated ground and underground water is becoming a critical issue in Europe and worldwide. We discuss here the role of catalysis in water remediation, with reference to two specific examples of catalytic water remediation technologies: (i) the elimination of nitrate and pesticides from water contaminated as a result of agricultural practices and (ii) the conversion of methyl tert-butyl ether (MTBE) in contaminated underground water. Of particular interest is a technology based on catalytic membranes for remediation of water contaminated by nitrate, which offers various advantages with respect to conventional technologies. Using a Pd-Cu-based catalytic membrane, a reaction temperature below 15 °C, a mixed 4:1 CO2:H2 feed and controlling bulk solution pH by \\{HCl\\} addition, it is possible to obtain a nitrate conversion higher than 80% even with ammonium ion formation below 0.5 ppm, i.e. the maximum concentration allowed to meet the requirements for drinking water quality. In MTBE conversion in contaminated underground water, acid zeolites with suitable pore structures (channel structure and pore openings) such as H-ZSM-5 and H-BEA can be used as catalytic permeable reactive barriers for in situ remediation. These zeolites not only act as adsorbents for both MTBE and its reaction products, but also effectively catalyze the hydrolysis of MTBE to t-butyl alcohol (TBA) and methanol (MeOH) which then can be rapidly biodegraded by indigenous microorganisms.

Gabriele Centi; Siglinda Perathoner

2003-01-01T23:59:59.000Z

293

Reductive Coupling of [(RO)2Ti(L2)2] Complexes Containing a Chelating Bis(aryloxide) Ligand with Ketones (L2 = bpy, dmbpy, or phen)  

Science Journals Connector (OSTI)

[(RO)2Ti(L2)2] complexes {(RO)2 = DMSC = 1,2-alternate dimethylsilyl-bridged p-tert-butylcalix[4]arene dianion, or MBMP = 2,2‘-methylenebis(6-tert-butyl-4-methylphenol) dianion; L2 = bpy, dmbpy, or phen} react with aromatic ketones in a reversible manner to afford Ti-?2-ketone complexes [(RO)2Ti(?2-OCArR)(L2)] (Ar = aryl, while R = aryl or alkyl), which undergo further reaction with ketone to give the corresponding 2-aza-5-oxa-titanacyclopentene. ... The reactivity of [(RO)2Ti(L2)2] complexes (L2 = bpy, dmbpy, or phen; (RO)2 = DMSC or MBMP) with ketones was investigated (DMSC = 1,2-alternate dimethylsilyl-bridged p-tert-butylcalix[4]arene dianion; MBMP = 2,2‘-methylenebis(6-tert-butyl-4-methylphenol) dianion). ... The molecular structures of [(DMSC)Ti(bpy)2] (6a) and [(DMSC)Ti(bpy)2] (7a) were characterized by X-ray crystallography. ...

David Owiny; Jesudoss V. Kingston; Marc Maynor; Sean Parkin; Jeff W. Kampf; Folami T. Ladipo

2005-07-06T23:59:59.000Z

294

Synthesis, Structure, and Reactivity ofbis(1,2,4-tri-t-butylcyclopentadienyl) Complexes of Cerium  

SciTech Connect (OSTI)

The sterically demanding 1,2,4-tri-t-butylcyclopentadienylligand (1,2,4-(Me3C)3C5H2, hereafter Cp') has been used to preparemonomeric cerium metallocenes, Cp 2CeX (X = Cl, I, OSO2CF3), which areused to synthesize the benzyl, Cp'2CeCH2C6H5. The benzyl is a usefulstarting material for preparing other complexes in the Cp'2CeZ system (Z= BF4, F, NH2, C6H5, H). X-ray crystal structures of Cp'2CeOSO2CF3,Cp'2CeF, Cp'2CeCH2C6H5, and Cp'2CeH are presented. The benzyl slowlydecomposes in solution to toluene and a metallacycle,[Cp'][(Me3C)2C5H2(CMe2CH2)]Ce. The ring CMe3 groups of both themetallacycle and the hydride, Cp'2CeH, can be fully deuterated byprolonged exposure to C6D6, providing a useful labeling tool inmechanistic studies.The hydride activates C-F and/or C-H bonds influorobenzenes, C6HxF6-x , x = 0-5. The reactions are selective, with theselectivity depending on the presence of two fluorines ortho to thereaction site more than on the type of bond activated. Complexes of thetype Cp'2CeC6HxF5-x , x = 0-4, are formed as intermediates, which slowlydecompose in solution to Cp'2CeF and fluorobenzynes, C6HxF4-x, x = 0-4,which are trapped. The rate at which Cp'2CeC6HxF5-x complexes decomposeincreases as the number of fluorines decreases. Complexes with oneortho-fluorine decompose much faster than those with two ortho-fluorines.The metallacycle activates only C-H bonds in fluorobenzenes, permittingthe synthesis of specific Cp'2CeC6HxF5-x complexes. The crystal structureof Cp'2CeC6F5 is presented. The hydride and the metallacycle react withfluoromethanes, CH4-xFx, x = 1-3, through postulated Cp'2CeCH3-xFxintermediates to generate Cp'2CeF and other products. The other products,CH4, tri-t-butylbenzenes, tri-t-butylfluorobenzenes, and a presumedmetallocene cerium fluoride with one Cp' and one (Me2EtC)(Me3C)2C5H2ligand, suggest a decomposition pathway for Cp'2CeCH3-xFx , x = 1-3, thatinvolves carbenes or carbenoids, which are trapped. The hydridepolymerizes ethylene, but hydrogenates other olefins. The metallacycleactivates C-H bonds in olefins and aromatics to generate new complexeswith Ce-C bonds. The hydride reacts with one equivalent of CO in pentaneto generate (Cp'2Ce)2CH2O, whose crystal structure shows the presence ofa bridging dianionic formaldehyde ligand. (Cp'2Ce)2CH2O reacts H2 to givethe hydride and Cp'2CeOMe, or with a mixture of H2 and CO to generateCp'2CeOMe exclusively. (Cp'2Ce)2CH2O or the hydride can react with anadditional equivalent of CO to generate dimeric enediolate,(Cp'2CeCHO)2.

Werkema, Evan L.

2005-05-19T23:59:59.000Z

295

@Title = Definitions of Petroleum Products and Other Terms  

U.S. Energy Information Administration (EIA) Indexed Site

Definitions of Petroleum Products and Other Terms (Revised January 2010) Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH 3 - (CH 2 )n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usually refers to the high octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation. A refining process for chemically combining isobutane with olefin hydrocarbons (e.g., propylene, butylene) through the control of temperature and pressure in the presence of an acid catalyst, usually sulfuric acid or hydrofluoric acid. The product, alkylate, an

296

MTBE Production Economics  

Gasoline and Diesel Fuel Update (EIA)

MTBE Production MTBE Production Economics Tancred C. M. Lidderdale Contents 1. Summary 2. MTBE Production Costs 3. Relationship between price of MTBE and Reformulated Gasoline 4. Influence of Natural Gas Prices on the Gasoline Market 5. Regression Results 6. Data Sources 7. End Notes 1. Summary Last year the price of MTBE (methyl tertiary butyl ether) increased dramatically on two occasions (Figure 1) (see Data Sources at end of article.): 1. Between April and June 2000, the price (U.S. Gulf Coast waterborne market) of MTBE rose from $1.00 per gallon to over $1.60 per gallon. This represented an increase in the price premium for MTBE over the wholesale price of conventional gasoline from its normal (1995 though 2000 average) $0.26 per gallon to $0.60 per gallon. The MTBE

297

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

Total Stocks Total Stocks Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether), butane, and pentanes plus. Asphalt A dark-brown-to-black cement-like material containing bitumens as the predominant constituent obtained by petroleum processing; used primarily for road construction. It includes crude asphalt as well as the following finished products: cements, fluxes, the asphalt content of emulsions (exclusive of water), and petroleum distillates blended with asphalt to make cutback asphalts. Note: The conversion factor for asphalt is 5.5 barrels per short ton.

298

Annual Energy Outlook 2005-Acronyms  

Gasoline and Diesel Fuel Update (EIA)

AD AD Associated-dissolved (natural gas) AEO2004 Annual Energy Outlook 2004 AEO2005 Annual Energy Outlook 2005 Altos Altos Partners AMT Alternative Minimum Tax ANWR Arctic National Wildlife Refuge Btu British thermal unit CAFE Corporate average fuel economy CAMR Clean Air Mercury Rule CARB California Air Resources Board CBECS Commercial Buildings Energy Consumption Survey (EIA) CBO Congressional Budget Office CCCC Climate Change Credit Corporation CH 4 Methane CHP Combined heat and power CO 2 Carbon dioxide CTL Coal-to-liquids DB Deutsche Bank, A.G. E85 Fuel containing a blend of 70 to 85 percent ethanol and 30 to 15 percent gasoline by volume EEA Energy and Environmental Analysis, Inc. EIA Energy Information Administration EPA U.S. Environmental Protection Agency EPACT Energy Policy Act of 1992 ETBE Ethyl tertiary butyl ether EVA Energy Ventures Analysis, Incorporated FERC

299

Word Pro - Untitled1  

U.S. Energy Information Administration (EIA) Indexed Site

chemical compounds composed of chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group: CH 3 -(CH 2 )n-OH (e.g., metha- nol, ethanol, and tertiary butyl alcohol). See Fuel Ethanol. Alternative Fuel: Alternative fuels, for transportation applications, include the following: methanol; denatured ethanol, and other alcohols; fuel mixtures contain- ing 85 percent or more by volume of methanol, denatured ethanol, and other alco- hols with motor gasoline or other fuels; natural gas; liquefied petroleum gas (propane); hydrogen; coal-derived liquid fuels; fuels (other than alcohol) derived from biological materials (biofuels such as soy diesel fuel); electricity (including electricity from solar energy); and "... any other fuel the Secretary determines, by

300

Alternative Fuels Data Center: Biobutanol  

Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

Biobutanol to someone Biobutanol to someone by E-mail Share Alternative Fuels Data Center: Biobutanol on Facebook Tweet about Alternative Fuels Data Center: Biobutanol on Twitter Bookmark Alternative Fuels Data Center: Biobutanol on Google Bookmark Alternative Fuels Data Center: Biobutanol on Delicious Rank Alternative Fuels Data Center: Biobutanol on Digg Find More places to share Alternative Fuels Data Center: Biobutanol on AddThis.com... More in this section... Biobutanol Drop-In Biofuels Methanol P-Series Renewable Natural Gas xTL Fuels Biobutanol Biobutanol is a 4-carbon alcohol (butyl alcohol) produced from the same feedstocks as ethanol including corn, sugar beets, and other biomass feedstocks. Butanol is generally used as an industrial solvent in products such as lacquers and enamels, but it also can be blended with other fuels

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Status and Impact of State MTBE Bans  

Gasoline and Diesel Fuel Update (EIA)

Status and Impact of State MTBE Bans Status and Impact of State MTBE Bans Background As a result of the Clean Air Act Amendments of 1990 (CAAA90), the year-round use of reformulated gasoline (RFG) has been required in cities with the worst smog problems since 1995 (Figure 1). One of the requirements of RFG specified by CAAA90 is a 2- percent oxygen requirement, which is met by blending "oxygenates," 1 including methyl tertiary butyl ether (MTBE) and ethanol, into the gasoline. MTBE is the oxygenate used in almost all RFG outside of the Midwest. Ethanol is currently used in the Midwest as an oxygenate in RFG and as an octane booster and volume extender in conventional gasoline. Several years ago, MTBE was detected in water supplies scattered throughout the country, but predominantly in areas using RFG. MTBE from RFG was apparently

302

MTBE, Oxygenates, and Motor Gasoline  

Gasoline and Diesel Fuel Update (EIA)

MTBE, Oxygenates, and MTBE, Oxygenates, and Motor Gasoline Contents * Introduction * Federal gasoline product quality regulations * What are oxygenates? * Who gets gasoline with oxygenates? * Which areas get MTBE? * How much has been invested in MTBE production capacity? * What does new Ethanol capacity cost? * What would an MTBE ban cost? * On-line information resources * Endnotes * Summary of revisions to this analysis Introduction The blending of methyl tertiary butyl ether (MTBE) into motor gasoline has increased dramatically since it was first produced 20 years ago. MTBE usage grew in the early 1980's in response to octane demand resulting initially from the phaseout of lead from gasoline and later from rising demand for premium gasoline. The oxygenated gasoline program stimulated an

303

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

Weekly Supply Estimates Weekly Supply Estimates Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether), butane, and pentanes plus. Asphalt A dark-brown-to-black cement-like material containing bitumens as the predominant constituent obtained by petroleum processing; used primarily for road construction. It includes crude asphalt as well as the following finished products: cements, fluxes, the asphalt content of emulsions (exclusive of water), and petroleum distillates blended with asphalt to make cutback asphalts. Note: The conversion factor for asphalt is 5.5 barrels per short ton.

304

Annual Energy Outlook 2000 - Acronyms  

Gasoline and Diesel Fuel Update (EIA)

Homepage Homepage ACEEE American Council for an Energy-Efficient Economy AD Associated-dissolved (natural gas) AEO Annual Energy Outlook AGA American Gas Association ANWR Arctic National Wildlife Refuge API American Petroleum Institute BRP Blue Ribbon Panel Btu British thermal unit CAAA90 Clean Air Act Amendments of 1990 CARB California Air Resources Board CCAP Climate Change Action Plan CDM Clean Development Mechanism CECA Comprehensive Electricity Competition Act CIDI Compression ignition direct injection CO Carbon monoxide DBAB Deutsche Banc Alex. Brown DOE U.S. Department of Energy DRI Standard & PoorÂ’s DRI EIA Energy Information Administration EOR Enhanced oil recovery EPA U.S. Environmental Protection Agency EPACT Energy Policy Act of 1992 ETBE Ethyl tertiary butyl ether

305

Appendix A - Acronyms  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

A - ACRONYMS A - ACRONYMS AASHTO American Association of State Highway and Transportation Officials CNG Compressed Natural Gases CVO Commercial Vehicle Operation DOE Department of Energy DOT Department of Transportation E85 85% Ethanol, 15% Gasoline EPA Environmental Protection Agency ExFIRS Excise Files Information Retrieval System ExSTARS Excise Summary Terminal Activity Reporting System FHWA Federal Highway Administration FTA Federation of Tax Administrators GAO General Accounting Office HTF Highway Trust Fund IFTA International Fuel Tax Agreement IM Interstate Maintenance IRS Internal Revenue Service LNG Liquid Natural Gases LPG Liquefied Petroleum Gases M85 85% Methanol, 15% Gasoline MTBE Methyl Tertiary Butyl Ether NHS National Highway System ORNL Oak Ridge National Laboratory STP Surface Transportation Program

306

Word Pro - Untitled1  

U.S. Energy Information Administration (EIA) Indexed Site

chemical chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH(3)-(CH(2)) n -OH (e.g., methanol, ethanol, and tertiary butyl alcohol). See Fuel Ethanol. Alternative Fuel: Alternative fuels, for transportation applications, include the following: methanol; denatured ethanol, and other alcohols; fuel mixtures containing 85 percent or more by volume of methanol, denatured ethanol, and other alcohols with motor gasoline or other fuels; natural gas; liquefied petroleum gas (propane); hydro- gen; coal-derived liquid fuels; fuels (other than alcohol) derived from biological materials (biofuels such as soy diesel fuel); electricity (including electricity from solar

307

Total Blender Net Input of Petroleum Products  

U.S. Energy Information Administration (EIA) Indexed Site

Input Input Product: Total Input Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquid Petroleum Gases Normal Butane Isobutane Other Liquids Oxygenates/Renewables Methyl Tertiary Butyl Ether (MTBE) Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other Renewable Fuels Unfinished Oils (net) Unfinished Oils, Naphthas and Lighter Unfinished Oils, Kerosene and Light Gas Oils Unfinished Oils, Heavy Gas Oils Residuum Motor Gasoline Blending Components (MGBC) (net) MGBC - Reformulated MGBC - Reformulated - RBOB MGBC - Reformulated, RBOB for Blending w/ Alcohol MGBC - Reformulated, RBOB for Blending w/ Ether MGBC - Reformulated, GTAB MGBC - Conventional MGBC - Conventional, CBOB MGBC - Conventional, GTAB MGBC - Other Conventional Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day

308

Motor Gasoline Outlook and State MTBE Bans  

Gasoline and Diesel Fuel Update (EIA)

Motor Gasoline Outlook Motor Gasoline Outlook and State MTBE Bans Tancred Lidderdale Contents 1. Summary 2. MTBE Supply and Demand 3. Ethanol Supply 4. Gasoline Supply 5. Gasoline Prices A. Long-Term Equilibrium Price Analysis B. Short-Term Price Volatility 6. Conclusion 7. Appendix A. Estimating MTBE Consumption by State 8. Appendix B. MTBE Imports and Exports 9. Appendix C. Glossary of Terms 10. End Notes 11. References 1. Summary The U.S. is beginning the summer 2003 driving season with lower gasoline inventories and higher prices than last year. Recovery from this tight gasoline market could be made more difficult by impending State bans on the blending of methyl tertiary butyl ether (MTBE) into gasoline that are scheduled to begin later this year. Three impending State bans on MTBE blending could significantly affect gasoline

309

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

Imports & Exports Imports & Exports Definitions Key Terms Definition All Other Motor Gasoline Blending Components Naphthas (e.g. straight-run gasoline, alkylate, reformate, benzene, toluene, xylene) used for blending or compounding into finished motor gasoline. Includes receipts and inputs of Gasoline Treated as Blendstock (GTAB). Excludes conventional blendstock for oxygenate blending (CBOB), reformulated blendstock for oxygenate blending, oxygenates (e.g. fuel ethanol and methyl tertiary butyl ether), butane, and pentanes plus. Barrel A unit of volume equal to 42 U.S. gallons. Conventional Blendstock for Oxygenate Blending (CBOB) Motor gasoline blending components intended for blending with oxygenates to produce finished conventional motor gasoline. Conventional Gasoline Finished motor gasoline not included in the oxygenated or reformulated gasoline categories. Excludes reformulated gasoline blendstock for oxygenate blending (RBOB) as well as other blendstock.

310

PSADEFS.CHP:Corel VENTURA  

Gasoline and Diesel Fuel Update (EIA)

Definitions Definitions of Petroleum Products and Other Terms Alcohol. The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH 3 - (CH 2 )n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate. The product of an alkylation reaction. It usu- ally refers to the high octane product from alkylation units. This alkylate is used in blending high octane gaso- line. Alkylation. A refining process for chemically combining isobutane with olefin hydrocarbons (e.g., propylene, buty- lene) through the control of temperature and pressure in the presence of an acid catalyst, usually sulfuric acid or hydrofluoric acid. The product, alkylate, an isoparaffin, has high octane value and is blended with motor and aviation gasoline to improve the antiknock

311

Eliminating MTBE in Gasoline in 2006  

Gasoline and Diesel Fuel Update (EIA)

02/22/2006 02/22/2006 Eliminating MTBE in Gasoline in 2006 Summary In 2005, a number of petroleum companies announced their intent to remove methyl tertiary-butyl ether (MTBE) from their gasoline in 2006. Companies' decisions to eliminate MTBE have been driven by State bans due to water contamination concerns, continuing liability exposure from adding MTBE to gasoline, and perceived potential for increased liability exposure due to the elimination of the oxygen content requirement for reformulated gasoline (RFG) included in the Energy Policy Act of 2005. EIA's informal discussions with a number of suppliers indicate that most of the industry is trying to move away from MTBE before the 2006 summer driving season. Currently, the largest use of MTBE is in RFG consumed on the East Coast outside of

312

Annual Energy Outlook 1999 - Acronyms  

Gasoline and Diesel Fuel Update (EIA)

acronyms.gif (3491 bytes) acronyms.gif (3491 bytes) AD - Associated/dissolved natural gas AEO98 - Annual Energy Outlook 1998 AEO99 - Annual Energy Outlook 1999 AFVs - Alternative-fuel vehicles AGA - American Gas Association API - American Petroleum Institute BTAB - BT Alex Brown CAAA90 - Clean Air Act Amendments of 1990 CCAP - Climate Change Action Plan CDM - Clean Development Mechanism CFCs - Chlorofluorocarbons CNG - Compressed natural gas CO - Carbon monoxide CO2 - Carbon dioxide DOE - U.S. Department of Energy DRI - DRI/McGraw-Hill EIA - Energy Information Administration EOR - Enhanced oil recovery EPA - U.S. Environmental Protection Agency EPACT - Energy Policy Act of 1992 ETBE - Ethyl tertiary butyl ether EU - European Union FERC - Federal Energy Regulatory Commission GDP - Gross domestic product

313

Why Sequence Pseudonocardia dioxanivorans?  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Pseudonocardia dioxanivorans? Pseudonocardia dioxanivorans? Ethers such as 1,4-dioxane, tetrahydrofuran, and methyl tert-butyl ether are widespread contaminants of groundwater resources. 1,4-Dioxane is widely used as a stabilizer for chlorinated solvents such as 1,1,1-trichloroethane (TCA). 1,4-Dioxane is a carcinogen, and causes acute toxic effects on the nervous system, liver, and kidneys. One promising approach for remediating 1,4-dioxane-impacted water supplies is in-situ bioremediation using aerobic bacteria. Pseudonocardia dioxanivorans CB1190 is a unique bacterial strain that can grow using 1,4-dioxane as a sole source of carbon and energy. It can degrade several other water contaminants and also fix dinitrogen, making it an attractive bioaugmentation culture even for nitrogen-limited

314

Total Refinery Net Input of Crude Oil and Petroleum Products  

U.S. Energy Information Administration (EIA) Indexed Site

Input Input Product: Total Crude Oil & Petroleum Products Crude Oil Natural Gas Plant Liquids Pentanes Plus Liquefied Petroleum Gases Normal Butane Isobutane Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Hydrogen Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other Renewable Fuels Other Hydrocarbons Unfinished Oils (net) Unfinished Oils, Naphthas and Lighter Unfinished Oils, Kerosene and Light Gas Oils Unfinished Oils, Heavy Gas Oils Residuum Motor Gasoline Blending Components (MGBC) (net) MGBC - Reformulated MGBC - Reformulated - RBOB MGBC - Reformulated, RBOB for Blending w/ Alcohol MGBC - Reformulated, RBOB for Blending w/ Ether MGBC - Conventional MGBC - CBOB MGBC - Conventional, GTAB MGBC - Other Conventional Aviation Gasoline Blending Components (net) Alaskan Crude Oil Receipts Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day

315

A Comparison of Electron-Transfer Dynamics in Ionic Liquids and Neutral  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Electron-Transfer Dynamics in Ionic Liquids and Neutral Electron-Transfer Dynamics in Ionic Liquids and Neutral Solvents Heather Y. Lee, Joseph B. Issa, Stephan S. Isied, Edward W. Castner, Jr., Yunfeng Pan, Charles L. Hussey, Kwang Soon Lee, and James F. Wishart J. Phys. Chem. C 116, 5197-5208 (2012). [Find paper at ACS Publications] or use ACS Articles on Request. Abstract: The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethyl¬sulfonyl)¬amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a

316

Glossary - U.S. Energy Information Administration (EIA)  

U.S. Energy Information Administration (EIA) Indexed Site

petroleum petroleum Alcohol: The family name of a group of organic chemical compounds composed of carbon, hydrogen, and oxygen. The series of molecules vary in chain length and are composed of a hydrocarbon plus a hydroxyl group; CH(3)-(CH(2))n-OH (e.g., methanol, ethanol, and tertiary butyl alcohol). Alkylate: The product of an alkylation reaction. It usually refers to the high-octane product from alkylation units. This alkylate is used in blending high octane gasoline. Alkylation: A refining process for chemically combining isobutane with olefin hydrocarbons (e.g., propylene, butylene) through the control of temperature and pressure in the presence of anacid catalyst, usually sulfuric acid or hydrofluoric acid. The product alkylate, an isoparaffin, has high octane value and is blended with motor and aviation gasoline to

317

fulltext.pdf  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Cellulose Cellulose solvent-based pretreatment for corn stover and avicel: concentrated phosphoric acid versus ionic liquid [BMIM]Cl Noppadon Sathitsuksanoh * Zhiguang Zhu * Y.-H. Percival Zhang Received: 27 October 2011 / Accepted: 26 April 2012 Ó Springer Science+Business Media B.V. 2012 Abstract Since cellulose accessibility has become more recognized as the major substrate characteristic limiting hydrolysis rates and glucan digestibilities, cellulose solvent-based lignocellulose pretreatments have gained attention. In this study, we employed cellulose solvent- and organic solvent-based lignocel- lulose fractionation using two cellulose solvents: concentrated phosphoric acid [*85 % (w/w) H 3 PO 4 ] and an ionic liquid Butyl-3-methylimidazolium chlo- ride ([BMIM]Cl). Enzymatic glucan digestibilities of concentrated phosphoric acid- and [BMIM]Cl-pre- treated

318

Why sequence ethene and vinyl chloride-oxidizing Mycobacterium strains?  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

sequence ethene and vinyl sequence ethene and vinyl chloride-oxidizing Mycobacterium strains? Mycobacteria are known for causing human and animal diseases but they are also important degraders of hard-to-break-down water contaminants such as polyaromatic hydrocarbons (PAHs) and methyl tert-butyl ether (MTBE). So far the handful of bacterial species representing the Mycobacterium genus that have been sequenced all break down PAHs. In this project, researchers focus on the genomes of mycobacterial species isolated from soil, freshwater and marine environments that use the alkene compounds ethene and vinyl chloride as carbon sources. Chlorinated ethene compounds are difficult to remove from contaminated groundwater but necessary because of their toxicity. Additionally these compounds reduce the ozone levels in the atmosphere.

319

10.1007%2Fs10570-013-0018-0.pdf  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Simulation Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution Barmak Mostofian * Jeremy C. Smith * Xiaolin Cheng Received: 24 April 2013 / Accepted: 1 August 2013 Ó Springer Science+Business Media Dordrecht (outside the USA) 2013 Abstract Ionic liquids dissolve cellulose in a more efficient and environmentally acceptable way than conventional methods in aqueous solution. An under- standing of how ionic liquids act on cellulose is essential for improving pretreatment conditions and thus detailed knowledge of the interactions between the cations, anions and cellulose is necessary. Here, to explore ionic liquid effects, we perform all-atom molecular dynamics simulations of a cellulose microfibril in 1-butyl-3- methylimidazolium chloride and analyze site-site inter- actions and cation orientations at the solute-solvent interface. The

320

Assessment of Summer RBOB Supply for NY & CT  

Gasoline and Diesel Fuel Update (EIA)

Update of Summer Reformulated Gasoline Supply Update of Summer Reformulated Gasoline Supply Assessment for New York and Connecticut May 5, 2004 In October 2003, EIA published a review of the status of the methyl tertiary butyl ether (MTBE) ban transition in New York (NY) and Connecticut (CT) 1 that noted significant uncertainties in gasoline supply for those States for the summer of 2004. To obtain updated information, EIA spoke to major suppliers to the two States over the past several months as the petroleum industry began the switch from winter- to summer-grade gasoline. As discussed on our earlier report, the NY and CT bans on MTBE mainly affect reformulated gasoline (RFG), which in recent years has been provided by domestic refineries on the East Coast (PADD 1) and imports. Our recent findings indicate that

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

In situ mass spectrometric study of pyrite (FeS{sub 2}) thin film deposition with metallorganic chemical vapor deposition  

SciTech Connect (OSTI)

Pyrite, FeS{sub 2}, thin films have been prepared by metallorganic chemical vapor deposition using tert-butyl disulfide (TBDS) and iron(III) acetylacetonate [Fe(acac){sub 3}] as the precursors and H{sub 2} as co-reactant. The reaction mechanism is studied with in situ mass spectrometry. The thermal decomposition of TBDS and Fe(acac){sub 3} has been investigated, as well as the synthesis of FeS{sub 2}. A complicated gas-phase reaction chain occurs in the deposition reaction. In the first 1--2 cm of the deposition zone, thick rough films are formed, but further downstream in the reactor a smooth FeS{sub 2} film is deposited. This remarkable change in morphology is accounted for in the proposed reaction mechanism.

Reijnen, L.; Meester, B.; Goossens, A.; Schoonman, J.

2000-05-01T23:59:59.000Z

322

Process for recovering actinide values  

DOE Patents [OSTI]

A process for rendering actinide values recoverable from sodium carbonate scrub waste solutions containing these and other values along with organic compounds resulting from the radiolytic and hydrolytic degradation of neutral organophosphorous extractants such as tri-n butyl phosphate (TBP) and dihexyl-N,N-diethyl carbamylmethylene phosphonate (DHDECAMP) which have been used in the reprocessing of irradiated nuclear reactor fuels. The scrub waste solution is preferably made acidic with mineral acid, to form a feed solution which is then contacted with a water-immiscible, highly polar organic extractant which selectively extracts the degradation products from the feed solution. The feed solution can then be processed to recover the actinides for storage or recycled back into the high-level waste process stream. The extractant is recycled after stripping the degradation products with a neutral sodium carbonate solution.

Horwitz, E. Philip (Elmhurst, IL); Mason, George W. (Clarendon Hills, IL)

1980-01-01T23:59:59.000Z

323

energy savings by the use of mtbe to replace alkylate in automotive gasolines  

SciTech Connect (OSTI)

This paper presents data on the differences in energy consumption in the production of leaded and unleaded AI-93 gasolines with various blend components. The authors investigate as high-octane components certain products that are more effective in use and less energy-consuming in production in comparison with alkylate. In particular, methyl tert-butyl ether (MTBE) is discussed; it is not poisonous, it has a high heat of combustion, and it does not attack materials of construction. The addition of 11% MTBE to gasoline lowers the cold start temperature of engines by 10-12 degrees. Moreover, no adjustment of the carburetor is required for the changeover to gasoline with 11% MTBE.

Englin, B.A.; Emel'yanov, V.E.; Terent'ev, G.A.; Vinogradov, A.M.

1986-07-01T23:59:59.000Z

324

Synthesis and physical properties of novel perfluorinated methylene oxide oligomers. The ultimate low temperature fluids  

SciTech Connect (OSTI)

Perfluorinated polyethers are a class of substances which are extremely inert and have both extraordinary high temperature stability and low temperature properties. The synthesis of perfluorinated polyformaldehydes with the highest oxygen content was designed to give the maximum liquid range and low temperature properties. Novel low molecular weight perfluorinated polyformaldehydes with stable and unreactive perfluoro-n-butyl end groups were prepared by liquid-phase direct fluorination. The boiling point of these compounds increases by approximately 20{degree}C with the addition of each difluoromethylene oxide unit. This trend does not continue for longer chain lengths (n > 4) where the increase in boiling point per CF{sub 2}O unit diminishes. The average increase of melting temperature is approximately 1-2{degree}C as the perfluorinated polyformaldehyde chain increases one difluoromethylene oxide unit. The new perfluoropolyether fluids produced have melting points ranging from -145 to -152{degree}C. 33 refs., 3 tabs.

Sung, K.; Lagow, R.J. [Univ. of Texas, Austin, TX (United States)

1995-04-19T23:59:59.000Z

325

Proceedings of conference on fleet use of unique automotive fuels  

SciTech Connect (OSTI)

Papers and/or summaries of presentations which were given at the conference are included in this volume. The conference was concerned with alcohol and emergency fuels. Topics covered include: ethanol supply; Texaco lead-free gasohol distribution; the BETC fleet test program; the army fleet test program; tri-butyl alcohol and methanol in gasoline (blending, distribution, utilization); the DOE alcohol fuels utilization program; DOE engineering and reliability fleet test results; federal emergency energy policy; emergency transportation resource management; EPA emergency action; DOE transportation emergency fuels program; and emergency fuels utilization guidebook. Summaries of the 2 panel discussions are also included. Separate abstracts of 5 papers have been prepared for inclusion in the Energy Data Base. There are 10 summaries in this document which have not been abstracted separately. (DMC)

Not Available

1980-01-01T23:59:59.000Z

326

CHARACTERIZATION OF TENSILE STRENGTH OF GLOVEBOX GLOVES  

SciTech Connect (OSTI)

A task was undertaken to compare various properties of different glovebox gloves, having various compositions, for use in gloveboxes at the Savannah River Site (SRS). One aspect of this project was to determine the tensile strength (TS) of the gloves. Longitudinal tensile samples were cut from 15 different gloves and tensile tested. The stress, load, and elongation at failure were determined. All of the gloves that are approved for glovebox use and listed in the glovebox procurement specification met the tensile and elongation requirements. The Viton{reg_sign} compound gloves are not listed in the specification, but exhibited lower tensile strengths than permissible based on the Butyl rubber requirements. Piercan Polyurethane gloves were the thinnest samples and exhibited the highest tensile strength of the materials tested.

Korinko, P.; Chapman, G.

2012-02-29T23:59:59.000Z

327

Catalytic distillation process  

DOE Patents [OSTI]

A method is described for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C[sub 4] feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

Smith, L.A. Jr.

1982-06-22T23:59:59.000Z

328

Catalytic distillation process  

DOE Patents [OSTI]

A method for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C.sub.4 feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

Smith, Jr., Lawrence A. (Bellaire, TX)

1982-01-01T23:59:59.000Z

329

Process for producing gasoline of high octane number, in particular lead-free gasoline  

SciTech Connect (OSTI)

A process is described for producing gasoline of high octane number from C/sub 3/ and C/sub 4/ olefinic cuts, such as those obtained by fractional distillation of a C/sub 3/ / C/sub 4/ catalytic cracking cut. It includes the steps of: (A) oligomerizing propylene of the C/sub 3/ cut to obtain a first gasoline fraction, (B) reacting the isobutene of the C/sub 4/ cut with methanol to produce methyl tert.-butyl ether which is separated from the unreacted C/sub 4/ hydrocarbons to form a second gasoline fraction, (C) alkylating said unreacted C/sub 4/ hydrocarbons with isobutane in the presence of an alkylation catalyst such as hydrofluoric acid, to form a third gasoline fraction, and (D) admixing, at least partially, said first, second and third gasoline fractions, so as to obtain gasoline of high octane number.

Chauvin, Y.; Gaillard, J.; Hellin, M.; Torck, B.; Vu, Q.D.

1981-06-02T23:59:59.000Z

330

A free radical equilibrium in the fluidized bed retort  

SciTech Connect (OSTI)

The solid-recycle fluidized bed retort has been used to study gas phase local equilibria in an oil shale pyrolyzer. In the LLNL pilot scale retort, light gases, methane, ethane, ethylene, and propylene, form in a ratio that is inconsistent with equilibration, and they are not equilibrated when recycled. However, in a variety of fluidized bed retorting experiments, the free radical precursors of these gases come to a steady state that requires a transient free radical equilibrium. The steady state is established very rapidly, without need for gas recycle. The 1- and 2-butyl free radicals have been investigated as representative intermediates. The steady state mechanism extends to the entire homologous series of free radicals, and offers a means to achieve improved liquid product yield. 12 refs., 4 figs., 2 tabs.

Coburn, T.T.; Droege, M.W.

1986-11-01T23:59:59.000Z

331

Pool octanes via oxygenates  

SciTech Connect (OSTI)

Increasingly stringent antipollution regulations placed on automobile exhaust gases with consequent reduction or complete lead ban from motor gasoline result in octane shortage at many manufacturing sites. Attractive solutions to this problem, especially in conjunction with abundant methanol supplies, are the hydration and etherification of olefins contained in light product streams from cracking unit or produced by field gas dehydrogenation. A comparison is made between oxygenates octane-volume pool contributions and established refinery technologies. Process reviews for bulk manufacture of fuel-grade isopropanol (IPA), secondary butanol (SBA), tertiary butanol (TBA), methyl tertiary butyl ether (MTBE) and tertiary amyl methyl ether (TAME) are presented together with the characteristic investment and operating data. The implantation of these processes into a typical FCCU refinery complex with the resulting octane-pool improvement possibilities is descried.

Prezelj, M.

1987-09-01T23:59:59.000Z

332

Third phase formation in nitric acid extraction by n-octyl(phenyl)-n,n-diisobutylcarbamoylmethylphosphine oxide  

SciTech Connect (OSTI)

The third phase formation was studied as a function of n-octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) and tri-n-butyl phosphate (TBP) concentrations and temperature in the extraction of nitric acid. The concentration fractions of CMPO and TBP in the second and the third phases were determined by gas chromatography. Both CMPO and TBP were found to be enriched in the third phase. The concentrations of nitric acid in the second and the third phases relatively agreed with the calculated concentrations based on the extraction equilibrium constants of nitric acid by CMPO and TBP. The extraction of Np with the third phase formation was also discussed. 21 refs., 4 figs., 3 tabs.

Nagasaki, S.; Wisnubroto, D.S.; Enokida, Y.; Suzuki, A. (Univ. of Tokyo (Japan))

1994-03-01T23:59:59.000Z

333

Extraction equilibria between organic CMPO-n-dodecane and aqueous nitric acid phases for selected tank waste components  

SciTech Connect (OSTI)

Removal of the transuranium elements from tank-stored wastes is an important step in the cost effective treatment and preparation of these wastes for permanent disposal. One promising method of treatment involves dissolving the tank sludges in acid, followed by extraction of the transuranium species. The TRUEX process, which uses an extracting medium composed of octyl(phenyl)-N,N-diisobutylcarbamoylmethyl phosphine oxide (CMPO) and tri-n-butyl phosphate (TBP) dissolved in an organic solvent such as n-dodecane, is being tested for this purpose. Although CMPO is a powerful extractant for all the actinides, concern arises that certain process chemicals present in the waste will compete for the CMPO. Data will be presented on the pure component equilibrium characteristics of nitric acid, uranyl nitrate and bismuth nitrate partitioned between a nitric acid aqueous phase and a CMPO-n-dodecane organic phase.

Spencer, B.B.; Egan, B.Z. [Oak Ridge National Lab., TN (United States); Counce, R.M. [Univ. of Tennessee, Knoxville, TN (United States)

1996-10-01T23:59:59.000Z

334

Salt Effect Model for Aqueous Solubility of TBP in a 5 to 100% TBP/n-Dodecane-Nitric Acid-Water Biphasic System at 298.2 K  

SciTech Connect (OSTI)

The solubilities of nonelectrolytes in aqueous electrolyte solutions have traditionally been modeled by using the Setschenow equation for salt effect. The aqueous solubility of tri-n-butyl phosphate (TBP) during operating conditions of the Purex process is an important parameter for safety considerations. Use of the Setschenow equation for aqueous solubility of TBP under limited conditions has been reported in the literature. However, there is no general model available to account for the presence of the diluent and for the case of multicomponent electrolyte solutions in which only some electrolytes are solvated and extracted by TBP. An extended salt effect model is proposed for predicting the aqueous solubility of TBP in a 5 to 100% TBP/n-dodecane-nitric acid-water biphasic system at 298.2 K. The literature data on TBP solubility were correlated to aqueous acid concentration, diluent concentration in the solvents, and an interaction parameter for electrolytic solutes (extracted or not extracted by TBP)

Kumar, Shekhar; Koganti, Sudhir Babu [Indira Gandhi Centre for Atomic Research (India)

2000-02-15T23:59:59.000Z

335

Haze Formation and Behavior in Liquid-Liquid Extraction Processes  

SciTech Connect (OSTI)

Aqueous haze formation and behavior was studied in the liquid-liquid system tri-n-butyl phosphate in odorless kerosene and 3M nitric acid with uranyl nitrate and cesium nitrate representing the major solute and an impurity, respectively. A pulsed column, mixer-settler and centrifugal contactor were chosen to investigate the effect of different turbulence characteristics on the manifestation of haze since these contactors exhibit distinct mixing phenomena. The dispersive processes of drop coalescence and breakage, and water precipitation in the organic phase were observed to lead to the formation of haze drops of {approx}1 um in diameter. The interaction between the haze and primary drops of the dispersion was critical to the separation efficiency of the liquid-liquid extraction equipment. Conditions of high power input and spatially homogeneous mixing enabled the haze drops to become rapidly assimilated within the dispersion to maximize the scrub performance and separation efficiency of the equipment.

Arm, Stuart T.; Jenkins, J. A.

2006-07-31T23:59:59.000Z

336

Laparotomized Direct Puncture for Embolization of a Retroperitoneal Arteriovenous Fistula  

SciTech Connect (OSTI)

A 28-year-old woman was referred to our institution with hope for another child after having an abortion several months previously to avoid a potential risk of catastrophic hemorrhage from a retroperitoneal arteriovenous fistula (AVF) with enlarged and twisted draining veins in the pelvis. Multiple branches coming from the right lumbar arteries and the right iliac arteries fed fistulae converging on an enlarged venous pouch anterior to the psoas major muscle in the right retroperitoneal space. It seemed impossible to achieve complete occlusion of the lesion in a single session by either transarterial or transvenous approach. A laparotomy and direct puncture of the enlarged draining vein immediately downstream of the venous pouch was performed and embolization was done with n-butyl cyanoacrylate and the aid of coils. Complete occlusion of the retroperitoneal AVF was achieved and confirmed in control angiography 5 months later.

Inagawa, Shoichi, E-mail: sinagawa@med.niigata-u.ac.j [Niigata University Medical and Dental Hospital, Department of Radiology (Japan); Unno, Naoki [Hamamatsu University School of Medicine, Second Department of Surgery (Japan); Yamashita, Shuhei [Hamamatsu University School of Medicine, Department of Radiology (Japan); Tanaka, Hiroki [Hamamatsu University School of Medicine, Second Department of Surgery (Japan); Sakahara, Harumi [Hamamatsu University School of Medicine, Department of Radiology (Japan)

2010-02-15T23:59:59.000Z

337

Low emissions diesel fuel  

DOE Patents [OSTI]

A method and matter of composition for controlling NO.sub.x emissions from existing diesel engines. The method is achieved by adding a small amount of material to the diesel fuel to decrease the amount of NO.sub.x produced during combustion. Specifically, small amounts, less than about 1%, of urea or a triazine compound (methylol melamines) are added to diesel fuel. Because urea and triazine compounds are generally insoluble in diesel fuel, microemulsion technology is used to suspend or dissolve the urea or triazine compound in the diesel fuel. A typical fuel formulation includes 5% t-butyl alcohol, 4.5% water, 0.5% urea or triazine compound, 9% oleic acid, and 1% ethanolamine. The subject invention provides improved emissions in heavy diesel engines without the need for major modifications.

Compere, Alicia L. (Knoxville, TN); Griffith, William L. (Oak Ridge, TN); Dorsey, George F. (Farragut, TN); West, Brian H. (Kingston, TN)

1998-01-01T23:59:59.000Z

338

Modified cellulose synthase gene from 'Arabidopsis thaliana' confers herbicide resistance to plants  

SciTech Connect (OSTI)

Cellulose synthase ('CS'), a key enzyme in the biosynthesis of cellulose in plants is inhibited by herbicides comprising thiazolidinones such as 5-tert-butyl-carbamoyloxy-3-(3-trifluromethyl) phenyl-4-thiazolidinone (TZ), isoxaben and 2,6-dichlorobenzonitrile (DCB). Two mutant genes encoding isoxaben and TZ-resistant cellulose synthase have been isolated from isoxaben and TZ-resistant Arabidopsis thaliana mutants. When compared with the gene coding for isoxaben or TZ-sensitive cellulose synthase, one of the resistant CS genes contains a point mutation, wherein glycine residue 998 is replaced by an aspartic acid. The other resistant mutation is due to a threonine to isoleucine change at amino acid residue 942. The mutant CS gene can be used to impart herbicide resistance to a plant; thereby permitting the utilization of the herbicide as a single application at a concentration which ensures the complete or substantially complete killing of weeds, while leaving the transgenic crop plant essentially undamaged.

Somerville, Chris R.; Scieble, Wolf

2000-10-11T23:59:59.000Z

339

Molecular Vibrations of Quinones. III. Preparation and Infrared Spectra (Solution and Vapor) of p?Benzoquinone?d 1, p?Benzoquinone?2,5?d 2, p?Benzoquinone?2,6?d 2, p?Benzoquinone?18O2, and p?Benzoquinone?d 4?18O2  

Science Journals Connector (OSTI)

Three specifically deuterated quinones p?benzoquinone?d 1 ?2 5?d 2 and ?2 6?d 2 have been prepared by a scheme involving (1) the formation of the dibenzyl ether of the appropriate bromohydroquinone (2) reaction of this bromoether with n?butyl lithium (3) introduction of deuterium by solvolysis of the lithium derivative in D2O (4) cleavage of the ether with sodium in liquid ammonia and (5) oxidation of the specifically deuterated hydroquinone by chromic oxide in buffered acetic acid.Infrared spectra have been obtained for the three compounds both in solution (4000–75 cm?1) and in vapor phase (4000–300 cm?1). The band contours of the vapor spectra are analyzed and discussed.

Herman Ziffer; Elliot Charney; Edwin D. Becker

1965-01-01T23:59:59.000Z

340

Production of 5-hydroxymethylfurfural from corn stalk catalyzed by corn stalk-derived carbonaceous solid acid catalyst  

Science Journals Connector (OSTI)

Abstract A carbonaceous solid acid was prepared by hydrothermal carbonization of corn stalk followed by sulfonation and was characterized by FT-IR, XRD, SEM and elemental analysis techniques. The as-prepared corn stalk-derived carbonaceous solid acid catalyst contained SO3H, COOH, and phenolic OH groups, and was used for the one-step conversion of intact corn stalk to 5-hydroxymethylfurfural (5-HMF) in the ionic liquid 1-butyl-3-methyl imidazolium chloride ([BMIM][Cl]), where a 5-HMF yield of 44.1% was achieved at 150 °C in 30 min reaction time. The catalytic system was applicable to initial corn stalk concentration of up to ca. 10 wt.% for the production of 5-HMF. The synthesized catalyst and the developed process of using corn stalk-derived carbon catalyst for corn stalk conversion provide a green and efficient strategy for crude biomass utilization.

Lulu Yan; Nian Liu; Yu Wang; Hiroshi Machida; Xinhua Qi

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Alkaline Ionic Liquids as Catalysts: A Novel and Green Process for the Dehydration of Carbohydrates To Give 5-Hydroxymethylfurfural  

Science Journals Connector (OSTI)

Alkaline Ionic Liquids as Catalysts: A Novel and Green Process for the Dehydration of Carbohydrates To Give 5-Hydroxymethylfurfural ... An efficient process for the conversion of carbohydrates into 5-hydroxymethylfurfural (5-HMF) catalyzed by the room temperature ionic liquid (IL) 1-butyl-3-methylimidazolium hydroxide ([BMIM]OH), using dimethyl sulfoxide (DMSO) as solvent, has been developed. ... (6, 7) The efficient transformation of hexoses such as fructose, glucose, galactose, and mannose or disaccharides such as sucrose and cellobiose into 5-hydroxymethylfurfural (5-HMF)—which is regarded as a versatile platform molecule and is used in the production of fine chemicals, pharmaceuticals, and polymers—is a key step in the use of carbohydrates to produce liquid fuels and value-added chemicals. ...

Yong-Shui Qu; Yan-Lei Song; Chong-Pin Huang; Jie Zhang; Biao-Hua Chen

2012-09-15T23:59:59.000Z

342

The dehydration of fructose to 5-hydroxymethylfurfural efficiently catalyzed by acidic ion-exchange resin in ionic liquid  

Science Journals Connector (OSTI)

The efficient dehydration of fructose to 5-hydroxymethylfurfural (HMF) was developed in ionic liquids (ILs) with acidic ion-exchange resins as catalyst. By screening different resins and \\{ILs\\} respectively, it was found that the structure of resins and \\{ILs\\} had a prominent effect on the dehydration of fructose. In 1-butyl-3-methylimidazolium chloride ([Bmim]Cl), D001-cc resin showed a high activity. And then the effects of reaction temperatures, dosages of D001-cc, and different initial fructose loadings on the dehydration of fructose were studied in detail. The system of D001-cc resin and [Bmim]Cl exhibited a constant activity at 75 °C for 20 min and a 86.2% yield of HMF was obtained after seven recycles. At 75 °C for 20 min, a 93.0% yield of HMF from the dehydration of fructose was obtained.

Yuan Li; Hui Liu; Changhua Song; Xiaomin Gu; Huaming Li; Wenshuai Zhu; Sheng Yin; Changri Han

2013-01-01T23:59:59.000Z

343

Sorption of vapours and liquids in PDMS: novel data and analysis with the GAB model of multilayer adsorption  

Science Journals Connector (OSTI)

Abstract Novel data on the sorption of vapours and liquids in cross-linked poly(dimethylsiloxane) (PDMS) elastomer at 25–40 °C are reported together with the accurate and original way of parameterising the sorption isotherms by using the GAB (Guggenheim, Anderson and De Boer) model of multilayer adsorption. The GAB model has been found to provide a comparable or better representation of sorption isotherms than the Flory–Huggins model with a concentration-dependent interaction parameter and better than the ENSIC (Engaged Species Induced Clustering) model. This comparison holds true for poor solvents of PDMS (water, methanol), mild solvents (acetone, methyl acetate, dimethyl carbonate) and good solvents (tert-butyl methyl ether, tert-amyl methyl ether, cyclopentyl methyl ether). The GAB model provided a noticeably good assessment of the sorption of liquids and highly saturated vapours, which makes the model applicable within the entire activity range.

Ond?ej Vopi?ka; Alena Randová; Karel Friess

2014-01-01T23:59:59.000Z

344

Regenerative mode photo electrochemical cells in molten salt electrolytes. 1st four monthly report (1/31/80)  

SciTech Connect (OSTI)

The most promising photoelectrodes selected for use in the butyl pyridinium chloride-aluminum chloride room temperature molten salt are n-type silicon, gallium arsenide and cadmium telluride. The solubilities of these semiconductors are low, and their conduction and valence band edges are favorably located. Cadmium selenide and sulfide showed significant solubility in the melt, and the conduction band edge for p-type cadmium telluride was too close to the aluminum deposition potential. Several reversible redox couples have been identified, which could potentially be used in a photoelectrochemical cell. These include W/sup 5 +//W/sup 6 +/ and Eu/sup 2 +//Eu/sup 3 +/ as well as ferrocene and its derivatives.

Not Available

1980-01-01T23:59:59.000Z

345

Production of methyl tert-alkyl ethers  

SciTech Connect (OSTI)

The transition to the use of unleaded gasolines has required the replacement of tetraethyl lead by oxygen-containing compounds such as methanol, ethanol, and ethers, which are termed {open_quotes}oxygenates{close_quotes} in the technical literature. These may be used in commercial gasolines in amounts of 10-15% by volume, equivalent to 2% oxygen by weight. When methyl tert-butyl ether (MTBE) is used, the oxygen content may amount to 2.7% by weight. This oxygenate gives a significant improvement of knock resistance of naphtha fractions, the greatest effects being observed for straight-run naphthas and reformer naphthas produced under normal conditions; the MTBE also improves the engine power and economy characteristics and lowers the carbon monoxide content in the exhaust by 15-30% and the hydrocarbon content by 7-8%. This paper describes methods for the production of MTBE and also methyl tert-alkyl ethers.

Trofimov, V.A.

1995-01-01T23:59:59.000Z

346

Publications  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

19 results: 19 results: BibTex RIS RTF XML Sort by: Author Title Type [ Year (Desc) ] Filters: Author is John B. Kerr [Clear All Filters] 2012 Zhu, Xiaobing, John B. Kerr, Qinggang He, Gi Suk Hwang, Zulima Martin, Kyle Clark, Adam Z. Weber, and Nana Zhao. "Bridge to Fuel Cell Molecular Catalysis: 3D Non-Platinum Group Metal Catalyst in MEAs." ECS Transactions 45, no. 2 (2012): 143-152. 2008 Shin, Joon Ho, Pratyay Basak, John B. Kerr, and Elton J. Cairns. "Rechargeable Li/LiFePO4 Cells Using N-Methyl-N-butyl pyrrolidinium Bis(trifluoromethane sulfonyl)imide-LiTFSI Electrolyte Incorporating Polymer Additives." Electrochimica Acta 54, no. 2 (2008): 410-414. Hardwick, Laurence J., Marek Marcinek, Leanne Beer, John B. Kerr, and Robert Kostecki. "An Investigation of the effect of graphite degradation on

347

Refinery & Blenders Net Input of Crude Oil  

U.S. Energy Information Administration (EIA) Indexed Site

Input Input Product: Total Crude Oil & Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane Normal Butane Isobutane Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Hydrogen Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other Renewable Fuels Other Hydrocarbons Unfinished Oils (net) Unfinished Oils, Naphthas and Lighter Unfinished Oils, Kerosene and Light Gas Oils Unfinished Oils, Heavy Gas Oils Residuum Motor Gasoline Blending Components (MGBC) (net) MGBC - Reformulated MGBC - Reformulated - RBOB MGBC - Reformulated, RBOB for Blending w/ Alcohol MGBC - Reformulated, RBOB for Blending w/ Ether MGBC - Reformulated, GTAB MGBC - Conventional MGBC - CBOB MGBC - Conventional, GTAB MGBC - Other Conventional Aviation Gasoline Blending Components (net) Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day

348

Chemical factors affecting insolubles formation in shale derived diesel fuel  

SciTech Connect (OSTI)

Detrimental changes in fuel properties with time have been a continuing problem in the use of middle distillate fuels. Instability of diesel fuels is usually defined by the formation of insoluble sediments and gums. Gravimetric stability tests have been conducted at 43/sup 0/ and 80/sup 0/C, respectively, using three model nitrogen heterocycles, 2-methylpyridine, 2,6-di methyl quinoline, and dodecahydrocarbazole, as dopants in an otherwise stable shale diesel fuel. Potential interactive effects have been defined for these three model nitrogen heterocycles in the stable fuel in the presence of a second model dopant, t-butyl hydroperoxide. 2-Methyl pyridine and 2,6-dimethyl quinoline were inactive and only 2-methyl pyridine showed slight positive interactive effects. Dodecahydrocarbazole formed large amounts of insolubles by itself and exhibited positive interactive effects.

Beal, E.J.; Mushrush, G.W.; Cooney, J.V. (Fuels Section, Code 6180 Naval Research Lab., Washington, DC (US)); Watkins, J.M. (Geo-Centers, Ft. Washington, MD (US))

1989-01-01T23:59:59.000Z

349

Intermolecular vibrations and fast relaxations in supercooled ionic liquids  

Science Journals Connector (OSTI)

Short-time dynamics of ionic liquids has been investigated by low-frequency Raman spectroscopy (4 < ? < 100 cm?1) within the supercooled liquid range. Raman spectra are reported for ionic liquids with the same anion bis(trifluoromethylsulfonyl)imide and different cations: 1-butyl-3-methylimidazolium 1-hexyl-3-methylimidazolium 1-butyl-1-methylpiperidinium trimethylbutylammonium and tributylmethylammonium. It is shown that low-frequency Raman spectroscopy provides similar results as optical Kerr effect (OKE) spectroscopy which has been used to study intermolecular vibrations in ionic liquids. The comparison of ionic liquids containing aromatic and non-aromatic cations identifies the characteristic feature in Raman spectra usually assigned to librational motion of the imidazolium ring. The strength of the fast relaxations (quasi-elastic scattering QES) and the intermolecular vibrational contribution (boson peak) of ionic liquids with non-aromatic cations are significantly lower than imidazolium ionic liquids. A correlation length assigned to the boson peak vibrations was estimated from the frequency of the maximum of the boson peak and experimental data of sound velocity. The correlation length related to the boson peak (?19 Å) does not change with the length of the alkyl chain in imidazolium cations in contrast to the position of the first-sharp diffraction peak observed in neutron and X-ray scattering measurements of ionic liquids. The rate of change of the QES intensity in the supercooled liquid range is compared with data of excess entropy free volume and mean-squared displacement recently reported for ionic liquids. The temperature dependence of the QES intensity in ionic liquids illustrates relationships between short-time dynamics and long-time structural relaxation that have been proposed for glass-forming liquids.

Mauro C. C. Ribeiro

2011-01-01T23:59:59.000Z

350

Thermal decomposition of nitrated tributyl phosphate  

SciTech Connect (OSTI)

Extended contact between heated mixtures of tri-n-butyl phosphate (TBP) and aqueous solutions of nitric acid and/or heavy metal nitrate salts at elevated temperatures can lead to exothermic reactions of explosive violence. Most solvent extraction operations are conducted at ambient conditions without heating TBP and have been performed safely for decades, but several explosions involving TBP have occurred in the US, Canada, and the former Soviet Union. This investigation was undertaken to characterize the products of thermal decomposition of both single- and two-phase mixtures of TBP, nitric acid, and water under a variety of conditions. The data indicate that the extent of reaction and the rate of gaseous product formation are affected by the presence of Zr{sup 4+}, distillation compared with reflux conditions, temperature, water/HNO{sub 3} and HNO{sub 3}/TBP ratios, and whether the decomposition occurs under constant pressure or constant volume conditions. Higher reaction temperatures accelerate the rate of decomposition, but the extent of decomposition, as measured by the quantity of gaseous products, was greater at lower temperatures when the decomposition was performed under distillation conditions. Higher gas production occurs under reflux conditions, lower H{sub 2}O/HNO{sub 3} ratios, and when a separate water-HNO{sub 3} phase is initially present. The major gaseous products include N{sub 2}, CO, CO{sub 2}, NO, and N{sub 2}O. Measurable amounts of NO{sub 2} were not present in the final product mixture, although an orange color suggesting the presence of NO{sub 2} was observed in the early stages of decomposition. The major liquid products were dibutyl phosphoric acid, butyl nitrate, and water. Small amounts of C{sub 1}-C{sub 4} carboxylic acids were also present. Because of the small sample sizes that were employed and the isothermal conditions of the decomposition, runaway reactions were not observed. Some possible reaction pathways are considered.

Hou, Y.; Barefield, E.K.; Tedder, D.W.; Abdel-Khalik, S.I. [Georgia Inst. of Technology, Atlanta, GA (United States)

1996-03-01T23:59:59.000Z

351

Interactions of Jet Fuels with Nitrile O-Rings: Petroleum-Derived versus Synthetic Fuels  

SciTech Connect (OSTI)

A transition from petroleum-derived jet fuels to blends with Fischer-Tropsch (F-T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber o-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile o-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific compounds or classes of compounds involved in the partitioning were identified and a semiquantitative comparison of relative partitioning of the compounds of interest was made. The results provide another step forward in improving the confidence level of using additized, fuIly synthetic jet fuel in the place of petroleum-derived fueL

Gormley, R.J.; Link, D.D.; Baltrus, J.P.; Zandhuis, P.H.

2008-01-01T23:59:59.000Z

352

Interactions of Jet Fuels with Nitrile O-Rings: Petroleum-Derived versus Synthetic Fuels  

SciTech Connect (OSTI)

A transition from petroleum-derived jet fuels to blends with Fischer-Tropsch (F-T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber a-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile a-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific compounds or classes of compounds involved in the partitioning were identified and a semiquantitative comparison of relative partitioning of the compounds of interest was made. The results provide another step forward in improving the confidence level of using additized, fully synthetic jet fuel in the place of petroleum-derived fuel.

Gormley, R.J.; Link, D.D.; Baltrus, J.P.; Zandhuis, P.H.

2009-01-01T23:59:59.000Z

353

Isolation and characterization of mutant strains of Escherichia coli altered in H/sub 2/ metabolism  

SciTech Connect (OSTI)

A positive selection procedure is described for the isolation of hydrogenase-defective mutant strains of Escherichia coli. Mutant strains isolated by this procedure can be divided into two major classes. Class II mutants produced hydrogenase activity (determined by using a tritium-exchange assay) and formate hydrogenlyase activity but lacked the ability to reduce benzyl viologen or fumarate with H/sub 2/ as the electron donor. Class I mutants failed to produce active hydrogenase and hydrogenase-dependent activities. All the mutant strains produced detectable levels of formate dehydrogenase-1 and -2 and fumarate reductase. The mutation in class I mutants mapped near 65 min of the E. coli chromosome, whereas the mutation in class II mutants mapped between srl and cys operons (58 and 59 min, respectively) in the genome. The class II Hyd mutants can be further subdivided into two groups (hydA and hydB) based on the cotransduction characteristics with cys and srl. These results indicate that there are two hyd operons and one hup operon in the E. coli chromosome. The two hyd operons are needed for the production of active hydrogenase, and all three are essential for hydrogen-dependent growth of the cell.

Lee, J.H.; Patel, P.; Sankar, P.; Shanmugam, K.T.

1985-04-01T23:59:59.000Z

354

Electrophilic Metal Alkyl Chemistry in New Ligand Environments  

SciTech Connect (OSTI)

The goals of this project were to design new electrophilic metal alkyl complexes and to exploit these systems in fundamental studies of olefin polymerization and other important and new catalytic reactions. A key target reaction is insertion copolymerization of olefins and polar CH2=CHX vinyl monomers such as vinyl halides and vinyl ethers. During the period covered by this report we (i) investigated the properties of ortho-alkoxy-arylphosphine ligands in Ni-based olefin polymerization catalysts, (ii) studied the synthesis of double-end-capped polyethylene using group 4 metal catalysts that contain tris-pyrazolylborate ligands, (iii) explored the ethylene insertion reactivity of group 4 metal tris-pyrazolyl-borate complexes, (iv) showed that (?-diimine)PdMe{sup +} species undergo multiple insertion of silyl vinyl ethers, (v) synthesized and explored the reactivity of base-free Ni benzyl complexes that contain ortho-phosphino-arene sulfonate ligands, (vi) established the mechanism of the reaction of vinyl chloride with (?-diimine)PdMe{sup +} catalysts, (vii) explored the role of cationic polymerization and insertion chemistry in the reactions of vinyl ethers with (?-diimine)PdMe{sup +} species, (viii) discovered a new class of self-assembled tetranuclear Pd catalysts that produce high molecular weight linear polyethylene and copolymerize ethylene and vinyl fluoride, and (ix) developed model systems that enabled investigation of cis-trans isomerization of {phosphine-sulfonate}Pd(II) complexes.

Jordan, Richard F. [University of Chicago] University of Chicago

2013-06-30T23:59:59.000Z

355

The Influence of MSI (Metal-Support Interactions) and the Solvent in Liquid-Phase Reactions  

SciTech Connect (OSTI)

Results were repeatedly obtained that were consistent with a hypothesis proposed at the beginning of this program, i.e., due to Metal-Support Interactions (MSI), unique active sites can be created in the metal-support interfacial region to enhance activity and improve selectivity in certain types of reactions, especially those involving the hydrogenation of carbonyl and unsaturated C=C bonds. Higher turnover frequencies (TOF-molecule/s/site) and increased selectivity for C=O bond versus C=C bond hydrogenation was established in the hydrogenation reactions of: acetone, crotonaldehyde, acetophenone, phenylethanol, acetylcyclohexane, benzaldehyde, benzyl alcohol, phenylacetaldehyde and citral over Pt/TiO{sub 2} MSI catalysts. Higher rates of hydrogenation benzene, toluene and xylene could be obtained over certain supported Pt and Pd catalysts. Au/TiO{sub 2} catalysts were developed that were active for CO hydrogenation at subambient temperatures. The influence of support and metal crystallite size were established for the adsorption of H{sub 2}, CO and O{sub 2} on families of Pt and Pd catalysts.

Vannice, M. A.

2003-05-30T23:59:59.000Z

356

An Analog of BIX-01294 Selectively Inhibits a Family of Histone H3 Lysine 9 Jumonji Demethylases  

SciTech Connect (OSTI)

BIX-01294 and its analogs were originally identified and subsequently designed as potent inhibitors against histone H3 lysine 9 (H3K9) methyltransferases G9a and G9a-like protein. Here, we show that BIX-01294 and its analog E67 can also inhibit H3K9 Jumonji demethylase KIAA1718 with half-maximal inhibitory concentrations in low micromolar range. Crystallographic analysis of KIAA1718 Jumonji domain in complex with E67 indicated that the benzylated six-membered piperidine ring was disordered and exposed to solvent. Removing the moiety (generating compound E67-2) has no effect on the potency against KIAA1718 but, unexpectedly, lost inhibition against G9a-like protein by a factor of 1500. Furthermore, E67 and E67-2 have no effect on the activity against histone H3 lysine 4 (H3K4) demethylase JARID1C. Thus, our study provides a new avenue for designing and improving the potency and selectivity of inhibitors against H3K9 Jumonji demethylases over H3K9 methyltransferases and H3K4 demethylases.

Upadhyay, Anup K.; Rotili, Dante; Han, Ji Woong; Hu, Ruogu; Chang, Yanqi; Labella, Donatella; Zhang, Xing; Yoon, Young-sup; Mai, Antonello; Cheng, Xiaodong (Emory-MED); (Universita di Roma)

2012-03-26T23:59:59.000Z

357

Chemically grafted polymeric filters for chemical sensors: Hyperbranched poly(acrylic acid) films incorporating {Beta}-cyclodextrin receptors and amine-functionalized filter layers  

SciTech Connect (OSTI)

The authors report a new molecular-filter approach for enhancing the selectivity of chemical sensors. Specifically, they describe electrochemical sensors prepared from Au electrodes coated with {beta}-cyclodextrin-functionalized, hyperbranched poly(acrylic acid)(PAA) films capped with a chemically grafted, ultrathin polyamine layer. The hyperbranched PAA film is a highly functionalized framework for covalently binding the {beta}-cyclodextrin molecular receptors. The thin, grafted polyamine overlayer acts as a pH-sensitive molecular filter that selectively passes suitably charged analytes. Poly(amidoamine) dendrimers or poly-D-lysine is used as 10--15-nm-thick filter layers. The results show that at low pH, when the polyamines are fully protonated, positively charged redox probe molecules, such as benzyl viologen (BV), do not permeate the filter layer. However, at high pH, when the filter layer is uncharged, BV penetrates the filter layer and is reduced at the electrode. The opposite pH dependence is observed for negatively charged redox molecules such as anthraquinone-2-sulfonate (AQS). Both BV and AQS specifically interact with the {beta}-cyclodextrin receptors underlying the polyamine filter layers.

Dermody, D.L.; Peez, R.F.; Bergbreiter, D.E.; Crooks, R.M. [Texas A and M Univ., College Station, TX (United States). Dept. of Chemistry] [Texas A and M Univ., College Station, TX (United States). Dept. of Chemistry

1999-02-02T23:59:59.000Z

358

Three-stage autoignition of gasoline in an HCCI engine: An experimental and chemical kinetic modeling investigation  

SciTech Connect (OSTI)

The alternative HCCI combustion mode presents a possible means for decreasing the pollution with respect to conventional gasoline or diesel engines, while maintaining the efficiency of a diesel engine or even increasing it. This paper investigates the possibility of using gasoline in an HCCI engine and analyzes the autoignition of gasoline in such an engine. The compression ratio that has been used is 13.5, keeping the inlet temperature at 70 C, varying the equivalence ratio from 0.3 to 0.54, and the EGR (represented by N{sub 2}) ratio from 0 to 37 vol%. For comparison, a PRF95 and a surrogate containing 11 vol% n-heptane, 59 vol% iso-octane, and 30 vol% toluene are used. A previously validated kinetic surrogate mechanism is used to analyze the experiments and to yield possible explanations to kinetic phenomena. From this work, it seems quite possible to use the high octane-rated gasoline for autoignition purposes, even under lean inlet conditions. Furthermore, it appeared that gasoline and its surrogate, unlike PRF95, show a three-stage autoignition. Since the PRF95 does not contain toluene, it is suggested by the kinetic mechanism that the benzyl radical, issued from toluene, causes this so-defined ''obstructed preignition'' and delaying thereby the final ignition for gasoline and its surrogate. The results of the kinetic mechanism supporting this explanation are shown in this paper. (author)

Machrafi, Hatim; Cavadias, Simeon [UPMC Universite Paris 06, LGPPTS, Ecole Nationale Superieure de Chimie de Paris (France); UPMC Universite Paris 06, Institut Jean Le Rond D'Alembert (France)

2008-12-15T23:59:59.000Z

359

Synthesis of a spheroidal bis-porphyrin: a ligand designed to accept two catalytic metal ions in an isolated environment  

Science Journals Connector (OSTI)

A spheroidal bis-porphyrin (dual capped quadruply cofacial dimeric tetraphenylporphyrin, 1), designed to be employed as a ligand for a class of catalysts that mimic the combined enzyme activities of superoxide dismutase and catalase, has been synthesized in 9 steps. C-Alkylation of 2-(2?-lithio-5?-tert-butyldimethylsiloxy-methyl)phenyl-1,3-dioxolane (D) with tetra-bromide 6, prepared from bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride by 5 steps, afforded the key intermediate, tetra-alkylated compound 3a, in 68% yield. An alternative route to 3, O-alkylations of tetrol 4 with aliphatic halides 5, was also tested. Conversion of the four protected hydroxy groups to bromo substituents is crucial in the preparation of porphyrin 2. Therefore, tetra-benzyl bromide 24b was prepared and then treated with pyrrole in the presence of boron trifluoride etherate, followed by DDQ oxidation to obtain the capped porphyrin 2. The coupling of two molecules of 2 to form a spheroidal porphyrin 1 was carried out in dilute DMF solution, using 0.8 equivalent of 2-trimethylsilylethane sulfonamide (H2NSO2CH2CH2Si(CH3)3, SES-NH2) and cesium carbonate. The structure of 1 was confirmed by 1H NMR, UV/VIS, FABMS and laser desorption high resolution MS. The two isomers of 1, eclipsed and gauche, formed due to two possible modes of approach of the units of 2, were observed in approximately 1 : 1 ratio by both 1H NMR and HPLC techniques.

Zhang Hong-Yue; Yu Jian-Qiu; Thomas C. Bruice

1994-01-01T23:59:59.000Z

360

Radioiodinated fatty acid analogs for myocardial imaging  

SciTech Connect (OSTI)

Fatty acids are the preferred substrate for the normoxic heart. About sixty percent of the energy required by the myocardium is provided by fatty acid [beta]-oxidation. Many scientists have focused on the alterations in fatty acid metabolism in the ischemic heart for the development of radiolabelled fatty acids for functional imaging of the heart. Three main categories of compounds were synthesized: tetrazoles (1 and 2), glycidic and [alpha]-methylene acids (3-5), and analogs of oleic acid (6,7 and 7A). The tetrazole group has a similar pKa and size to that of a carboxyl group; however, such fatty acid analogs cannot undergo normal fatty acid metabolism. Glycidic and [alpha]-methylene analogs are potential irreversible inhibitors of fatty acid metabolism. Oleic acid analogs were investigated to assess the affect of stereochemical consequences on biodistribution. The key intermediates in the synthesis of the target compounds were [omega]-nitrophenyl alkylcarboxylic acids and alcohols, which were made using a variety of cross-coupling reactions. The Wittig reaction, which was used in the synthesis of tetrazole 1 and glycidic acid 3, gave low yields of the cross-coupled products. The remaining target compounds were synthesized by condensation of appropriate RCu (CN) ZnI and substituted benzyl bromides or by Pd[sup II] catalyzed cross-coupling of substituted arylhalides with suitable alkynes. The latter two reactions produced much higher yields of the desired products. All of the target compounds were radiolabeled with [sup 125]I by various Cu(I) catalyzed radioiodine exchange procedures and were then subjected to tissue biodistribution (TD) studies in rats. Except for the 15-(4-iodophenyl)-2-methylene-pentadecanoic acid (5), all of the fatty acid analogs failed to surpass clinically-used 15-(4-iodophenyl)pentadecanoic acid (IPPA) in their ability to be taken up and retained by the rat myocardium.

Ruyan, M.K.

1993-01-01T23:59:59.000Z

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361

Trigger factor assisted folding of the recombinant epoxide hydrolases identified from C. pelagibacter and S. nassauensis  

Science Journals Connector (OSTI)

Abstract Epoxide hydrolases (EHs), are enantioselective enzymes as they catalyze the kinetic resolution of racemic epoxides into the corresponding enantiopure vicinal diols, which are useful precursors in the synthesis of chiral pharmaceutical compounds. Here, we have identified and cloned two putative epoxide hydrolase genes (cpeh and sneh) from marine bacteria, Candidatus pelagibacter ubique and terrestrial bacteria, Stackebrandtia nassauensis, respectively and overexpressed them in pET28a vector in Escherichia coli BL21(DE3). The CPEH protein (42 kDa) was found to be overexpressed as inactive inclusion bodies while SNEH protein (40 kDa) was found to form soluble aggregates. In this study, the recombinant CPEH was successfully transformed from insoluble aggregates to the soluble and functionally active form, using pCold TF vector, though with low EH activity. To prevent the soluble aggregate formation of SNEH, it was co-expressed with GroEL/ES chaperone and was also fused with trigger factor (TF) chaperone at its N-terminus. The TF chaperone-assisted correct folding of SNEH led to a purified active EH with a specific activity of 3.85 ?mol/min/mg. The pure enzyme was further used to biocatalyze the hydrolysis of 10 mM benzyl glycidyl ether (BGE) and ?-methyl styrene oxide (MSO) with an enantiomeric excess of the product (eep) of 86% and 73% in 30 and 15 min, respectively. In conclusion, this is the first report about the heterologous expression of epoxide hydrolases using TF as a molecular chaperone in pCold TF expression vector, resulting in remarkable increase in the solubility and activity of the otherwise improperly folded recombinant epoxide hydrolases.

Priya Saini; Shadil Ibrahim Wani; Ranjai Kumar; Ravneet Chhabra; Swapandeep Singh Chimni; Dipti Sareen

2014-01-01T23:59:59.000Z

362

Metal carbonyl-hydrosilane reactions and hydrosilation catalysis. Final report for period May 1, 1995 - August 14, 1999  

SciTech Connect (OSTI)

Manganese carbonyl complexes serve as hydrosilation precatalysts for selectively transforming a carbonyl group into a doxy methylene or a fully reduced methylene group. Substrates of interest include (1) aldehydes, ketones, carboxylic acids, silyl esters, and esters, and (2) their organometallic acyl counterparts. Two types of manganese precatalysts have been reported: (a) alkyl and acyl complexes (L)(CO){sub 4}MnR [L = CO, PPh{sub 3}; R = COCH{sub 3}, COPh, CH{sub 3}] and (b) halides (CO){sub 5}MnX and [(CO){sub 4}MnX]{sub 2} (X = Br, I). The former promote hydrosilation and deoxygenation catalysis; the latter promote dehydrogenative silation of alcohols and carboxylic acids as well as hydrosilation and deoxygenation of some metallocarboxylic acid derivatives. In every case studied, these Mn precatalysts are far more reactive or selective than traditional Rh(l) precatalysts. The reaction chemistry of the above and other Mn alkyl complexes with hydrosilanes was studied in order to probe catalysis mechanism(s). Thus, Mn(CO){sub 5} methyl, benzyl, acetyl, and benzoyl (4 p-substituents) complexes reacted with hydrosilines by four different mechanisms, which were established. A noteworthy development was that the methyl and benzoyl complexes gave moderate yields of a new ({eta}{sup 2}-Si-H) silane adduct (CO){sub 4}Mn(SiMe{sub 2}Ph)(H-SiMe{sub 2}Ph), which is stable in the presence of excess silane. This silane adduct promotes all three catalytic reactions; its extraordinary activity and potential selectivity are under study.

Cutler, Alan R.

2001-04-14T23:59:59.000Z

363

Polymerization of trialkoxysilanes. Effect of the organic substituent on the formation of gels  

SciTech Connect (OSTI)

Hydrolysis and condensation of trialkoxysilanes, R-Si(OR{prime}){sub 3}, generally leads to the formation of silsesquioxane oligomers and polymers. These polymers are composed of a monomer repeat unit, [R-SiO{sub 1.5}]{sub n}, with a single silicon atom attached to other repeat units in the polymer through one to three siloxane bonds. The remaining substituent is an organic group attached to the silicon through a silicon-carbon single bond. Silsesquioxanes have been the subject of intensive study in the past and are becoming important again as a vehicle for introducing organic functionalities into hybrid organic-inorganic materials through sol-gel processing. Despite all of this interest, there has not been a systematic study of the ability of trialkoxysilanes to form gels through the sol-gel process. In fact, it has been noted that silsesquioxanes are generally isolated as soluble resins rather than the highly crosslinked network polymers (gels) one would expect from a tri-functional monomer. In this study, the authors have examined the sol-gel chemistry of a variety of trialkoxysilanes with different organic substituents (R = H, Me, Et, n-Pr, i-Pr, n-Bu, i-Bu, t-Bu, n-octadecyl, n-dodecyl, cyclohexyl, vinyl, phenyl, benzyl, phenethyl), with methoxide or ethoxide substituents on silicon, at varying monomer concentrations ranging up to neat monomer, and with different catalysts (HCl, NaOH, formic acid, fluoride). Gels were prepared from tetramethoxysilane and tetraethoxysilane at identical concentrations for purposes of comparison.

Loy, D.A.; Baugher, B.M.; Schneider, D.A.

1998-09-01T23:59:59.000Z

364

Molecular level control of nanoscale composition and morphology: Toward photocatalytic nanocomposites for solar-to-chemical energy conversion of biomass  

SciTech Connect (OSTI)

Understanding the factors influencing nanocrystal formation is a challenge yet to be realized. In comparison to the large number of studies on nanocrystal synthesis and their applications, the number of studies on the effect of the precursor chemistry on nanocrystal composition and shape remains low. Although photochemical fabrication of metalsemiconductor nano-heterostructures is reported in literature, control over the free particle formation and the site of metal deposition have not been achieved. Moreover, utilization of metal- semiconductor nano-heterostructures in photocatalytic reactions other than water splitting is hardly explored. In this thesis, we studied the effect of chalcogenide precursor reactivity on the composition, morphology and the axial anisotropy of cadmiumchalcogenide nanocrystals. We also investigated the influence of the irradiation wavelength in synthesizing metal-semiconductor nano-heterostructures. Finally, we showed that metal semiconductor nano-heterostructures can be used as a photocatalyst for alcohol dehydrogenation reactions. We explored the pathways for the formation of Pt and Pd nanoparticles on CdS and CdS{sub 0.4}Se{sub 0.6} nanorods. This study revealed that the wavelength of irradiation is critical to control free-standing vs. bound metal (Pt and Pd) nanoparticles to semiconductor. Additionally, we observed that metal photodeposition occurs on specific segments of axially anisotropic, compositionally graded CdS0.4Se0.6 nanorods due to the band-gap differential between their nano-domains. We used semiconductor-metal heterostructures for sunlightdriven dehydrogenation and hydrogenolysis of benzyl alcohol. Heterostructure composition dictates activity (turnovers) and product distribution. A few metal (Pt, Pd) islands on the semiconductor surface significantly enhance activity and selectivity and also greatly stabilize the semiconductor against photoinduced etching and degradation.

Ruberu, Thanthrige P. [Ames Laboratory] [Ames Laboratory

2013-05-15T23:59:59.000Z

365

Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics  

SciTech Connect (OSTI)

Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

2009-12-23T23:59:59.000Z

366

Annual Energy Outlook 2000 - Legislation & Regulations  

Gasoline and Diesel Fuel Update (EIA)

leg_reg.gif (4810 bytes) Climate Change Action Plan Comprehensive Electricity Competition Act Tier 2 Vehicle Emissions and Gasoline Sulfur Standards California Ban of Methyl Tertiary Butyl Ether Low-Emission Vehicle Program Introduction Because analyses by the Energy Information Administration (EIA) are required to be policy-neutral, the projections in this Annual Energy Outlook 2000 (AEO2000) are based on Federal, State, and local laws and regulations in effect on July 1, 1999. The potential impacts of pending or proposed legislation, regulations, and standards and sections of existing legislation for which funds have not been appropriated are not reflected in the projections. Federal legislation incorporated in the projections includes the Omnibus Budget Reconciliation Act of 1993, which adds 4.3 cents per gallon to the Federal tax on highway fuels [1]; the National Appliance Energy Conservation Act of 1987; the Clean Air Act Amendments of 1990 (CAAA90); the Energy Policy Act of 1992 (EPACT); the Outer Continental Shelf Deep Water Royalty Relief Act of 1995; the Tax Payer Relief Act of 1997; and the Federal Highway Bill of 1998, which includes an extension of the ethanol tax credit. AEO2000 assumes the continuation of the ethanol tax credit through 2020.

367

The National Energy Modeling System: An Overview 2000 - International  

Gasoline and Diesel Fuel Update (EIA)

international energy module (IEM) consists of four submodules (Figure 4) that perform the following functions: international energy module (IEM) consists of four submodules (Figure 4) that perform the following functions: world oil market submodule—calculates the average annual world oil price (imported refiner acquisition cost) that is consistent with worldwide petroleum demand and supply availability crude oil supply submodule—provides im- ported crude oil supply curves for five crude oil quality classes petroleum products supply submodule—pro- vides imported refined product supply curves for eleven types of refined products oxygenates supply submodule—provides imported oxygenates supply curves for methyl tertiary butyl ether (MTBE) and methanol. Figure 4. International Energy Module Structure The world oil price that is generated by the world oil market submodule is used by all the modules of NEMS as well as the other submodules of IEM. The import supply curves for crude oils, refined products, and oxygenates are used by the petroleum market module.

368

Word Pro - Untitled1  

U.S. Energy Information Administration (EIA) Indexed Site

1 1 Table 10.5 Estimated Number of Alternative-Fueled Vehicles in Use and Fuel Consumption, 1992-2010 Year Alternative and Replacement Fuels 1 Liquefied Petroleum Gases Compressed Natural Gas Liquefied Natural Gas Methanol, 85 Percent (M85) 3 Methanol, Neat (M100) 4 Ethanol, 85 Percent (E85) 3,5 Ethanol, 95 Percent (E95) 3 Elec- tricity 6 Hydro- gen Other Fuels 7 Subtotal Oxygenates 2 Bio- diesel 10 Total Methyl Tertiary Butyl Ether 8 Ethanol in Gasohol 9 Total Alternative-Fueled Vehicles in Use 11 (number) 1992 NA 23,191 90 4,850 404 172 38 1,607 NA NA NA NA NA NA NA NA 1993 NA 32,714 299 10,263 414 441 27 1,690 NA NA NA NA NA NA NA NA 1994 NA 41,227 484 15,484 415 605 33 2,224 NA NA NA NA NA NA NA NA 1995 172,806 50,218 603 18,319 386 1,527

369

Refinery Stocks of Crude Oil and Petroleum Products  

Gasoline and Diesel Fuel Update (EIA)

Product: Crude Oil and Petroleum Products Crude Oil Petroleum Products Pentanes Plus Liquefied Petroleum Gases Ethane/Ethylene Propane/Propylene Normal Butane/Butylene Isobutane/Isobutylene Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) All Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Renewable Diesel Fuel Other Renewable Fuels Other Hydrocarbons Unfinished Oils Naphthas and Lighter Kerosene and Light Gas Oils Heavy Gas Oils Residuum Motor Gasoline Blending Components MGBC - Reformulated MGBC - Reformulated - RBOB MGBC - RBOB for Blending with Alcohol* MGBC - RBOB for Blending with Ether* MGBC - Conventional MGBC - Conventional CBOB MGBC - Conventional GTAB MGBC - Conventional Other Aviation Gasoline Blending Components Finished Motor Gasoline Reformulated Reformulated Blended with Fuel Ethanol Reformulated, Other Conventional Gasoline Conventional Gasoline Blended with Fuel Ethanol Conventional Gasoline Blended with Fuel Ethanol, Ed55 and Lower Conventional Other Gasoline Finished Aviation Gasoline Kerosene-Type Jet Fuel Kerosene Distillate Fuel Oil Distillate Fuel Oil, 15 ppm and Under Distillate Fuel Oil, Greater than 15 ppm to 500 ppm Distillate Fuel Oil, Greater than 500 ppm Residual Fuel Oil Less than 0.31 Percent Sulfur 0.31 to 1.00 Percent Sulfur Greater than 1.00 Percent Sulfur Petrochemical Feedstocks Naphtha for Petrochemical Feedstock Use Other Oils for Petrochemical Feedstock Use Special Naphthas Lubricants Waxes Petroleum Coke Marketable Coke Asphalt and Road Oil Miscellaneous Products Period-Units: Monthly-Thousand Barrels Annual-Thousand Barrels

370

U.S. Blender Net Input  

U.S. Energy Information Administration (EIA) Indexed Site

2007 2008 2009 2010 2011 2012 View 2007 2008 2009 2010 2011 2012 View History Total Input 1,184,435 1,522,193 1,850,204 2,166,784 2,331,109 2,399,318 2005-2012 Natural Gas Plant Liquids and Liquefied Refinery Gases 3,445 5,686 6,538 7,810 10,663 2008-2012 Pentanes Plus 2,012 474 1,808 1,989 2,326 4,164 2005-2012 Liquid Petroleum Gases 2,971 3,878 4,549 5,484 6,499 2008-2012 Normal Butane 2,943 2,971 3,878 4,549 5,484 6,499 2005-2012 Isobutane 2005-2006 Other Liquids 1,518,748 1,844,518 2,160,246 2,323,299 2,388,655 2008-2012 Oxygenates/Renewables 234,047 274,974 286,837 295,004 2009-2012 Methyl Tertiary Butyl Ether (MTBE) 2005-2006 Renewable Fuels (incl. Fuel Ethanol) 234,047 274,974 286,837 295,004 2009-2012 Fuel Ethanol 131,810 182,772 232,677 273,107 281,507 287,433 2005-2012

371

What's New in the Computational Biology Section  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

What's New? What's New? Kane, SR, Chakicherla, AY, Chain, PSG, Schmidt, R, Shin, MW, Legler, TC, Scow, KM, Larimer, FW, Lucas, SM, Richardson, PM, and Hristova, KR. (2007). Whole-Genome Analysis of the Methyl tert-Butyl Ether-Degrading Beta-Proteobacterium Methylibium petroleiphilum PM1. J. Bacteriol. 189(5): 1931-1945. PubMed Scott KM, Sievert SM, Abril FN, Ball LA, Barrett CJ, Blake RA, Boller AJ, Chain PS, Clark JA, Davis CR, Detter C, Do KF, Dobrinski KP, Faza BI, Fitzpatrick KA, Freyermuth SK, Harmer TL, Hauser LJ, Hugler M, Kerfeld CA, Klotz MG, Kong WW, Land M, Lapidus A, Larimer FW, Longo DL, Lucas S, Malfatti SA, Massey SE, Martin DD, McCuddin Z, Meyer F, Moore JL, Ocampo LH, Paul JH, Paulsen IT, Reep DK, Ren Q, Ross RL, Sato PY, Thomas P, Tinkham LE, Zeruth GT. (2006). The Genome of Deep-Sea Vent Chemolithoautotroph Thiomicrospira crunogena XCL-2. PLoS Biol. 4(12): e383. PubMed

372

U.S. Blender Net Input  

U.S. Energy Information Administration (EIA) Indexed Site

Apr-13 May-13 Jun-13 Jul-13 Aug-13 Sep-13 View Apr-13 May-13 Jun-13 Jul-13 Aug-13 Sep-13 View History Total Input 206,541 217,867 212,114 216,075 219,783 208,203 2005-2013 Natural Gas Plant Liquids and Liquefied Refinery Gases 891 352 376 196 383 1,397 2008-2013 Pentanes Plus 261 301 313 67 287 393 2005-2013 Liquid Petroleum Gases 630 51 63 129 96 1,004 2008-2013 Normal Butane 630 51 63 129 96 1,004 2005-2013 Isobutane 2005-2006 Other Liquids 205,650 217,515 211,738 215,879 219,400 206,806 2008-2013 Oxygenates/Renewables 25,156 26,576 26,253 26,905 27,788 25,795 2009-2013 Methyl Tertiary Butyl Ether (MTBE) 2005-2006 Renewable Fuels (incl. Fuel Ethanol) 25,156 26,576 26,253 26,905 27,788 25,795 2009-2013 Fuel Ethanol 24,163 25,526 24,804 25,491 25,970 24,116 2005-2013

373

Study downplays health concerns  

SciTech Connect (OSTI)

A government-funded study has concluded that reformulated gasoline containing methyl tert-butyl ether (MTBE) does not increase short-term health risks when compared with gasoline that does not contain the additive. The study, performed by the Health Effects Institute (Cambridge, MA), compared data from dozens of animal, human, and epidemiological studies of health effects linked to oxygenates, including MTBE and ethanol, but did not find enough evidence to warrant an immediate reduction in oxygenate use. However, the study did recommend that additional research be conducted on possible health consequences associated with the gasoline additives, including neurotoxic effects, if oxygenates continue to be used long term. Oxygenates have been used in gasoline since 1992, when EPA mandated that several municipalities use MTBE or other oxygenates in reformulated gasoline to reduce carbon monoxide emissions and meet Clean Air Act requirements. Shortly after the program began, residents in areas where the oxygenates were used complained of nausea, headaches, and dizziness. The institute says the study--funded by EPA and the Centers for Disease Control--will be used for a broader review of gasoline oxygenates by the White House Office of Science and Technology Policy.

Stringer, J.

1996-03-13T23:59:59.000Z

374

Biosynthesis and urinary excretion of methyl sulfonium derivatives of the sulfur mustard analog, 2-chloroethyl ethyl sulfide, and other thioethers  

SciTech Connect (OSTI)

Thioether methyltransferase was previously shown to catalyze the S-adenosylmethionine-dependent methylation of diemthyl selenide, dimethyl telluride, and various thioethers to produce the corresponding methyl onium ions. In this paper we show that the following thioethers are also substrates for this enzyme in vitro: 2-hydroxyethyl ethyl sulfide, 2-chloroethyl ethyl sulfide, thiodiglycol, t-butyl sulfide, and isopropyl sulfide. To demonstrate thioether methylation in vivo, mice were injected with (methyl-{sup 3}H)methionine plus different thioethers, and extracts of lungs, livers, kidneys, and urine were analyzed by high-performance liquid chromatography for the presence of ({sup 3}H)methyl sulfonium ions. The following thioethers were tested, and all were found to be methylated in vivo: dimethyl sulfide, diethyl sulfide, methyl n-propyl sulfide, tetrahydrothiophene, 2-(methylthio)ethylamine, 2-hydroxyethyl ethyl sulfide, and 2-chloroethyl ethyl sulfide. This supports our hypothesis that the physiological role of thioether methyltransferase is to methylate seleno-, telluro-, and thioethers to more water-soluble onium ions suitable for urinary excretion. Conversion of the mustard gas analog, 2-chloroethyl ethyl sulfide, to the methyl sulfonium derivative represents a newly discovered mechanism for biochemical detoxification of sulfur mustards, as this conversion blocks formation of the reactive episulfonium ion that is the ultimate alkylating agent for this class of compounds.

Mozier, N.M.; Hoffman, J.L. (Univ. of Louisville, KY (USA))

1990-12-01T23:59:59.000Z

375

Antiandrogenic properties of parabens and other phenolic containing small molecules in personal care products  

SciTech Connect (OSTI)

To identify the androgenic potency of commonly used antimicrobials, an in vitro androgen receptor-mediated transcriptional activity assay was employed to evaluate the androgenic/antiandrogenic activity of parabens and selected other antimicrobials containing a phenolic moiety. This cell-based assay utilizes a stably transfected cell line that lacks critical steroid metabolizing enzymes and is formatted in a 96-well format. At a concentration of 10 {mu}M, methyl-, propyl- and butyl-4-hydroxybenzoate (parabens) inhibited testosterone (T)-induced transcriptional activity by 40%, 33% and 19%, respectively (P < 0.05), while 4-hydroxybenzoic acid, the major metabolite of parabens, had no effect on T-induced transcriptional activity. Triclosan inhibited transcriptional activity induced by T by more than 92% at a concentration of 10 {mu}M, and 38.8% at a concentration of 1.0 {mu}M (P < 0.05). Thirty-four percent of T-induced transcriptional activity was inhibited by thymol at 10 {mu}M (P < 0.05). Cell proliferation and/or cytotoxicity were not observed in any of the treatments. None of the compounds appeared to be androgenic when tested individually without T. The data presented in this report demonstrate that some widely used antimicrobial compounds have antiandrogenic properties and warrant further investigation to fully understand their potential impact on human reproductive health.

Chen Jiangang [Center for Health and the Environment, University of California, Davis, CA 95616 (United States); Ahn, Ki Chang [Department of Entomology, University of California, Davis, CA 95616 (United States); Gee, Nancy A. [Center for Health and the Environment, University of California, Davis, CA 95616 (United States); California National Primate Research Center, University of California, Davis, CA 95616 (United States); Gee, Shirley J. [Department of Entomology, University of California, Davis, CA 95616 (United States); Hammock, Bruce D. [Department of Entomology, University of California, Davis, CA 95616 (United States); Cancer Research Center, University of California, Davis, CA 95616 (United States); Lasley, Bill L. [Center for Health and the Environment, University of California, Davis, CA 95616 (United States) and California National Primate Research Center, University of California, Davis, CA 95616 (United States)]. E-mail: bllasley@ucdavis.edu

2007-06-15T23:59:59.000Z

376

A Comparison of Electron-Transfer Dynamics inIonic Liquids and Neutral Solvents  

SciTech Connect (OSTI)

The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethylsulfonyl)amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a 1-N,1-N-dimethylbenzene-1,4-diamine donor, a proline bridge, and a coumarin 343 acceptor. The photoinduced electron-transfer processes are in the inverted regime (-{Delta}G > {lambda}) in all four solvents, with driving forces of -1.6 to -1.9 eV and estimated reorganization energies of about 1.0 eV. The observed electron-transfer kinetics have broadly distributed rates that are generally slower in the ionic liquids compared to the neutral solvents, which also have narrower rate distributions. To describe the broad distributions of electron-transfer kinetics, we use two different models: a distribution of exponential lifetimes and a discrete sum of exponential lifetimes. Analysis of the donor-acceptor electronic coupling shows that for ionic liquids this intramolecular electron-transfer reaction should be treated using a solvent-controlled electron-transfer model.

Wishart J. F.; Lee, H.Y.; Issa, J.B.; Isied, S.S.; Castner, Jr., E.W.; Pan, Y.; Hussey, C.L.; Lee, K.S.

2012-03-01T23:59:59.000Z

377

Catalytic conversion of carbohydrates into 5-hydroxymethylfurfural over cellulose-derived carbonaceous catalyst in ionic liquid  

Science Journals Connector (OSTI)

Abstract Three environmental-benign and low-cost carbon-based solid acid catalysts containing –SO3H, –COOH and phenolic –OH groups were prepared and used for the conversion of glucose into 5-hydroxymethylfurfural (HMF) in ionic liquid 1-butyl-3-methylimidazolium chloride ([BMIM]Cl). The results demonstrated that cellulose-derived carbonaceous catalyst (CCC) possessed the highest catalytic activity, which resulted in 46.4% HMF yield at 160 °C for only 15 min. In addition, the reaction kinetics for the conversion of glucose into HMF over CCC was fitted with the first-order rate equation. The slightly-deactivated CCC after four successive reaction runs could be easily regenerated by a simple carbonization and sulfonation process. More gratifyingly, the combination of CCC and [BMIM]Cl were confirmed to be suitable for converting other carbohydrates such as fructose, sucrose, maltose, cellobiose, starch and cellulose into HMF. Particularly, a plausible mechanism involving hydrolysis, isomerization and dehydration for the conversion of carbohydrates into HMF was also proposed.

Lei Hu; Geng Zhao; Xing Tang; Zhen Wu; Jiaxing Xu; Lu Lin; Shijie Liu

2013-01-01T23:59:59.000Z

378

Mesoporous tantalum oxide as catalyst for dehydration of glucose to 5-hydroxymethylfurfural  

Science Journals Connector (OSTI)

Abstract Mesoporous tantalum oxide was prepared by acid hydrolysis of tantalum penta-ethoxide in the presence of a triblock co-polymer Pluronic L-121, a non-ionic surfactant, at room temperature and subsequent calcination at 550 °C for 6 h. This solid exhibits a suitable specific surface area (79 m2 g?1) and a high acidity (353 ?mol NH3 g?1) with the presence of both Brönsted and Lewis acid sites, demonstrating to be active as solid acid catalyst in the dehydration of glucose to 5-hydroxymethylfurfural (HMF), in a biphasic water/methyl-iso-butyl ketone (MIBK) system. Thus, by using a glucose:catalyst weight ratio of 3:1, a glucose conversion of 69% and a HMF yield of 23% were achieved at 175 °C, and after only 90 min of reaction time. The catalytic process is selective toward HMF, which is preserved from ulterior hydration to levulinic acid. Fructose was also detected as by-product of glucose isomerisation with 14% of selectivity. The catalyst is very stable, since no leaching of tantalum species to the liquid phase was found; moreover, the catalytic performance of this acid solid is well recovered after calcination at 550 °C for 2 h.

I. Jiménez-Morales; M. Moreno-Recio; J. Santamaría-González; P. Maireles-Torres; A. Jiménez-López

2014-01-01T23:59:59.000Z

379

Zr(O)Cl2 catalyst for selective conversion of biorenewable carbohydrates and biopolymers to biofuel precursor 5-hydroxymethylfurfural in aqueous medium  

Science Journals Connector (OSTI)

Abstract The catalytic activity of Lewis acidic metal chlorides were screened for the production of biofuel precursor platform chemical, 5-hydroxymethylfurfural (HMF), from carbohydrates and biopolymers in aqueous and biphasic solvents under microwave and conventional heating methods. The screening of metal chloride catalysts for dehydration of several carbohydrate substrates revealed that Zr(O)Cl2 catalyst is the most effective. Cheap and readily abundant Zr(O)Cl2 catalyst produced 63% and 42% HMF from fructose and glucose, respectively, in water using methylisobutylketone (MIBK) as the organic phase in biphasic solvent system. The yield of HMF increased to 84% and 66% when Zr(O)Cl2 catalyzed dehydration of fructose and glucose was carried out in [BMIM]Cl (1-butyl-3-methylimidazolium chloride)-MIBK biphasic solvent. 1H NMR studies revealed that the dehydration reactions progressed through the formation of fructofuranose as an intermediate. Accordingly, a mechanism for isomerization of glucopyranose to fructofuranose has been proposed. The catalyst was recycled for five catalytic cycles without a significant loss in its activity.

Basudeb Saha; Sudipta De; Maohong Fan

2013-01-01T23:59:59.000Z

380

Polymeric ionic liquid (PIL)-supported recyclable catalysts for biomass conversion into HMF  

Science Journals Connector (OSTI)

This contribution reports the first study of recyclable PIL-supported metal (Cr, Al) catalysts for effective biomass (glucose and cellulose) conversion into 5-hydroxymethylfurfural (HMF), a key biorefining building block and biomass platform chemical. Of the five different \\{PILs\\} investigated, poly(3-butyl-1-vinylimidazolium chloride), P[BVIM]Cl, has been found to be most effective; when combined with CrCl2 in situ or used as the preformed PIL-metalate P[BVIM]+[CrCl3]? in DMF, this PIL-supported catalyst converts glucose to HMF in 65.8% yield at 120 °C for 3 h. This yield is higher than those achieved by the catalysts based on the PIL monomer, [BVIM]Cl–CrCl2, as well as by the most commonly used molecular IL based catalyst, 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl)–CrCl2, under otherwise identical conditions. The P[BVIM]Cl–CrCl2 catalyst system also works well for the cellulose-to-HMF conversion via a two-step process. The analogous PIL–Al catalyst, P[BVIM]Cl–Et2AlCl, is less effective than the PIL–CrCl2 system, but recyclability tests indicate the PIL–Al system is more recyclable thus achieving a nearly constant HMF yield upon 6 cycles.

Dajiang (D.J.) Liu; Eugene Y.-X. Chen

2013-01-01T23:59:59.000Z

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381

Reaction Pathways and Energetics of Etheric C?O Bond Cleavage Catalyzed by Lanthanide Triflates  

SciTech Connect (OSTI)

Efficient and selective cleavage of etheric C?O bonds is crucial for converting biomass into platform chemicals and liquid transportation fuels. In this contribution, computational methods at the DFT B3LYP level of theory are employed to understand the efficacy of lanthanide triflate catalysts (Ln(OTf)3, Ln = La, Ce, Sm, Gd, Yb, and Lu) in cleaving etheric C?O bonds. In agreement with experiment, the calculations indicate that the reaction pathway for C?O cleavage occurs via a C?H ? O?H proton transfer in concert with weakening of the C?O bond of the coordinated ether substrate to ultimately yield a coordinated alkenol. The activation energy for this process falls as the lanthanide ionic radius decreases, reflecting enhanced metal ion electrophilicity. Details of the reaction mechanism for Yb(OTf)3-catalyzed ring opening are explored in depth, and for 1-methyl-d3-butyl phenyl ether, the computed primary kinetic isotope effect of 2.4 is in excellent agreement with experiment (2.7), confirming that etheric ring-opening pathway involves proton transfer from the methyl group alpha to the etheric oxygen atom, which is activated by the electrophilic lanthanide ion. Calculations of the catalytic pathway using eight different ether substrates indicate that the more rapid cleavage of acyclic versus cyclic ethers is largely due to entropic effects, with the former C?O bond scission processes increasing the degrees of freedom/particles as the transition state is approached.

Assary, Rajeev S.; Atesin, Abdurrahman C.; Li, Zhi; Curtiss, Larry A.; Marks, Tobin J.

2013-07-15T23:59:59.000Z

382

Theinfluence of a hierarchical porous carbon network on the coherent dynamics of a nanoconfined room temperature ionic liquid: A neutron spin echo and atomistic simulation investigation  

SciTech Connect (OSTI)

The molecular-scale dynamic properties of the room temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, or [C4mim+ ][Tf2N ], confined in hierarchical microporous mesoporous carbon, were investigated using neutron spin echo (NSE) and molecular dynamics (MD) simulations. Both NSE and MD reveal pronounced slowing of the overall collective dynamics, including the presence of an immobilized fraction of RTIL at the pore wall, on the time scales of these approaches. A fraction of the dynamics, corresponding to RTIL inside 0.75 nm micropores located along the mesopore surfaces, are faster than those of RTIL in direct contact with the walls of 5.8 nm and 7.8 nm cylindrical mesopores. This behavior is ascribed to the near-surface confined-ion density fluctuations resulting from the ion ion and ion wall interactions between the micropores and mesopores as well as their confinement geometries. Strong micropore RTIL interactions result in less-coordinated RTIL within the micropores than in the bulk fluid. Increasing temperature from 296 K to 353 K reduces the immobilized RTIL fraction and results in nearly an order of magnitude increase in the RTIL dynamics. The observed interfacial phenomena underscore the importance of tailoring the surface properties of porous carbons to achieve desirable electrolyte dynamic behavior, since this impacts the performance in applications such as electrical energy storage devices.

Banuelos, Jose Leo [ORNL; Feng, Guang [ORNL; Fulvio, Pasquale F [ORNL; Li, Song [Vanderbilt University, Nashville; Rother, Gernot [ORNL; Arend, Nikolas [ORNL; Faraone, Antonio [National Institute of Standards and Technology (NIST); Dai, Sheng [ORNL; Cummings, Peter T [ORNL; Wesolowski, David J [ORNL

2014-01-01T23:59:59.000Z

383

Treatment of phosphogypsum waste produced from phosphate ore processing  

Science Journals Connector (OSTI)

Phosphogypsum (PG), primary byproduct from phosphoric acid production, is accumulated in large stockpiles and occupies vast areas of land. Phosphogypsum is a technologically enhanced naturally occurring radioactive material (TE-NORM) that contains radionuclides from 238U and 232Th decay series which are of most radio-toxicity. The reduction in concentration of radionuclides content from PG was based on leaching of 226Ra, 210Pb, 238U and 40K using tri-butyl phosphate (TBP) and tri-octyl phosphine oxide (TOPO) in kerosene. The factors which affect the leaching process such as contact time, concentration of the solvent and temperature were optimized. Based on the experimental results, about 92.1, 88.9, 83.4, 94.6% of 226Ra, 210Pb, 238U and 40K respectively were successfully removed from the PG. The reduction in the concentration of radionuclides was accompanied by reduction in the concentration of rare earth elements (?REE) equals to 80.1%. Using the desired organic extractant under optimum conditions for treatment of the PG waste leads to obtain a decontaminated product that can be safely used in many industrial applications.

H. El-Didamony; H.S. Gado; N.S. Awwad; M.M. Fawzy; M.F. Attallah

2013-01-01T23:59:59.000Z

384

Assessing and Managing the Risks of Fuel Compounds: Ethanol Case Study  

SciTech Connect (OSTI)

We have implemented a suite of chemical transport and fate models that provide diagnostic information about the behavior of ethanol (denoted EtOH) and other fuel-related chemicals released to the environment. Our principal focus is on the impacts to water resources, as this has been one of the key issues facing the introduction of new fuels and additives. We present analyses comparing the transport and fate of EtOH, methyl tertiary butyl ether (MTBE), and 2,2,4 trimethyl pentane (TMP) for the following cases (1) discharges to stratified lakes, subsurface release in a surficial soil, (3) cross-media transfer from air to ground water, and (4) fate in a regional landscape. These compounds have significantly different properties that directly influence their behavior in the environment. EtOH, for example, has a low Henry's law constant, which means that it preferentially partitions to the water phase instead of air. An advantageous characteristic of EtOH is its rapid biodegradation rate in water; unlike MTBE or TMP, which degrade slowly. As a consequence, EtOH does not pose a significant risk to water resources. Preliminary health-protective limits for EtOH in drinking water suggest that routine releases to the environment will not result in levels that threaten human health.

Layton, D.W.; Rice, D.W.

2002-02-04T23:59:59.000Z

385

Encapsulation and Characterization of Proton-Bound Amine Homodimers in a Water Soluble, Self-Assembled Supramolecular Host  

SciTech Connect (OSTI)

Cyclic amines can be encapsulated in a water-soluble self-assembled supramolecular host upon protonation. The hydrogen bonding ability of the cyclic amines, as well as the reduced degrees of rotational freedom, allows for the formation of proton-bound homodimers inside of the assembly which are otherwise not observable in aqueous solution. The generality of homodimer formation was explored with small N-alkyl aziridines, azetidines, pyrrolidines and piperidines. Proton-bound homodimer formation is observed for N-alkylaziridines (R = methyl, isopropyl, tert-butyl), N-alkylazetidines (R = isopropyl, tertbutyl), and N-methylpyrrolidine. At high concentration, formation of a proton-bound homotrimer is observed in the case of N-methylaziridine. The homodimers stay intact inside the assembly over a large concentration range, thereby suggesting cooperative encapsulation. Both G3(MP2)B3 and G3B3 calculations of the proton-bound homodimers were used to investigate the enthalpy of the hydrogen bond in the proton-bound homodimers and suggest that the enthalpic gain upon formation of the proton-bound homodimers may drive guest encapsulation.

Pluth, Michael; Fiedler, Dorothea; Mugridge, Jeffrey; Bergman, Robert; Raymond, Kenneth

2008-10-01T23:59:59.000Z

386

Advanced quadrupole ion trap instrumentation for low level vehicle emissions measurements. CRADA final report for number ORNL93-0238  

SciTech Connect (OSTI)

Quadrupole ion trap mass spectrometry has been evaluated for its potential use in vehicle emissions measurements in vehicle test facilities as an analyzer for the top 15 compounds contributing to smog generation. A variety of ionization methods were explored including ion trap in situ chemical ionization, atmospheric sampling glow discharge ionization, and nitric oxide chemical ionization in a glow discharge ionization source coupled with anion trap mass spectrometer. Emphasis was placed on the determination of hydrocarbons and oxygenated hydrocarbons at parts per million to parts per billion levels. Ion trap in situ water chemical ionization and atmospheric sampling glow discharge ionization were both shown to be amenable to the analysis of arenes, alcohols, aldehydes and, to some degree, alkenes. Atmospheric sampling glow discharge also generated molecular ions of methyl-t-butyl ether (MTBE). Neither of these ionization methods, however, were found to generate diagnostic ions for the alkanes. Nitric oxide chemical ionization, on the other hand, was found to yield diagnostic ions for alkanes, alkenes, arenes, alcohols, aldehydes, and MTBE. The ability to measure a variety of hydrocarbons present at roughly 15 parts per billion at measurement rates of 3 Hz was demonstrated. These results have demonstrated that the ion trap has an excellent combination of sensitivity, specificity, speed, and flexibility with respect to the technical requirements of the top 15 analyzer.

McLuckey, S.A.; Buchanan, M.V.; Asano, K.G.; Hart, K.J.; Goeringer, D.E. [Oak Ridge National Lab., TN (United States); Dearth, M.A. [Ford Motor Co., Dearborn, MI (United States). Environmental Research Consortium

1997-09-01T23:59:59.000Z

387

Homoleptic Ce(III) and Ce(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State  

SciTech Connect (OSTI)

Electrochemical experiments performed on the complex Ce-IV[2-((BuNO)-Bu-t)py](4), where [2-((BuNO)-Bu-t)py](-) = N-tert-butyl-N-2-pyridylnitroxide, indicate a 2.51 V stabilization of the 4+ oxidation state of Ce compared to [(Bu4N)-Bu-n](2)[Ce(NO3)(6)] in acetonitrile and a 2.95 V stabilization compared to the standard potential for the ion under aqueous conditions. Density functional theory calculations suggest that this preference for the higher oxidation state is a result of the tetrakis(nitroxide) ligand framework at the Ce cation, which allows for effective electron donation into, and partial covalent overlap with, vacant 4f orbitals with delta symmetry. The results speak to the behavior of CeO2 and related solid solutions in oxygen uptake and transport applications, in particular an inherent local character of bonding that stabilizes the 4+ oxidation state. The results indicate a cerium(IV) complex that has been stabilized to an unprecedented degree through tuning of its ligand-field environment.

Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A.; Piro, Nicholas A.; Carroll, Patrick J.; Booth, Corwin H.; Schelter, Eric J.

2014-06-25T23:59:59.000Z

388

Effect of montmorillonite on carboxylated styrene butadiene rubber/hindered phenol damping material with improved extraction resistance  

Science Journals Connector (OSTI)

Abstract Three methods of blending, including direct blending, melt blending and latex blending, were introduced to disperse sodium based montmorillonite (Na-MMT) and N,N?-hexane-1,6-diylbis{3-(5-di-tert-butyl-4-hydroxyphenyl-propionamide)} (HP1098) into the carboxylated styrene butadiene (XSBR) matrix. Small angle X-ray Diffraction testing indicated that melting Na-MMT with HP1098 enlarged the d-spacing of Na-MMT, which was further enlarged by mechanical blending with XSBR, and this led to homogeneous dispersion of Na-MMT and HP1098, which was indicated by Transmission Electronic Microscopy; latex blending was found most advantageous in dispersing HP1098 which was essential for improved damping performance. Dynamic Mechanical Analysis was utilized to characterize damping properties, and enhanced static mechanical properties were presumably originated from molecule chains being intercalated into the enlarged galleries of Na-MMT by mechanical blending. Formation of hydrogen bonds was observed by Fourier Transformation Infrared Spectrum and was supposed to be responsible for exceptional damping performance at elevated temperature. Extraction measurement of XSBR/Na-MMT/HP1098 composite indicated that XSBR and Na-MMT showed synergic effect in protecting HP1098 molecules from being extracted, which is a promising method in preparing rubber/hindered phenol damping materials with improved extraction resistance, whereby increasing the performance stability and lifespan of the composite materials. Additional advantage of this type of materials is better processability and shortened vulcanization process.

Yuan Gao; Xiaoping Wang; Meijun Liu; Xue Xi; Xin Zhang; Demin Jia

2014-01-01T23:59:59.000Z

389

Milestone Report - Complete New Adsorbent Materials for Marine Testing to Demonstrate 4.5 g-U/kg Adsorbent  

SciTech Connect (OSTI)

This report describes work on the successful completion of Milestone M2FT-14OR03100115 (8/20/2014) entitled, “Complete new adsorbent materials for marine testing to demonstrate 4.5 g-U/kg adsorbent”. This effort is part of the Seawater Uranium Recovery Program, sponsored by the U.S. Department of Energy, Office of Nuclear Energy, and involved the development of new adsorbent materials at the Oak Ridge National Laboratory (ORNL) and marine testing at the Pacific Northwest National Laboratory (PNNL). ORNL has recently developed two new families of fiber adsorbents that have demonstrated uranium adsorption capacities greater than 4.5 g-U/kg adsorbent after marine testing at PNNL. One adsorbent was synthesized by radiation-induced graft polymerization of itaconic acid and acrylonitrile onto high surface area polyethylene fibers followed by amidoximation and base conditioning. This fiber showed a capacity of 4.6 g-U/kg adsorbent in marine testing at PNNL. The second adsorbent was prepared by atom-transfer radical polymerization of t-butyl acrylate and acrylonitrile onto halide-functionalized round fibers followed by amidoximation and base hydrolysis. This fiber demonstrated uranium adsorption capacity of 5.4 g-U/kg adsorbent in marine testing at PNNL.

Janke, Christopher James [ORNL; Das, Sadananda [ORNL; Oyola, Yatsandra [ORNL; Mayes, Richard T. [ORNL; Saito, Tomonori [ORNL; Brown, Suree [ORNL; Gill, Gary [PNNL; Kuo, Li-Jung [PNNL; Wood, Jordana [PNNL

2014-08-01T23:59:59.000Z

390

Soft ionization of thermally evaporated hypergolic ionic liquid aerosols  

SciTech Connect (OSTI)

Isolated ion pairs of a conventional ionic liquid, 1-Ethyl-3-Methyl-Imidazolium Bis(trifluoromethylsulfonyl)imide ([Emim+][Tf2N?]), and a reactive hypergolic ionic liquid, 1- Butyl-3-Methyl-Imidazolium Dicyanamide ([Bmim+][Dca?]), are generated by vaporizing ionic liquid submicron aerosol particles for the first time; the vaporized species are investigated by dissociative ionization with tunable vacuum ultraviolet (VUV) light, exhibiting clear intact cations, Emim+ and Bmim+, presumably originating from intact ion pairs. Mass spectra of ion pair vapor from an effusive source of the hypergolic ionic liquid show substantial reactive decomposition due to the internal energy of the molecules emanating from the source. Photoionization efficiency curves in the near threshold ionization region of isolated ion pairs of [Emim+][Tf2N?] ionic liquid vapor are compared for an aerosol source and an effusive source, revealing changes in the appearance energy due to the amount of internal energy in the ion pairs. The aerosol source has a shift to higher threshold energy (~;;0.3 eV), attributed to reduced internal energy of the isolated ion pairs. The method of ionic liquid submicron aerosol particle vaporization, for reactive ionic liquids such as hypergolic species, is a convenient, thermally ?cooler? source of isolated intact ion pairs in the gas phase compared to effusive sources.

University of California; ERC, Incorporated, Edwards Air Force Base; Air Force Research Laboratory, Edwards Air Force Base; National Synchrotron Radiation Research Center (NSRRC); Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; L.Vaghjiani, Ghanshyam; Leone, Stephen R.

2012-03-16T23:59:59.000Z

391

Radioactive material package seal tests  

SciTech Connect (OSTI)

General design or test performance requirements for radioactive materials (RAM) packages are specified in Title 10 of the US Code of Federal Regulations Part 71 (US Nuclear Regulatory Commission, 1983). The requirements for Type B packages provide a broad range of environments under which the system must contain the RAM without posing a threat to health or property. Seals that provide the containment system interface between the packaging body and the closure must function in both high- and low-temperature environments under dynamic and static conditions. A seal technology program, jointly funded by the US Department of Energy Office of Environmental Restoration and Waste Management (EM) and the Office of Civilian Radioactive Waste Management (OCRWM), was initiated at Sandia National Laboratories. Experiments were performed in this program to characterize the behavior of several static seal materials at low temperatures. Helium leak tests on face seals were used to compare the materials. Materials tested include butyl, neoprene, ethylene propylene, fluorosilicone, silicone, Eypel, Kalrez, Teflon, fluorocarbon, and Teflon/silicone composites. Because most elastomer O-ring applications are for hydraulic systems, manufacturer low-temperature ratings are based on methods that simulate this use. The seal materials tested in this program with a fixture similar to a RAM cask closure, with the exception of silicone S613-60, are not leak tight (1.0 {times} 10{sup {minus}7} std cm{sup 3}/s) at manufacturer low-temperature ratings. 8 refs., 3 figs., 1 tab.

Madsen, M.M.; Humphreys, D.L.; Edwards, K.R.

1990-01-01T23:59:59.000Z

392

Cask systems development program seal technology  

SciTech Connect (OSTI)

General design or test performance requirements for radioactive materials (RAM) packages are specified in Title 10 of the US Code of Federal Regulations Part 71 (10 CFR 71). Seals that provide the containment system interface between the packaging body and the closure must function in both high- and low-temperature environments under dynamic and static conditions. Experiments were performed to characterize the performance of several seal materials at low temperatures. Helium leak tests on face seals were used to compare the materials. Materials tested include butyl, neoprene, ethylene propylene, fuorosilicone, silicone, Eypel, Kalrez, Teflon, fluorocarbon, and Teflon/silicone composites. Results show that the seal materials tested, with the exception of silicone S613-60, are not leak tight at manufacturer low-temperature ratings. This paper documents the initial series of experiments developed to characterize the performance of several static seals under conditions representative of RAM transport container environments. Helium leak rates of face seals were measured at low and ambient temperatures to compare seal materials. As scaling laws have not been developed for seals, the leakage rates measured in this program are intended to be used in a qualitative rather than quantitative manner. 5 refs., 7 figs., 2 tabs.

Madsen, M.M.; Edwards, K.R.; Humphreys, D.L.

1991-01-01T23:59:59.000Z

393

A method to screen for the antioxidant effect of compounds on Low-Density Lipoprotein (LDL): Illustration with flavonoids  

Science Journals Connector (OSTI)

We used a recently described anion-exchange chromatographic method (Vedie et al. J Lipid Res 1991;32: 1359) to study the protective effect of potential inhibitors of low-density lipoprotein (LDL) oxidation mediated by cupric ion. By way of an example, we studied eight flavonoids (flavone, 3-hydroxyflavone, chrysin, galangin, fisetin, morin, quercetin, and myricetin) as well as three non-flavonoid antioxidants, butylated hydroxytoluene (BHT), probucol, and vitamin C, as reference compounds. Each compound was tested at various concentrations (1–100 ?M). For flavonoid concentrations of 10 ?M, an index was calculated as the (LDL control-flavonoid)/(LDL control-probucol) ratio, in which each term is expressed as the percentage of the most electronegative LDL fraction (fraction E). If the index is positive, the flavonoid inhibits LDL oxidation. A value > 1 (3-hydroxyflavone and galangin) means greater activity than probucol, whereas a value fisetin). If the index is around 0 (flavone and chrysin), the flavonoid is inactive. Finally, a negative value reflects possible prooxidant activity (morin, quercetin, and myricetin). Our results show that this chromatographic method can be applied to screening new pharmacological agents for activity against LDL oxidation.

I. Myara; I. Pico; B. Vedie; N. Moatti

1993-01-01T23:59:59.000Z

394

Process for producing high purity isoolefins and dimers thereof by dissociation of ethers  

DOE Patents [OSTI]

Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150 to 250 F at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C[sub 3] to C[sub 6] and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom. 2 figs.

Smith, L.A. Jr.; Jones, E.M. Jr.; Hearn, D.

1984-05-08T23:59:59.000Z

395

CRC fuel rating program: road octane performance of oxygenates in 1982 model cars  

SciTech Connect (OSTI)

Because of the widespread interest in the use of alcohols and ethers as gasoline blending components, this program was conducted to evaluate the effects of several oxygenates on gasoline octane performance and to evaluate the effects of car design features such as engine and transmission type. Five oxygenates were evaluated at two nominal concentrations, 5 and 10 volume%, at both regular- and premium-grade octane levels: methanol (MeOH), ethanol (ETOH), isopropanol (IPA), tertiary butanol (TBA), and methyl tertiary butyl ether (MTBE). A blend of 5% MeOH and 5 percent TBA was also tested at both octane levels. Twenty-eight unleaded fuels, including four hydrocarbon fuels, two hydrocarbon fuels plus toluene, and twenty-two oxygenated fuels, were rated in duplicate in thirty-eight cars using the Modified Uniontown Technique (CRC Designation F-28-75 described in Appendix C), plus some additional instructions. All testing was done on chassis dynamometers. Ratings were obtained at full throttle with all thirty-eight cars, and at the most critical part-throttle condition (occurring with manifold vacuum of 4 in. Hg (13.5 kPa) or greater above the full-throttle vacuum) with nine cars.

Not Available

1985-07-01T23:59:59.000Z

396

Speciation of plutonium and other metals under UREX process conditIONS  

SciTech Connect (OSTI)

The extractability of various Pu and Np species into tri-n-butyl phosphate (TBP) was investigated. The concentration effects of aceto-hydroxamic acid, nitric acid and nitrate on the distribution ratio of U, Pu and Np were investigated. The considerable ability of AHA to form complexes with the studied elements even under strong acidic conditions was found. While the difference in the extraction of uranyl in the presence and absence of AHA is minimal, extraction yields of Pu and Np decrease significantly. The UV-Vis-NIR and FT-IR spectroscopic investigations of uranium, plutonium, and neptunium species in the presence and absence of AHA in both aqueous and organic extraction phase were also performed. Spectroscopic analysis showed that the organic phase can contain a substantial amount of metal-hydroxamate species. A solvated ternary complex of uranium UO{sub 2}.AHA.NO{sub 3}.2TBP was observed only after prolonged contact between the aqueous and organic phases, whereas the plutonium hydroxamate species, presumably Pu(AHA){sub x}(NO{sub 3}){sub 4-x}.2TBP, appeared in the organic phase after a four minute extraction. (authors)

Paulenova, Alena; Tkac, Peter [Radiation Center, Oregon State University 100 Radiation Center, Corvallis, OR 97331-5903 (United States); Matteson, Brent S. [Department of Chemistry, Oregon State University 100 Radiation Center, Corvallis, OR 97331-5903 (United States)

2007-07-01T23:59:59.000Z

397

Behavior of tritium in the Purex process  

SciTech Connect (OSTI)

The tri-n-butyl phosphate(TBP) extraction behavior of tritium was studied to support the evaluation of tritium confinement in the Purex process. The tritium distribution ratio in the system of U - 30% TBP/n-dodecane(nDD) - HNO[sub 3] [minus]H[sub 2]O was measured in batch-wise experiments. The tritium decontamination factor in a tritium scrubbing step was measured in chemical flow sheet experiments using a 6 stage mixer-settler having an internal recycle system of aqueous solution in each stage. Tritium was mainly extracted in the forms of water and nitric acid in the system. Less than 1% of the amount of tritium in the organic phase was fixed in the degradation products of the solvent. A tritium decontamination factor of about 500 in the tritium scrubbing step was obtained under the conditions of about 85 g-U/dm[sup 3] of uranium concentration in the irradiated solvent(30% TBP/nDD), 3 M nitric acid in the tritium scrubbing solution and an organic: aqueous phase ratio of 25. 17 refs., 14 figs., 1 tab.

Uchiyama, Gunzo; Fujine, Sachio; Maeda, Mitsuru; Sugikawa, Susumu; Tsujino, Takeshi (Japan Atomic Eenrgy Inst., Ibaraki (Japan))

1995-01-01T23:59:59.000Z

398

Role of alkyl alcohol on viscosity of silica-based chemical gels for decontamination of highly radioactive nuclear facilities  

SciTech Connect (OSTI)

Silica-based chemical gel for the decontamination of nuclear facilities was prepared by using fumed silica as a viscosifier, a 0.5 M Ce (IV) solution dissolved in concentrated nitric acid as a chemical decontamination agent, and tripropylene glycol butyl ether (TPGBE) as a co-viscosifier. A new effective strategy for the preparation of the chemical gel was investigated by introducing the alkyl alcohols as organic solvents to effectively dissolve the co-viscosifier. The mixture solution of the co-viscosifier and alkyl alcohols was more effective in the control of viscosity than that of the co-viscosifier only in gel. Here, the alkyl alcohols played a key role as an effective dissolution solvent for the co-viscosifier in the preparation of the chemical gel, resulting in a reducing of the amount of the co-viscosifier and gel time compared with that of the chemical gel prepared without the alkyl alcohols. It was considered that the alkyl alcohols contributed to the effective dissolution of the co-viscosifier as well as the homogeneous mixing in the formation of the gel, while the co-viscosifier in an aqueous media of the chemical decontamination agent solution showed a lower solubility. The decontamination efficiency of the chemical gels prepared in this work using a multi-channel analyzer (MCA) showed a high decontamination efficiency of over ca. 94% and ca. 92% for Co-60 and Cs-137 contaminated on surface of the stainless steel 304, respectively. (authors)

Choi, B. S.; Yoon, S. B.; Jung, C. H.; Lee, K. W.; Moon, J. K. [Div. of Decontamination and Decommissioning Technology Development, Korea Atomic Energy Research Inst., Daedeok-daero 989-111, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of)

2012-07-01T23:59:59.000Z

399

Design and Synthesis of Melanocortin Peptides with Candidacidal and Anti-TNF-? Properties  

Science Journals Connector (OSTI)

In a search for synthetic ?-MSH analogues with superior antimicrobial properties over the natural molecule, we recently designed and synthesized novel peptides based on the ?-MSH (6?13) sequence H-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2. ... The following additional abbreviations are used:? Boc, tert-butyloxycarbonyl; DCM, dichloromethane; DIPEA, N,N-diisopropylethylamine; DMF, N,N-dimethylformamide; Et3SiH, triethylsilane; FAB-MS, fast-atom bombardment mass spectrometry; Fmoc, 9-fluorenylmethoxycarbonyl; HBTU, 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate; HEPES, N-(2-hydroxyethyl)-piperazine-N‘-(2-ethanesulfonic acid); HOBt, N-hydroxybenzotriazole; LPS, lipolysaccharide; NDP-?-MSH, (Nle-4,DPhe-7)-?-MSH; PBMC, peripheral blood mononuclear cells; Pbf, 2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl; POMC, proopiomelanocortin; RP-HPLC, reversed-phase high performance liquid chromatography; tBu, tert-butyl; TFA, trifluoroacetic acid; TNF-?, tumor necrosis factor-?; Trt, triphenylmethyl (trityl). ...

Paolo Grieco; Claudia Rossi; Stefano Gatti; Gualtiero Colombo; Andrea Carlin; Ettore Novellino; Teresa Lama; James M. Lipton; Anna Catania

2005-02-02T23:59:59.000Z

400

Responsive copolymers for enhanced petroleum recovery. Annual report  

SciTech Connect (OSTI)

A coordinated research program involving synthesis, characterization, and rheology has been undertaken to develop advanced polymer system which should be significantly more efficient than polymers presently used for mobility control and conformance. Unlike the relatively inefficient, traditional EOR polymers, these advanced polymer systems possess microstructural features responsive to temperature, electrolyte concentration, and shear conditions. Contents of this report include the following chapters. (1) First annual report responsive copolymers for enhanced oil recovery. (2) Copolymers of acrylamide and sodium 3-acrylamido-3-methylbutanoate. (3) Terpolymers of NaAMB, Am, and n-decylacrylamide. (4) Synthesis and characterization of electrolyte responsive terpolymers of acrylamide, N-(4-butyl)phenylacrylamide, and sodium acrylate, sodium-2-acrylamido-2-methylpropanesulphonate or sodium-3-acrylamido-3-methylbutanoate. (5) Synthesis and solution properties of associative acrylamido copolymers with pyrensulfonamide fluorescence labels. (6) Photophysical studies of the solution behavior of associative pyrenesulfonamide-labeled polyacrylamides. (7) Ampholytic copolymers of sodium 2-(acrylamido)-2-methylpropanesulfonate with [2-(acrylamido)-2-methypropyl]trimethylammonium chloride. (8) Ampholytic terpolymers of acrylamide with sodium 2-acrylamido-2-methylpropanesulphoante and 2-acrylamido-2-methylpropanetrimethyl-ammonium chloride and (9) Polymer solution extensional behavior in porous media.

McCormick, C.; Hester, R.

1994-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Investigation of test methods, material properties, and processes for solar cell encapsulants. Annual report  

SciTech Connect (OSTI)

The goal of this program is to identify, evaluate, and recommend encapsulant materials and processes for the production of cost-effective, long-life solar cell modules. Technical activities during the past year have covered a number of topics and have emphasized the development of solar module encapsulation technology that employs ethylene/vinyl acetate, copolymer (EVA) as the pottant. These activities have included: (1) continued production of encapsulation grade EVA in sheet form to meet the needs of the photovoltaic industry; (2) investigations of three non-blocking techniques for EVA sheet; (3) performed an economic analysis of the high volume production of each pottant in order to estimate the large volume selling price (EVA, EPDM, aliphatic urethane, PVC plastisol, and butyl acrylate); (4) initiated an experimental corrosion protection program to determine if metal components could be successfully protected by encapsulation; (5) began an investigation to determine the maximum temperature which can be tolerated by the candidate pottant material in the event of hot spot heating or other temperature override; (6) continuation of surveys of potentially useful outer cover materials; and (7) continued with the accelerated artificial weathering of candidate encapsulation materials. Study results are presented. (WHK)

Willis, P. B.; Baum, B.; Schnitzer, H. S.

1980-07-01T23:59:59.000Z

402

Transition metal-free olefin polymerization catalyst  

DOE Patents [OSTI]

Ethylene and/or propylene are polymerized to form high molecular weight, linear polymers by contacting ethylene and/or propylene monomer, in the presence of an inert reaction medium, with a catalyst system which consists essentially of (1) an aluminum alkyl component, such as trimethylaluminum, triethylaluminum, triisobutylaluminum, tri-n-octylaluminum and diethylaluminum hydride and (2) a Lewis acid or Lewis acid derivative component, such as B (C.sub.6 F.sub.5).sub.3, [(CH.sub.3).sub.2 N (H) (C.sub.6 H.sub.5)].sup.+ [B (C.sub.6 F.sub.5)4].sup.-, [(C.sub.2 H.sub.5).sub.3 NH].sup.+ [B C.sub.6 F.sub.5).sub.4 ],.sup.-, [C(C.sub.6 F.sub.5).sub.3 ].sup.+ [B(C.sub.6 F.sub.5).sub.4 ].sup.-, (C.sub.2 H.sub.5).sub.2 Al(OCH.sub.3), (C.sub.2 H.sub.5).sub.2 Al(2,6-di-t-butyl-4-methylphenoxide), (C.sub.2 H.sub.5)Al(2,6 -di-t-butylphenoxide).sub.2, (C.sub.2 H.sub.5).sub.2 Al(2,6-di-t-butylphonoxide) , 2,6 -di-t-butylphenol.multidot.methylaluminoxane or an alkylaluminoxane, and which may be completely free any transition metal component(s).

Sen, Ayusman (State College, PA); Wojcinski, II, Louis M. (State College, PA); Liu, Shengsheng (State College, PA)

2001-01-01T23:59:59.000Z

403

Bilayers in nanoparticle-doped polar mesogens  

Science Journals Connector (OSTI)

Structures of the mesophases of five members of the 4-n-alkyl-4?-cyanobiphenyl homologous series (4-n-butyl-4?-cyanobiphenyl to 4-n-octyl-4?-cyanobiphenyl) doped with milled BaTiO3 nanoparticles were investigated by x-ray scattering. Clear solutions of each of the 4-n-alkyl-4?-cyanobiphenyls were first prepared in n-heptane and then doped with an n-heptane/nanoparticle dispersion, which led to gelation. The nanogels were found to be one-dimensional, multilayered, smectic nanostructures in each case. Surprisingly, a characteristic layer spacing of 4.5 nm was observed in all five homologues. Synchrotron x-ray scattering study of the multilayer structures of doped 4-n-pentyl-4?-cyanobiphenyl and 4-n-octyl-4?-cyanobiphenyl revealed nine orders of the primary Bragg reflection which were used to calculate the electron density profiles of the multilayers by Fourier analysis. The multilayers were found to consist of molecular bilayers wherein the mesogens were arranged in a head-to-head assembly of the polar head groups. The alkyl tails of the mesogenic molecules were freely movable and the tail-to-tail assembly was stabilized by heptane. The dissolved nanoparticles clearly induced a new self-assembled nanostructure in which the rigid aromatic part, and not the overall length, of the molecules defined the layer spacing.

Alexander Lorenz; Deña M. Agra-Kooijman; Natalie Zimmermann; Heinz-S. Kitzerow; Dean R. Evans; Satyendra Kumar

2013-12-10T23:59:59.000Z

404

Investigation of metal ion extraction and aggregate formation combining acidic and neutral organophosphorous reagents  

SciTech Connect (OSTI)

In the present study, we investigate how varying mixtures of tri-n-butyl phosphate (TBP) and dibutyl phosphate (HDBP) results in enhanced extraction of lanthanum(III), La{sup 3+}, and dysprosium(III), Dy{sup 3+}. Water and metal ion extraction were carefully monitored as a function of TBP:HDBP mole ratio.In addition to these techniques, EXAFS was used to determine the coordination environment of the metal ion in this system. To produce the necessary signal, a concentration of 1.25*10{sup -3} M La{sup 3+} and Dy{sup 3+} was used. Although previous studies of synergistic extraction of metal cations using combinations of neutral and acidic reagents explain the enhanced extraction by increased dehydration of the metal ion and the formation of mixed extractant complexes, our evidence for the increased water extraction coupled with the aggregate formation suggests a reverse micellar aspect to synergism in the system containing TBP and HDBP. It is quite possible that both of these phenomena contribute to our system behavior. The EXAFS data shows that, based on coordination numbers alone, several possible structures may exist. From this study, we cannot provide a definitive answer as to the nature of extraction in this system or the exact complex formed during extraction.

Braatz, A.D.; Nilsson, M. [Department of Chemical Engineering and Materials Science, 916 Engineering Tower, University of California-Irvine, Irvine, CA 92697-2575 (United States); Ellis, R.; Antonio, M. [Chemical Science and Engineering Division, Argonne National Laboratory, Building 200 9700 South Cass Ave, Argonne, IL 60439-4831 (United States)

2013-07-01T23:59:59.000Z

405

Effects of carbon-chain length of trifluoroacetate co-solvents for lithium-ion battery electrolytes using at low temperature  

Science Journals Connector (OSTI)

Abstract Trifluoroacetate is suitable as a co-solvent of rechargeable lithium-ion battery electrolyte for low temperature use. In this work, the following four trifluoroacetate solvents have been studied: (1) methyl trifluoroacetate (MTFA), (2) ethyl trifluoroacetate (ETFA), (3) n-butyl trifluoroacetate (NBTFA), (4) n-hexyl trifluoroacetate (NHTFA). Our efforts focus on the effect of carbon-chain length in trifluorinated acetate's molecular structure. These solvents have been incorporated into multi-component carbonate-based electrolytes and evaluated in lithium–graphite cells. FTIR spectrum has been used to analyze the dissociation of LiPF6 in a single co-solvent. The migration abilities of solvated Li+ have been characterized by ionic conductivities and viscosities. It could be concluded that the trifluoroacetate with long carbon-chain has a weak ability to dissociate LiPF6 salt into free ions, and simultaneously decreases mobility of solvated Li+ in the modified electrolyte. The charge–discharge test has shown a larger capacity shrink of lithium de-intercalation at low temperature and higher polarization potential on graphite electrode. As a low-temperature co-solvent, the carbon-chain length of alcohol group in trifluoroacetate structure should be selected as short as possible.

Wei Lu; Kai Xie; Yi Pan; Zhong-xue Chen; Chun-man Zheng

2013-01-01T23:59:59.000Z

406

The conversion of natural gas to liquid fuels using the Sasol Slurry Phase Distillate Process  

SciTech Connect (OSTI)

The natural gas and energy industries have long sought an economically attractive means of converting remote gas reserves into transportable products, such as fuels or petrochemicals. Applicable gas sources include: undeveloped gas fields in locations so remote that pipeline construction is prohibitively expensive and associated gas from oil wells that is either flared, which is becoming environmentally unacceptable in many parts of the world, or reinjected, which is costly. Projects which have been developed to exploit such feeds typically have converted the gas into one of the following: (1) liquefied natural gas (LNG)--the process plants for LNG production are expensive, need to be very large to be economically viable, have costly dedicated shipping requirements, and suffer from a limited market concentrated in few countries; (2) methanol--the market for petrochemical feedstock methanol is limited, for use as a fuel, further downstream processing is needed, for example in a methyl tertiary butyl ether (MTBE) or methanol to gasoline (MTG) unit. Clearly, there is a need for an alternative that produces high quality fuels or value added products that can be transported to far-off markets, while yielding an attractive return on the developers` investment. The Sasol Slurry Phase Distillate Process will fulfill this need.

Silverman, R.W. [Raytheon Engineers and Constructors, Cambridge, MA (United States); Hill, C.R. [Sastech, Johannesburg (South Africa)

1997-12-31T23:59:59.000Z

407

The photocatalysis of Bi{sub 2}MoO{sub 6} under the irradiation of blue LED  

SciTech Connect (OSTI)

Graphical abstract: - Highlights: • ·OH trap and hole sink were involved to investigate the active radicals. • Holes play a more important role in the degradation of RhB. • The ·OH were related to the decomposition of phenol. • The ·O{sub 2}-played a leading role in the photodegradation of phenol. • Blue LED is competitive and promising alternative for the future application. - Abstract: Bi{sub 2}MoO{sub 6} has been reported as a promising photocatalyst in wastewater treatment. The active radicals generated over the Bi{sub 2}MoO{sub 6} during the photocatalytic process were thought to be hydroxyl radical (·OH) but have not been proved. Herein, Bi{sub 2}MoO{sub 6} with nanoplate like morphology was synthesized and its photocatalytic performances in the degradation of rhodamine B (RhB) and phenol as colored and colorless model pollutants respectively were evaluated under the irradiation of blue light emitting diode (LED). The tert-butyl alcohol (TBA) as a ·OH trap and ethylene diamine tetraacetic acid (EDTA) as a hole sink were involved to investigate the main active groups that are generated on Bi{sub 2}MoO{sub 6} and function during the photodegradation of RhB and phenol. In addition, it is a competitive and promising alternative plan to use blue LED as light source for the future practical application in environmental remediation.

Sun, Yuanyuan; Wang, Wenzhong, E-mail: wzwang@mail.sic.ac.cn; Zhang, Ling; Sun, Songmei

2013-10-15T23:59:59.000Z

408

Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance  

SciTech Connect (OSTI)

Molecular dynamics (MD) simulations of the interface between graphene and the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate (BMIM OTf) were carried out to gain molecular-level insights into the performance of graphene-based supercapacitors and, in particular, determine the effects of the presence of oxygen-containing defects at the graphene surface on their integral capacitance. The MD simulations predict that increasing the surface coverage of hydroxyl groups negatively affects the integral capacitance, whereas the effect of the presence of epoxy groups is much less significant. The calculated variations in capacitance are found to be directly correlated to the interfacial structure. Indeed, hydrogen bonding between hydroxyl groups and SO3 anion moieties prevents BMIM+ and OTf- molecules from interacting favorably in the dense interfacial layer and restrains the orientation and mobility of OTf- ions, thereby reducing the permittivity of the ionic liquid at the interface. The results of the molecular simulations can facilitate the rational design of electrode materials for supercapacitors.

Kerisit, Sebastien N.; Schwenzer, Birgit; Vijayakumar, M.

2014-06-19T23:59:59.000Z

409

The used nuclear fuel problem - can reprocessing and consolidated storage be complementary?  

SciTech Connect (OSTI)

This paper describes our CISF (Consolidated Interim Storage Facilities) and Reprocessing Facility concepts and show how they can be combined with a geologic repository to provide a comprehensive system for dealing with spent fuels in the USA. The performance of the CISF was logistically analyzed under six operational scenarios. A 3-stage plan has been developed to establish the CISF. Stage 1: the construction at the CISF site of only a rail receipt interface and storage pad large enough for the number of casks that will be received. The construction of the CISF Canister Handling Facility, the Storage Cask Fabrication Facility, the Cask Maintenance Facility and supporting infrastructure are performed during stage 2. The construction and placement into operation of a water-filled pool repackaging facility is completed for Stage 3. By using this staged approach, the capital cost of the CISF is spread over a number of years. It also allows more time for a final decision on the geologic repository to be made. A recycling facility will be built, this facility will used the NUEX recycling process that is based on the aqueous-based PUREX solvent extraction process, using a solvent of tri-N-butyl phosphate in a kerosene diluent. It is capable of processing spent fuels at a rate of 5 MT per day, at burn-ups up to 50 GWD per ton of spent fuels and a minimum of 5 years out-of-reactor cooling.

Phillips, C.; Thomas, I. [EnergySolutions Federal EPC., 2345 Stevens Drive, Richland, WA 99354 (United States)

2013-07-01T23:59:59.000Z

410

Selecting activated carbon for water and wastewater treatability studies  

SciTech Connect (OSTI)

A series of follow-up investigations were performed to produce data for improving the four-indicator carbon selection method that we developed to identify high-potential activated carbons effective for removing specific organic water pollutants. The carbon's pore structure and surface chemistry are dependent on the raw material and the activation process. Coconut carbons have relatively more small pores than large pores; coal and apricot nutshell/walnut shell fruit carbons have the desirable pore structures for removing adsorbates of all sizes. Chemical activation, excessive activation, and/or thermal reactivation enlarge small pores, resulting in reduced phenol number and higher tannic acid number. Activated carbon's phenol, iodine, methylene blue, and tannic acid numbers are convenient indicators of its surface area and pore volume of pore diameters < 10, 10-15, 15-28, and > 28 angstrom, respectively. The phenol number of a carbon is also a good indicator of its surface acidity of oxygen-containing organic functional groups that affect the adsorptive capacity for aromatic and other small polar organics. The tannic acid number is an indicator of carbon's capacity for large, high-molecular-weight natural organic precursors of disinfection by-products in water treatment. The experimental results for removing nitrobenzene, methyl-tert-butyl ether, 4,4-bisphenol, humic acid, and the organic constituents of a biologically treated coking-plant effluent have demonstrated the effectiveness of this capacity-indicator-based method of carbon selection.

Zhang, W.; Chang, Q.G.; Liu, W.D.; Li, B.J.; Jiang, W.X.; Fu, L.J.; Ying, W.C. [East China University of Chemical Technology, Shanghai (China)

2007-10-15T23:59:59.000Z

411

Ionic liquid binary mixtures: Promising reaction media for carbohydrate conversion into 5-hydroxymethylfurfural  

Science Journals Connector (OSTI)

Abstract The conversion of carbohydrates into 5-hydroxymethylfurfural (5-HMF) has been studied in binary mixtures of ionic liquids (ILs), using strongly acidic resin Amberlyst 15 as the catalyst. In particular, both mono- and disaccharides, such as fructose, glucose and sucrose have been investigated. Considering the favorable effect exerted by chloride-based ionic liquids in the dissolution of carbohydrates, we used binary mixtures of 1-butyl-3-methylimidazolium chloride ([bmim][Cl]) with [bmim+] based ionic liquids differing in size, shape and coordination ability of the anion ([bmim][BF4], [bmim][N(CF3SO2)2], [bmim][N(CN)2], [bmim][SbF6] and [bmim][CF3SO3]). Carbohydrate conversion in [bmim][BF4]/[bmim][Cl] binary mixtures, has been studied under both magnetic stirring and ultrasound (US) activation. The catalytic system used led to the formation of 5-hydroxymethylfurfural in good yield under mild conditions. A significant influence of IL binary mixture composition on the outcome of the target processes was evidenced. Improvements in both reaction time and temperature have been observed, under US activation.

Francesca D’Anna; Salvatore Marullo; Paola Vitale; Carla Rizzo; Paolo Lo Meo; Renato Noto

2014-01-01T23:59:59.000Z

412

High octane ethers from synthesis gas-derived alcohols. Final technical report, September 25, 1990--December 24, 1993  

SciTech Connect (OSTI)

The objective of the research was to develop the methodology for the catalytic synthesis of ethers, primarily methyl isobutyl ether (MIBE) and methyl tertiary butyl ether (MTBE), directly from alcohol mixtures that are rich in methanol and 2-methyl-1-propanol (isobutanol). The overall scheme involves gasification of coal, purification and shifting of the synthesis gas, higher alcohol synthesis, and direct synthesis of ethers. The last stage of the synthesis involves direct coupling of synthesis gas-derived methanol and isobutanol that has been previously demonstrated by us to occur over superacid catalysts to yield MIBE and smaller amounts of MTBE at moderate pressures and a mixture of methanol and isobutene at low pressures. A wide range of organic resin catalysts and inorganic oxide and zeolite catalysts have been investigated for activity and selectivity in directly coupling alcohols, principally methanol and isobutanol, to form ethers and in the dehydration of isobutanol to isobutene in the presence of methanol. All of these catalysts are strong acids, and it was found that the organic and inorganic catalysts operate in different, but overlapping, temperature ranges, i.e. mainly 60--120{degrees}C for the organic resins and 90--175{degrees}C for the inorganic catalysts. For both types of catalysts, the presence of strong acid centers is required for catalytic activity, as was demonstrated by lack of activity of fully K{sup +} ion exchanged Nafion resin and zirconia prior to being sulfated by treatment with sulfuric acid.

Klier, K.; Herman, R.G.

1994-05-01T23:59:59.000Z

413

Aptamer-Based Microcantilever Sensor for O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothiolate, Sarin Detection and Kinetic Analysis  

Science Journals Connector (OSTI)

Abstract A novel method for O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothiolate (VX), sarin detection and kinetic analysis based on piezoresistive microcantilever aptasensor was proposed, where VX and sarin aptamers were immobilized on the microcantilever surface by biotin-avidin binding system. A linear relationship between the response voltage and the concentration of VX in the range of 2?60 ?g L?1 was obtained, the linear regression equation was ?Ue = 0.886C ? 1.039 (n = 5, R = 0.984, p < 0.001) and the detection limit was 2 ?g L?1 (S/N ?A linear relationship between the response voltage and the concentration of sarin in the range of 10?60 ?g L?1 was obtained, the linear regression equation was ?Ue = 0.716C ? 2.304 (n = 5, R = 0.996, p < 0.001) and the detection limit was 10 ?g L?1 (S/N ?The sensor showed no response for O-butyl methylphosphonochloridate, a structural analog of VX and sarin, indicating a high specificity and good selectivity. On this basis, a reaction kinetic model based on receptor-ligand binding and the relationship with response voltage was established. Response voltage (?Ue) and response time (t0) obtained from the fitting equation on different concentrations of VX and sarin fitted well with the measured values.

Zhi-Wei LIU; Zhao-Yang TONG; Lan-Qun HAO; Bing LIU; Xi-Hui MU; Jin-Ping ZHANG; Chuan GAO

2014-01-01T23:59:59.000Z

414

Chemical analysis and aqueous solution properties of Charged Amphiphilic Block Copolymers PBA-b-PAA synthesized by MADIX  

E-Print Network [OSTI]

We have linked the structural and dynamic properties in aqueous solution of amphiphilic charged diblock copolymers poly(butyl acrylate)-b-poly(acrylic acid), PBA-b-PAA, synthesized by controlled radical polymerization, with the physico-chemical characteristics of the samples. Despite product imperfections, the samples self-assemble in melt and aqueous solutions as predicted by monodisperse microphase separation theory. However, the PBA core are abnormally large; the swelling of PBA cores is not due to AA (the Flory parameter chiPBA/PAA, determined at 0.25, means strong segregation), but to h-PBA homopolymers (content determined by Liquid Chromatography at the Point of Exclusion and Adsorption Transition LC-PEAT). Beside the dominant population of micelles detected by scattering experiments, capillary electrophoresis CE analysis permitted detection of two other populations, one of h-PAA, and the other of free PBA-b-PAA chains, that have very short PBA blocks and never self-assemble. Despite the presence of these free unimers, the self-assembly in solution was found out of equilibrium: the aggregation state is history dependant and no unimer exchange between micelles occurs over months (time-evolution SANS). The high PBA/water interfacial tension, measured at 20 mN/m, prohibits unimer exchange between micelles. PBA-b-PAA solution systems are neither at thermal equilibrium nor completely frozen systems: internal fractionation of individual aggregates can occur.

M. Jacquin; P. Muller; R. Talingting-Pabalan; H. Cottet; J. -F. Berret; T. Futterer; O. Theodoly

2007-08-27T23:59:59.000Z

415

Chemical Analysis and Aqueous Solution Properties of Charged Amphiphilic Block Copolymers PBA-b-PAA Synthesized by MADIX  

SciTech Connect (OSTI)

We have linked the structural and dynamic properties in aqueous solution of amphiphilic charged diblock copolymers poly(butyl acrylate)-b-poly(acrylic acid), PBA-b-PAA, synthesized by controlled radical polymerization, with the physico-chemical characteristics of the samples. Despite product imperfections, the samples self-assemble in melt and aqueous solutions as predicted by monodisperse microphase separation theory. However, the PBA core are abnormally large; the swelling of PBA cores is not due to AA (the Flory parameter ?PBA/PAA, determined at 0.25, means strong segregation), but to h-PBA homopolymers (content determined by liquid chromatography at the point of exclusion and adsorption transition, LC-PEAT). Beside the dominant population of micelles detected by scattering experiments, capillary electrophoresis CE analysis permitted detection of two other populations, one of h-PAA, and the other of free PBA-b-PAA chains, that have very short PBA blocks and never self-assemble. Despite the presence of these free unimers, the self-assembly in solution was found out of equilibrium: the aggregation state is history dependant and no unimer exchange between micelles occurs over months (time-evolution SANS). The high PBA/water interfacial tension, measured at 20 mN/m, prohibits unimer exchange between micelles. PBA-b-PAA solution systems are neither at thermal equilibrium nor completely frozen systems: internal fractionation of individual aggregates can occur.

Jacquin,M.; Muller, P.; Talingting-Pabalan, R.; Cottet, H.; Berret, J.; Futterer, T.; Theodoly, O.

2007-01-01T23:59:59.000Z

416

Use of ethers as high-octane components of gasolines  

SciTech Connect (OSTI)

This article reports on a study of the possible utilization of methyl tert-amyl ether (MTAE) as an automotive gasoline component, both by itself and in combination with methyl tert-butyl ether (MTBE). The naphtha used in these studies consisted of 80% reformer naphtha produced under severe conditions and 20% straight-run IBP-62/sup 0/C cut. The physicochemical properties of the MTAE, the MTBE, and the naphtha base stock are given. It is determined that MTAE, which has a slightly poorer knock resistance than MTBE, is fully equal to MTBE in all other respects and can be used as an automotive gasoline component; that a gasoline blend prepared from 89% naphtha base stock, 5.5% MTAE, and 5.5% MTBE meets all of the requirements of the standard GOST 2084-77 for Grade AI-93 gasoline; and that the use of MTAE offers a means for expanding the resources of high-octane components, lowering the toxicity of the gasolines and the exhaust gas (in comparison with organometallic antiknock agents), and bringing non-petroleum raw materials into the fuel production picture.

Gureev, A.A.; Baranova, G.N.; Korotkov, I.V.; Levinson, G.I.

1984-01-01T23:59:59.000Z

417

Thermodynamics and Kinetics of Carbon Dioxide Binding to Two Stereoisomers  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Binding to Stereoisomers of a Cobalt(I) Macrocycle Binding to Stereoisomers of a Cobalt(I) Macrocycle Carol Creutz, Harold A. Schwarz, James F. Wishart, Etsuko Fujita and Norman Sutin J. Am. Chem. Soc. 113, 3361-3371 (1991) Abstract: The thermodynamics and kinetics of binding of CO2, CO, and H+ to N-racemic and N-meso stereoisomers of the cobalt(I) macrocycle CoL+ (L=5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene) have been determined in aqueous media with use of the pulse radiolysis technique and transient ultraviolet-visible spectroscopy. N-rac or N-meso-CoL+ was produced by the hydrated electron reduction of N-rac or N-meso-CoL2+, with tert-butyl alcohol generally added to scavenge hydroxyl radicals. Reactions of both N-rac- and N-meso CoL+ are readily followed by the disappearance of intense ([epsilon] 1 x 104 M-1 cm-1) absorption bands

418

Total Crude Oil and Petroleum Products Exports  

U.S. Energy Information Administration (EIA) Indexed Site

Exports Exports Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane/Ethylene Propane/Propylene Normal Butane/Butylene Isobutane/Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Motor Gasoline Blend. Comp. (MGBC) MGBC - Reformulated MGBC - Conventional Aviation Gasoline Blend. Comp. Finished Petroleum Products Finished Motor Gasoline Reformulated Gasoline Conventional Gasoline Finished Aviation Gasoline Kerosene-Type Jet Fuel Kerosene Distillate Fuel Oil Distillate F.O., 15 ppm and under Distillate F.O., Greater than 15 to 500 ppm Distillate F.O., Greater than 500 ppm Residual Fuel Oil Naphtha for Petro. Feed. Use Other Oils Petro. Feed. Use Special Naphthas Lubricants Waxes Petroleum Coke Asphalt and Road Oil Miscellaneous Products Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day

419

Corrosion protection by means of rubber linings in a flue gas scrubber made of concrete  

SciTech Connect (OSTI)

Rubber linings have been applied as a corrosion protection measure for steel surfaces, particularly in the absorbers, in the flue gas desulfurization plants of a large number of power stations in Europe and have decidedly proven their effectiveness. The rubber linings applied consist of either precured and/or cold-curing rubber sheets. In the course of the past five to seven years, the eastern European states have also begun retro-fitting their existing power stations with flue gas desulfurization plants. As the first of its kind, a scrubber in the flue gas desulfurization plant of the Konin Power Station in Poland, which operates on the basis of the limestone-gypsum process, was constructed of concrete. In this case also, the corrosion protection measures implemented consisted in the application of a precured rubber lining on the basis of butyl rubber. A surface area measuring 1,500 m{sup 2} of the concrete absorber was protected by means of this corrosion protection system.

Fenner, J.; Matos, A.; Seiffert, W. [Keramchemie GmbH, Siershahn (Germany)

1998-12-31T23:59:59.000Z

420

Substitution of Arginine with Proline and Proline Derivatives in Melanocyte-Stimulating Hormones Leads to Selectivity for Human Melanocortin 4 Receptor  

Science Journals Connector (OSTI)

Abbreviations: Aba, 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one; Ac, acetyl; Ac-NDP-?-MSH-NH2, Ac-Tyr-Val-Nle-Gly-His-d-Phe-Arg-Trp-Asp-Arg-Phe-Gly-NH2; AGRP, agouti related protein; Alloc, allyloxycarbonyl; ASIP, agouti signaling protein; Boc, tert-butoxycarbonyl; Bzl, benzyl; cAMP, cyclic adenosine monophosphate; Cl-HOBt, 6-chloro-1-hydroxybenzotriazole; CNS, central nervous system; DCM, dichloromethane; DIC, 1,3-diisopropylcarbodiimide; DIPEA, N,N-diisopropylethylamine; DMF, N,N-dimethylformamide; DMSO, dimethyl sulfoxide; DNal(2?), 3-(2-naphthyl)-d-alanine; ESI, electrospray ionization; Et2O, diethyl ether; EtOAc, ethyl acetate; FAB, fast atom bombardment; Fmoc, 9-fluorenylmethoxycarbonyl; Fmoc-OSu, N-[(9-fluorenylmethoxycarbonyl)oxy]succinimide; GB/SA, generalized Born/surface area; GPCR, G-protein-coupled receptor; HBTU, 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate; HIV, human immunodeficiency virus; hMC1R, human melanocortin 1 receptor; hMC2R, human melanocortin 2 receptor; hMC3R, human melanocortin 3 receptor; hMC4R, human melanocortin 4 receptor; hMC5R, human melanocortin 5 receptor; HOAt, 1-hydroxy-7-aza-benzotriazole; HOBt, 1-hydroxybenzotriazole; HPLC, high-pressure liquid chromatography; HRMS, high resolution mass spectrometry; Hyp, trans-4-hydroxylproline; IC50, 50% inhibitory concentration; MBHA, 4-methylbenzhydrylamine; ?-MSH, ? melanocyte-stimulating hormone; Nle, l-norleucine; NMR, nuclear magnetic resonance spectroscopy; OPLS, optimized potential for liquid simulations; Pbf, 2,2,4,6,7-pentamethyldihydrobenzofurane-5-sulfonyl; POMC, proopiomelanocortin; PRCG, Polak?Ribier conjugate gradient; rmsd, root-mean-square deviation; RP-HPLC, reverse phase high-pressure liquid chromatography; SAR, structure?activity relationship; SPPS, solid phase peptide synthesis; TFA, trifluoroacetic acid; TIPS, triisopropylsilane; TLC, thin layer chromatography; TMS, tetramethylsilane; Trt, trityl. ... The authors previously described a new conformational search method, termed low-mode search (LMOD), and discussed its utility for conformational searches performed on cycloalkanes and a cyclic penta-peptide. ... In this report, the authors discuss a rigorous implementation of mode following (c-LMOD) for conformational searching, and the authors demonstrate that for a conformational search involving cycloheptadecane, this rigorous implementation is capable of finding all of the previously known structures. ...

Hongchang Qu; Minying Cai; Alexander V. Mayorov; Paolo Grieco; Morgan Zingsheim; Dev Trivedi; Victor J. Hruby

2009-05-27T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
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421

Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H - - - H-N Dihydorgen Bond Characterized by Neutron Diffraction  

SciTech Connect (OSTI)

Use of hydrogen as a fuel by [FeFe]-hydrogenase enzymes in nature requires heterolytic cleavage of the H-H bond into a proton (H+) and hydride (H-), a reaction that is also a critical step in homogeneous catalysts for hydrogenation of C=O and C=N bonds. An understanding of the catalytic oxidation of H2 by hydrogenases provides insights into the design of synthetic catalysts that are sought as cost-effective alternatives to the use of the precious metal platinum in fuel cells. Crystallographic studies on the [FeFe]-hydrogenase enzyme were critical to understanding of its reactivity, but the key H-H cleavage step is not readily observed experimentally in natural hydrogenases. Synthetic biomimics have provided evidence for H2 cleavage leading to hydride transfer to the metal and proton transfer to an amine. Limitations on the precise location of hydrogen atoms by x-ray diffraction can be overcome by use of neutron diffraction, though its use is severely limited by the difficulty of obtaining suitable crystals and by the scarcity of neutron sources. Here we show that an iron complex with a pendant amine in the diphosphine ligand cleaves hydrogen heterolytically under mild conditions, leading to [CpC5F4NFeH(PtBu2NtBu2H)]+BArF4-, [PtBu2NtBu2 = 1,5-di(tert-butyl)-3,7-di(tert-butyl)-1,5-diaza-3,7-diphosphacyclooctane; ArF = 3,5-bis(trifluoromethyl)phenyl]. The Fe-H- - - H-N moiety has a strong dihydrogen bond, with a remarkably short H • • • H distance of 1.489(10) Å between the protic N-H?+ and hydridic Fe-H?-. The structural data for [CpC5F4NFeH(PtBu2NtBu2H)]+ provide a glimpse of how the H-H bond is oxidized or generated in hydrogenase enzymes, with the pendant amine playing a key role as a proton relay. The iron complex [CpC5F4NFeH(PtBu2NtBu2H)]+BArF4- is an electrocatalyst for oxidation of H2 (1 atm) at 22 °C, so the structural data are obtained on a complex that is a functional model for catalysis by [FeFe]-hydrogenase enzymes. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Liu, Tianbiao L.; Wang, Xiaoping; Hoffmann, Christina; DuBois, Daniel L.; Bullock, R. Morris

2014-05-19T23:59:59.000Z

422

Chemical Shuttle Additives in Lithium Ion Batteries  

SciTech Connect (OSTI)

The goals of this program were to discover and implement a redox shuttle that is compatible with large format lithium ion cells utilizing LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} (NMC) cathode material and to understand the mechanism of redox shuttle action. Many redox shuttles, both commercially available and experimental, were tested and much fundamental information regarding the mechanism of redox shuttle action was discovered. In particular, studies surrounding the mechanism of the reduction of the oxidized redox shuttle at the carbon anode surface were particularly revealing. The initial redox shuttle candidate, namely 2-(pentafluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole (BDB) supplied by Argonne National Laboratory (ANL, Lemont, Illinois), did not effectively protect cells containing NMC cathodes from overcharge. The ANL-RS2 redox shuttle molecule, namely 1,4-bis(2-methoxyethoxy)-2,5-di-tert-butyl-benzene, which is a derivative of the commercially successful redox shuttle 2,5-di-tert-butyl-1,4-dimethoxybenzene (DDB, 3M, St. Paul, Minnesota), is an effective redox shuttle for cells employing LiFePO{sub 4} (LFP) cathode material. The main advantage of ANL-RS2 over DDB is its larger solubility in electrolyte; however, ANL-RS2 is not as stable as DDB. This shuttle also may be effectively used to rebalance cells in strings that utilize LFP cathodes. The shuttle is compatible with both LTO and graphite anode materials although the cell with graphite degrades faster than the cell with LTO, possibly because of a reaction with the SEI layer. The degradation products of redox shuttle ANL-RS2 were positively identified. Commercially available redox shuttles Li{sub 2}B{sub 12}F{sub 12} (Air Products, Allentown, Pennsylvania and Showa Denko, Japan) and DDB were evaluated and were found to be stable and effective redox shuttles at low C-rates. The Li{sub 2}B{sub 12}F{sub 12} is suitable for lithium ion cells utilizing a high voltage cathode (potential that is higher than NMC) and the DDB is useful for lithium ion cells with LFP cathodes (potential that is lower than NMC). A 4.5 V class redox shuttle provided by Argonne National Laboratory was evaluated which provides a few cycles of overcharge protection for lithium ion cells containing NMC cathodes but it is not stable enough for consideration. Thus, a redox shuttle with an appropriate redox potential and sufficient chemical and electrochemical stability for commercial use in larger format lithium ion cells with NMC cathodes was not found. Molecular imprinting of the redox shuttle molecule during solid electrolyte interphase (SEI) layer formation likely contributes to the successful reduction of oxidized redox shuttle species at carbon anodes. This helps to understand how a carbon anode covered with an SEI layer, that is supposed to be electrically insulating, can reduce the oxidized form of a redox shuttle.

Patterson, Mary

2013-03-31T23:59:59.000Z

423

Sorption of organic gases in a furnished room  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

a furnished room a furnished room Title Sorption of organic gases in a furnished room Publication Type Journal Article LBNL Report Number LBNL-53943 Year of Publication 2004 Authors Singer, Brett C., Kenneth L. Revzan, Toshifumi Hotchi, Alfred T. Hodgson, and Nancy J. Brown Journal Atmospheric Environment Volume 38 Start Page Chapter Issue 16 Pagination 2483-2494 Abstract We present experimental data and semi-empirical models describing the sorption of organic gases in a simulated indoor residential environment. Two replicate experiments were conducted with 20 volatile organic compounds (VOCs) in a 50-m3 room finished with painted wallboard, carpet and cushion, draperies and furnishings. The VOCs span a wide volatility range and include ten Hazardous Air Pollutants. VOCs were introduced to the static chamber as a pulse and their gas-phase concentrations were measured during a net adsorption period and a subsequent net desorption period. Three sorption models were fit to the measured concentrations for each compound to determine the simplest formulation needed to adequately describe the observed behavior. Sorption parameter values were determined by fitting the models to adsorption period data then checked by comparing measured and predicted behavior during desorption. The adequacy of each model was evaluated using a goodness of fit parameter calculated for each period. Results indicate that sorption usually does not greatly affect indoor concentrations of methyl-tert-butyl ether, 2-butanone, isoprene and benzene. In contrast, sorption appears to be a relevant indoor process for many of the VOCs studied, including C8-C10 aromatic hydrocarbons (HC), terpenes, and pyridine. These compounds sorbed at rates close to typical residential air change rates and exhibited substantial sorptive partitioning at equilibrium. Polycyclic aromatic HCs, aromatic alcohols, ethenylpyridine and nicotine initially adsorbed to surfaces at rates of 1.5 to >6 h-1 and partitioned 95 to >99% in the sorbed phase at equilibrium

424

Odorization system upgrades gas utility`s pipelines  

SciTech Connect (OSTI)

Mountain Fuel Supply Co., a subsidiary of Questar Corp., salt Lake City, is a natural gas holding company with $1.6 billion in assets. From 1929 to 1984, Mountain Fuel Supply Co. owned and operated many natural gas wells, gathering systems, and transmission pipelines to serve its Utah and Wyoming customers. Gas is odorized at convenient points on the transmission lines and at each downstream location where unodorized gas entered the system. Since 40 to 60% of the gas delivered to the company`s customers passes through Coalville Station, it was vital that a reliable, state-of-the-art odorant station be constructed at this site. Construction began during the summer of 1994 and the system came on line Sept. 1, 1994. The station odorized 435 MMcfd with 330 lbs. of odorant during last winter`s peak day, a mild winter. Mountain Fuel is subject to Department of Transportation (DOT) codes which mandate that gas be readily detectable at one fifth the lower explosive limit (LEL), or about 1% gas in air. However, the company strives to maintain a readily detectable odor at 0.25% of gas in air as measured by odormeter tests throughout the distribution system. Experience has shown that maintaining an odorant injection rate of 0.75 lbs/MMcf provides adequate odor levels. A blend of odorant consisting of 50% tertiary butyl mercaptan (TBM) and 50% tetrahydrothiophene (THT) was used for many years by Questar Pipeline. Presently, it is used at all Mountain Fuel stations. This paper reviews the design and operation of this odorization station.

Niebergall, B. [Mountain Fuel Supply, Salt Lake City, UT (United States)

1995-07-01T23:59:59.000Z

425

Chemicals for enhanced oil recovery. Quarterly report, 1 July 1979-30 September 1979  

SciTech Connect (OSTI)

In work on biopolymers, emphasis was on methods of biomass separation from fermentation broth adaptable to field production. A microstrainer is a gravity filter screen mounted on a rotating drum, with feed introduced into the center. A microstrainer pilot unit was tested with the broth from two 300 liter batch fermentations. Screen apertures of 1, 6, and 21..mu..m were evaluated. Biopolymer appeared to pass through the screen in all cases, except for some rejection in a second-stage polishing with a 1..mu..m screen of 21..mu..m effluent. Removal of 80% or more of biomass was attained in most cases. Analysis of results of these runs is continuing, but it appears that microscreens can be useful as an element in biopolymer separation. The filtrate should be much more easily freed of plugging components, even if no suitable alternative to diatomaceous earth filtration is found. Modifications of spinning-drop equipment, particularly temperature control, and procedures have improved consistency of results. With better pH control by substitution of Na/sub 2/CO/sub 3/-NaHCO/sub 3/ for part of the NaCl, the preferred alkane for minimum interfacial tension for systems containing sodium-2-ethyl oleate, 0.5 M Na/sup +/, 5% i-butyl alcohol (pH 9.8), and a hydrocarbon was octane, about one carbon number lower than reported last quarter. Results between heptane and decane were consistent with the triangular inequality rule for interfacial tensions.The increase in fraction of total volume in middle phases caused by substitution of ethoxylated tall oils for part of a petroleum sulfonate surfactant was confirmed. Preliminary conductivity measurements of solutions of sodium p(1-heptylnonyl)benzenesulfonate (Texas No. 1) at 45 C suggest a critical micelle concentration of about 7 x 10/sup -4/M.

Compere, A.L.; Crenshaw, J.M.; Greene, S.V.

1980-05-01T23:59:59.000Z

426

Safe handling of TBP and nitrates in the nuclear process industry  

SciTech Connect (OSTI)

A laboratory and literature study was made of the reactions of tri-n-butyl phosphate (TBP) with nitric acid and nitrates. Its goal was to establish safe conditions for solvent extraction processes involving these chemicals. The damaging explosions at the Tomsk-7 PUREX plant in Russia graphically illustrated the potential hazard involved in such operations. The study has involved a review of prior and contemporary experiments, and new experiments to answer particular questions about these reactions. TBP extracts nitric acid and some metal nitrates from aqueous solutions. The resulting liquid contains both oxidant and reductant, and can react exothermically if heated sufficiently. Safe handling of these potentially reactive materials involves not only limiting the heat generated by the chemical reaction, but also providing adequate heat removal and venting. Specifically, the following recommendations are made to ensure safety: (1) tanks in which TBP-nitrate complexes are or may be present should be adequately vented to avoid pressurization. Data are supplied as a basis for adequacy; (2) chemically degraded TBP, or TBP that has sat a long time in the presence of acids or radiation, should be purified before use in solvent extraction; (3) evaporators in which TBP might be introduced should be operated at a controlled temperature, and their TBP content should be limited; (4) evaporator bottoms that may contain TBP should be cooled under conditions that ensure heat removal. Finally, process design should consider the potential for such reactions, and operators should be made aware of this potential, so that it is considered during training and process operation.

Hyder, M.L.

1994-07-01T23:59:59.000Z

427

Characterization of Ce SUP 3+-tributyl phosphate coordination complexes produced by fused droplet electrospray ionization with a target capillary  

SciTech Connect (OSTI)

Coordination complexes containing Ce(III) and tri-n-butyl phosphate (TBP) in the 1+, 2+ and 3+ charge states were generated using desorption electrospray ionization (DESI) mass spectrometry, in which the analyte solutions were supplied via a target capillary orthogonally situated with respect to the electrospray. Comparison with direct electrospray (ESI) showed that the same coordination complexes were produced in each experiment, and could be described by the general formula [Ce(NO3)m=0-2(TBP)n](3-m)+. This result indicates that DESI has utility for measuring metal speciation for metal ligand solutions where the gas-phase complexes generated by ESI have been correlated with solution speciation. Such an application would be useful for analyses where it is desirable to limit the total amount of metal being handled, or that have solvent systems that are not readily amenable to ESI. Both the direct ESI and DESI mass spectra showed similar trends with respect to the TBP:Ce ratio, viz. high values tend to favor formation of a larger fraction of the 1+ species, and the 2+ and 3+ species become relatively more important as the ratio is decreased. Within individual charge state ion envelopes, lower TBP:Ce ratios produce coordination complexes with fewer ligands, a trend also seen using both approaches. These trends again point toward strong similarity between the direct ESI and DESI analyses of the metal-ligand solutions. The DESI experiments were less sensitive for measuring the coordination complexes compared to the direct ESI experiments, by a factor of 10 - 100 depending on whether minimum detectable concentration or absolute ion abundances were considered. Nevertheless, mid-picomolar quantities of coordination complexes were measured using the target capillary, indicating that sensitivity would be sufficient for measuring species in many industrial separations processes.

Gary S. Groenewold; Jean-Jacques Gaumet

2011-12-01T23:59:59.000Z

428

Chemical compatibility screening test results  

SciTech Connect (OSTI)

A program for evaluating packaging components that may be used in transporting mixed-waste forms has been developed and the first phase has been completed. This effort involved the screening of ten plastic materials in four simulant mixed-waste types. These plastics were butadiene-acrylonitrile copolymer rubber, cross-linked polyethylene (XLPE), epichlorohydrin rubber, ethylene-propylene rubber (EPDM), fluorocarbon (Viton or Kel-F), polytetrafluoroethylene, high-density polyethylene (HDPE), isobutylene-isoprene copolymer rubber (butyl), polypropylene, and styrene-butadiene rubber (SBR). The selected simulant mixed wastes were (1) an aqueous alkaline mixture of sodium nitrate and sodium nitrite; (2) a chlorinated hydrocarbon mixture; (3) a simulant liquid scintillation fluid; and (4) a mixture of ketones. The testing protocol involved exposing the respective materials to 286,000 rads of gamma radiation followed by 14-day exposures to the waste types at 60{degrees}C. The seal materials were tested using vapor transport rate (VTR) measurements while the liner materials were tested using specific gravity as a metric. For these tests, a screening criterion of 0.9 g/hr/m{sup 2} for VTR and a specific gravity change of 10% was used. Based on this work, it was concluded that while all seal materials passed exposure to the aqueous simulant mixed waste, EPDM and SBR had the lowest VTRs. In the chlorinated hydrocarbon simulant mixed waste, only Viton passed the screening tests. In both the simulant scintillation fluid mixed waste and the ketone mixture simulant mixed waste, none of the seal materials met the screening criteria. For specific gravity testing of liner materials, the data showed that while all materials with the exception of polypropylene passed the screening criteria, Kel-F, HDPE, and XLPE offered the greatest resistance to the combination of radiation and chemicals.

Nigrey, P.J.; Dickens, T.G.

1997-12-01T23:59:59.000Z

429

Polyamide woven fabrics with 2,3,5-triphenyltetrazolium chloride or nitro blue tetrazolium chloride as 2D ionizing radiation dosimeters  

Science Journals Connector (OSTI)

The development of flat woven fabric-based ionizing radiation 2D dosimeters is reported in this work. Polyamide fabric was surface modified with radiation-sensitive 2,3,5-triphenyltetrazolium chloride (TTC) or nitro blue tetrazolium chloride (NBT). These samples responded to gamma radiation of 60Co through a colour change: red and blue for TTC and NBT, respectively. The tinge intensity was observed to depend on the absorbed dose, which allowed for the reflectance of light (R) measurements and calculation of the calibration parameters: dose range, quasi-linear range, threshold dose and sensitivity. Oxygen was shown to be an important factor determining the dose response of the samples. For this reason, a range of additional modifications to the TTC- and NBT-polyamide fabric was proposed which lead to a decrease in the threshold dose and increase in the sensitivity to irradiation of the samples. For instance, a dosimeter made of polyamide fabric modified with 10 g/dm3 TTC, 0.5 mol/dm3 tert-butyl alcohol, 7.5% gelatine hydrogel at pH 10 (vacuum packed) showed the lowest dose threshold (50 Gy), dose range up to 2.8 kGy and the highest sensitivity to irradiation (?0.0396%/Gy) among the compositions studied. In consequence, this dosimeter was examined in terms of response to inhomogeneous irradiation from a 192Ir brachytherapy radiation source. The relative dose distribution profiles across the source's longitudinal axis were calculated. This showed potential of the textile dosimeters for 2D dose distribution measurements; however, further modifications towards improvement of the dosimeter's low dose response can be considered.

M. Kozicki; E. S?siadek

2012-01-01T23:59:59.000Z

430

Solvent Effects on Metal Complexation with Crown Ethers from Liquid to Supercritical Fluids (DE-FG07-98ER 149 13)  

SciTech Connect (OSTI)

The purpose of this project is to study the salvation effects of metal-crown ether complexation in different solvents. It has been suggested in the literature that supercritical fluid carbon dioxide (SF-CO2) is a tunable solvent because its salvation environment can be varied with the fluid density. In this project, spectroscopic techniques including nuclear magnetic resonance (NMR) and Fourier Transform Infrared (FTIR) were used to evaluate salvation effects of metal crown complexation in organic solvents and in SF-CO2. In most solvent extraction systems, water is often involved in the extraction processes. We have carried out extensive studies of water-crown ether interactions in different solvents and in SF-CO2 using NMR and FTIR techniques. Water molecules can be attached to crown ethers through hydrogen bonding of H-0-H to the oxygen atoms of crown ether cavities. This type of interaction is like a Lewis acid-Lewis base complexation. During the course of this project, we noticed that some CO2 soluble Lewis base such as tri-n-butyl-phosphate (TBP) can also form such Lewis acid-Lewis base complexes with water and other inorganic acids including nitric acid and hydrochloric acid. Inorganic acids (e.g. nitric acid) are normally not soluble in SF-CO2. However, because TBP is highly soluble in SF-CO2, an inorganic acid bound to TBP via hydrogen bonding becomes CO2 soluble. This Lewis acid-Lewis base complex approach provides a method of introducing inorganic acids into supercritical fluid CO2 for chemical reactions.

Wai, C.M.

2002-06-01T23:59:59.000Z

431

Studies on the in situ electrooxidation and selective permeation of cerium(IV) across a bulk liquid membrane containing tributyl phosphate as the ion transporter  

SciTech Connect (OSTI)

The results of experiments carried out to develop a liquid membrane (LM) technique for the extractive permeation of cerium from nitric acid solutions are described. In-situ electrooxidation of Ce{sup 3+} to extractable Ce{sup 4+} and its transport across bulk LM (BLM) composed of tri-n-butyl phosphate (TBP)/dodecane mixtures was systematically studied under varied hydrodynamical and chemical conditions. The permeability of metal ions across the BLM was dependent on the efficiency of extraction, ionic activity of feed solutions, stirring rate, composition of the receiving phase, etc. The transport rates were found to vary linearly (a log-log correlation) with the cation concentration in feed solutions and concentration of TBP in BLM. A permeation velocity equation for cerium ion through the membrane has been proposed. More than 90% permeation of Ce with a maximum flux of 8.63 x 10{sup {minus}5} mol/m{sup 2}/s could be accomplished under the experimental conditions: stirring rates at feed and strip solutions were 380 and 300 rpm, respectively; feed was 1 mol/dm{sup 3} of HNO{sub 3} containing 0.005 mol/dm{sup 3} Ce(NO{sub 3}){sub 3}; LM contained 30% TBP/dodecane; and the receiving phase was distilled water. Radiochemically pure Ce-144 was partitioned from the Ce-Am mixture obtained by extraction chromatographic fractioning of high level radioactive waste. This also resulted in the purification of Am-241 in the feed solution with a decontamination factor of {approximately} 12 from Ce.

Kedari, C.S.; Pandit, S.S.; Ramanujam, A. [Bhabha Atomic Research Centre, Trombay (India). Fuel Reprocessing Div.] [Bhabha Atomic Research Centre, Trombay (India). Fuel Reprocessing Div.

1999-06-01T23:59:59.000Z

432

Thermal and electrochemical properties of PEO-LiTFSI-Pyr14TFSI-based composite cathodes, incorporating 4 V-class cathode active materials  

Science Journals Connector (OSTI)

Abstract Poly(ethylene oxide)-lithium bis(trifluoromethanesulfonyl)imide N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide (PEO-LiTFSI-Pyr14TFSI)-based 4 V-class composite cathodes, incorporating either Li(Ni1/3Co1/3Mn1/3)O2 or Li(Ni0.8Co0.15Al0.05)O2 were prepared by a hot-pressing process and successively investigated in terms of their morphological, thermal, and electrochemical properties. Thereby, excellent mechanical and thermal properties could be demonstrated for all composite cathodes. The electrochemical performance of truly dry all-solid-state Li/P(EO)10LiTFSI-(Pyr14TFSI)2/composite cathode batteries at temperatures as low as 40 °C revealed high delivered capacities. However, in comparison with LiFePO4, the 4 V-class composite cathodes also indicated much lower capacity retention. In-depth investigations on the interfacial properties of Li(Ni0.8Co0.15Al0.05)O2 composite cathodes revealed a strong dependence on the anodic cut-off potential and the presence of current flow through the cell, whereby different degradation mechanisms could be characterized upon cycling, according to which the finite growth of a surface films at both electrode/polymer electrolyte interfaces inhibited continuous decomposition of the polymer electrolyte even at potentials as high as 4.3 V. Moreover, the presence of Pyr14TFSI in the 4 V-class composite cathodes sustainably reduced the cathode interfacial resistance and presumably diminished the corrosion of the aluminum current collector.

Morten Wetjen; Guk-Tae Kim; Mario Joost; Giovanni B. Appetecchi; Martin Winter; Stefano Passerini

2014-01-01T23:59:59.000Z

433

Direct electrochemistry of glucose oxidase entrapped in nano gold particles-ionic liquid-N,N-dimethylformamide composite film on glassy carbon electrode and glucose sensing  

Science Journals Connector (OSTI)

The direct electrochemistry of glucose oxidase (GOD) entrapped in nano gold particles (NAs)-N,N-dimethylformamide (DMF)-1-butyl-3-methylimidazolium hexafluophosphate (BMIMPF6) composite film on a glassy carbon electrode (NAs-DMF-GOD (BMIMPF6)/GC) has been investigated for first time. The immobilized GOD exhibits a pair of well-defined reversible peaks in 0.050 M pH 5 phosphate solutions (PS), resulting from the redox of flavin adenine dinucleotide (FAD) in GOD. The peak currents are three times as large as those of GOD-NAs-DMF film coated GC electrode (i.e. NAs-DMF-GOD (water)/GC). In addition, the NAs-DMF-GOD (BMIMPF6) composite material has higher thermal stability than NAs-DMF-GOD (water). Results show that ionic liquid BMIMPF6, DMF and \\{NAs\\} are requisite for GOD to exhibit a pair of stable and reversible peaks. Without any of them, the peaks of GOD become small and unstable. Upon the addition of glucose, the peak currents of GOD decrease and a new cathodic peak occurs at ?0.8 V (versus SCE), which corresponds to the reduction of hydrogen peroxide (H2O2) generated by the catalytic oxidation of glucose. The peak current of the new cathodic peak and the glucose concentration show a linear relationship in the ranges of 1.0 × 10?7 to 1.0 × 10?6 M and 2.0 × 10?6 to 2.0 × 10?5 M. The kinetic parameter Imax of H2O2 is estimated to be 1.19 × 10?6 A and the apparent Km (Michaelis–Menten constant) for the enzymatic reaction is 3.49 ?M. This method has been successfully applied to the determination of glucose in human plasma and beer samples, and the average recoveries are 97.2% and 99%, respectively.

Jiangwen Li; Jingjing Yu; Faqiong Zhao; Baizhao Zeng

2007-01-01T23:59:59.000Z

434

Volatile organic chemical emissions from carpets. Final report  

SciTech Connect (OSTI)

The primary objective of this research, was to measure the emission rates of selected individual VOC, including low molecular-weight aldehydes, released by samples of four new carpets that are typical of the major types of carpets used in residences, schools and offices. The carpet samples were collected directly from the manufacturers` mills and packaged to preserve their chemical integrity. The measurements of the concentrations and emission rates of these compounds were made under simulated indoor conditions in a 20-M{sup 3} environmental chamber designed specifically for investigations of VOC. The measurements were conducted over a period of one week following the installation of the carpet samples in the chamber. Duplicate experiments were conducted for one carpet. In addition, the concentrations and emission rates of VOC resulting from the installation of a new carpet in a residence were measured over a period of seven weeks. The stabilities of the week-long ventilation rates and temperatures were one percent relative standard deviation. The four carpets emitted a variety of VOC, 40 of which were positively identified. Eight of these were considered to be dominant. They were (in order of chromatographic retention time) formaldehyde, vinyl acetate, 2,2,4-trimethylpentane (isooctane), 1,2-propanediol (propylene glycol), styrene, 2-ethyl-l-hexanol, 4-phenylcyclohexene (4-PCH), and 2,6 di-tert-butyl-4-methylphenol (BHT). With the exception of formaldehyde, only limited data are available on the toxicity and irritancy of these compounds at low concentrations. Therefore, it is difficult to determine at this time the potential magnitude of the health and comfort effects that may occur among the population from exposures to emissions from new carpets. The concentrations and emission rates of most compounds decreased rapidly over the first 12 h of the experiments.

Hodgson, A.T.; Wooley, J.D.; Daisey, J.M.

1992-04-01T23:59:59.000Z

435

Influence of relaxation transitions on radiation-initiated cationic graft polymerization. [Gamma radiation  

SciTech Connect (OSTI)

Radiation grafting of vinyl n-butyl ether (VBE) to polyvinyl chloride (PVC) over a broad temperature range was investigated. The relaxation transitions in the PVC/VBE system were also determined. Grafting of vinyl alkyl ethers proceeds entirely by a cationic mechanism in a reaction medium that has been dried to a water concentration no greater than 0.1-1.0 ppm. In this connection, the diffusion properties of water in the temperature region were studied. Commercial films of unplasticized PVC (thickness 200 M); were subjected to swelling in two systems: in a 50% solution of VBE in benzene at 25/sup 0/C, and in the pure monomer at 40/sup 0/C. The reaction mixtures were first dried over metallic sodium in a deaerated atmosphere. The specimens were irradiated in a Co gamma-radiation unit to a dose of 10 kGy at a dose rate of 3 Gy/sec. The first reaction mixture was investigated over a range of temperatures from -60/sup 0/ to +70/sup 0/C, and the second from -15/sup 0/ to +50/sup 0/C. The degree of grafting was determined from the increase in weight of the original ungrafted film. The temperature was held to within +/-1/sup 0/C. The relaxation transitions in the swollen polymer systems were determined by two methods, thermostimulated current (TSC) and thermomechanics (TM). It was found that in the region of the glass transition of a swollen PVC-VBE system, radiation-initiated cationic graft polymerization proceeds at a maximal rate, and there are changes in state of the water molecules (the agents of breaking the ion reaction chain) and in their diffusion properties within the matrix.

Kudryavtsev, V.N.; Kabanov, V.Ya.; Chalykh, A.E.; Spitsyn, V.I.

1982-05-01T23:59:59.000Z

436

Responsive copolymers for enhanced petroleum recovery. Second annual report  

SciTech Connect (OSTI)

The authors describe second year efforts in synthesis, characterization, and rheology to develop polymers with significantly improved efficiency in mobility control and conformance. These advanced polymer systems would maintain high viscosities or behave as virtual gels under low shear conditions and at elevated electrolyte concentrations. At high fluid shear rates, associates would deaggregate yielding low viscosity solutions, reducing problems of shear degradation or face plugging during injection. Polymeric surfactants were also developed with potential for use in higher salt, higher temperature reservoirs for mobilization of entrapped oil. Chapters include: Ampholytic terpolymers of acrylamide with sodium 3-acrylamido-3-methylbutanoate and 2-acrylamido-2-methylpropanetrimethylammonium chloride; Hydrophilic sulfobetaine copolymers of acrylamide and 3-(2-acrylamido-methylpropane-dimethylammonio)-1-propanesulfonate; Copolymerization of maleic anhydride and N-vinylformamide; Reactivity ratio of N-vinylformamide with acrylamide, sodium acrylate, and n-butyl acrylate; Effect of the distribution of the hydrophobic cationic monomer dimethyldodecyl(2-acrylamidoethyl)ammonium bromide on the solution behavior of associating acrylamide copolymers; Effect of surfactants on the solution properties of amphipathic copolymers of acrylamide and N,N-dimethyl-N-dodecyl-N-(2-acrylamidoethyl)ammonium bromide; Associative interactions and photophysical behavior of amphiphilic terpolymers prepared by modification of maleic anhydride/ethyl vinyl ether copolymers; Copolymer compositions of high-molecular-weight functional acrylamido water-soluble polymers using direct-polarization magic-angle spinning {sup 13}C NMR; Use of factorial experimental design in static and dynamic light scattering characterization of water soluble polymers; and Porous medium elongational rheometer studies of NaAMB/AM copolymer solutions.

McCormick, C.; Hester, R.

1995-05-01T23:59:59.000Z

437

Mechamisms of gas permeation through polymer membranes. Progress report, July 1, 1982-May 31, 1983  

SciTech Connect (OSTI)

The main objective of this study is to assess the validity of a free-volume model of gas permeation through rubbery polymer membranes. Such information is of importance for the development of new membrane processes for the separation of gas mixtures. Steady-state permeability coefficients for N/sub 2/O in polyethylene between 20 and 50/sup 0/C and at pressures up to 15 atm were found to be 45% higher (on the average) than values predicted by the free-volume model. The difference between the experimental and theoretical permeability coefficients for N/sub 2/O is about twice as large as observed with many other gases in polyethylene. Permeability, diffusion time-lags, and absorption measurements were made with n-C/sub 4/H/sub 10/ in poly(eta-butyl methacrylate) at 30/sup 0/C and subatmospheric pressures. The experimental time-lags agreed satisfactorily with values predicted by the free-volume model, using model parameters obtained from gas absorption measurements. However, the experimental permeability coefficients were substantially higher than the theoretical values. This may be due to a non-Fickian transport component because the measurements were made at only 3/sup 0/C above the glass transition temperature of the polymer. This study was recently extended to the solution and transport of gases and vapors in glassy polymers. Satisfactory agreement between experiment and theory was found for the solution, permeation, and diffusion of acetone, benzene, and methanol in ethyl cellulose and water vapor in poly(acrylonitrile) and for the solution of vinyl chloride monomer in poly(vinyl chloride). A generalized model of transport of small molecules in polymers has been developed. The model incorporates free-volume and dual-mode sorption concepts, and should be applicable both to rubbery and glassy polymers.

Stern, S.A.; Mauze, G.R.; Sampat, S.R.

1983-05-01T23:59:59.000Z

438

LOW POWER UPCONVERSION FOR SOLAR FUELS PHOTOCHEMISTRY  

SciTech Connect (OSTI)

Earth abundant copper(I) diimine complexes represent a renewable and economically feasible alternative to commonly used heavy metal containing chromophores. In the metal-to-ligand charge transfer (MLCT) excited state, copper(I) diimine complexes typically undergo a significant structural rearrangement, leading to molecules with large Stokes shifts and very short excited state lifetimes, thereby limiting their usefulness as sensitizers in bimolecular electron and triplet energy transfer reactions. Strategically placed bulky substituents on the coordinating phenanthroline ligands have proven useful in restricting the transiently produced excited state Jahn-Teller distortion, leading to longer-lived excited states. By combining bulky sec-butyl groups in the 2- and 9- positions with methyl groups in the 3-,4-, 7-, and 8- positions, a remarkably long-lived (2.8 ?s in DCM) copper(I) bis-phenanthroline complex, [Cu(dsbtmp)2]+, has been synthesized and characterized. Unlike other copper(I) diimine complexes, [Cu(dsbtmp)2]+ also retains a ?s lifetime in coordinating solvents such as acetonitrile and water as a result of the cooperative sterics inherent in the molecular design. Preliminary results on the use of this complex in hydrogen-forming homogeneous photocatalysis is presented. Photon upconversion based on sensitized triplet-triplet annihilation (TTA) represents a photochemical means to generate high-energy photons (or high-energy chemical products) from low-energy excitation, having potential applications in solar energy conversion and solar fuels producing devices. For the first time, synthetically facile and earth abundant Cu(I) MLCT sensitizers have been successfully incorporated into two distinct photochemical upconversion schemes, affording both red-to-green and orange-to-blue wavelength conversions. Preliminary results on aqueous-based photochemical upconversion as well as intramolecular Sn(IV) porphyrins containing axially coordinated aromatic hydrocarbon chromophores poised for upconversion photochemistry are also presented.

Castellano, Felix N. [Bowling Green State University

2013-08-05T23:59:59.000Z

439

Nanostructured epoxies based on the self-assembly of block copolymers: a new miscible block that can be tailored to different epoxy formulations  

E-Print Network [OSTI]

Nanostructured thermosets may be obtained by self-assembly of amphiphilic block copolymers in a reactive solvent and fixation of the morphologies by the cross-linking reaction. Nanostructuration requires the presence of a bock that remains miscible in the polymer during polymerization. The selection of the miscible block depends on the particular system and in some cases (e.g., for epoxy-amine network based on diglycidyl ether of bisphenol A, and 4,4'- diaminodiphenylsulfone) it is very difficult to find such a block. In this manuscript it is shown that random copolymers of methyl methacrylate (MMA) and N,N-dimethylacrylamide (DMA) containing different molar fractions of DMA, can be used as a miscible block for the nanostructuration of epoxies. The miscibility of the random copolymer during formation of the epoxy network was first analyzed determining cloud-point conversions as a function of the molar fraction of DMA in the copolymer. A thermodynamic model of the phase separation was performed using the Flory-Huggins model and taking the polydispersities of both polymers into account. A single expression of the interaction parameter based on the theory of random copolymers provided a reasonable fitting of the experimental cloud-point curves. The significant increase in the miscibility produced by using small DMA molar fractions in the copolymer was explained by the high negative value of the binary interaction energy between DMA and the epoxy-amine solvent, associated to the positive value of the interaction energy between DMA and MMA units. Block copolymers with poly(n-butyl acrylate) as the immiscible block and the random copolymer P(MMA-co-DMA) as the miscible block were used for the nanostructuration of epoxy networks. The necessary molar fraction of DMA in the miscible block to stabilize a dispersion of nanosize domains depended on the fraction of the immiscible block.

S. Maiez-Tribut; J. P. Pascault; E. R. Soule; J. Borrajo; R. J. J. Williams

2013-11-21T23:59:59.000Z

440

Experimental Investigations of an IC Engine Operating with Alkyl Esters of Jatropha, Karanja and Castor Seed Oil  

Science Journals Connector (OSTI)

Abstract Diesel engines are efficient systems popularly used to meet electricity and other power requirements for agriculture, industry, transportation and decentralized power generation. Vegetable oils can be successfully used in Compression Ignition (CI) engine either through engine modifications or fuel modifications, later being more feasible option. Fuel modification options include blending of vegetable oils with mineral diesel, transesterification, cracking/pyrolysis, micro-emulsion, and hydrogenation to reduce polymerization and viscosity, transesterification of vegetable oil with a short chain alcohol i.e. methanol or ethanol being most popular. Several non-edible plant oils have been found to be promising crude oils for the production of biodiesel. Methanol is most commonly used in commercial production of biodiesel. Fatty acid alkyl esters (FAAE) produced from higher alcohols is of interest as they may have different fuel properties in comparison to methyl or ethyl esters. In the present investigations, preparation of methanol, ethanol, propanol and butanol were used for formation of alkyl esters of Jatropha, Karanja and Castor. The composition of Jatropha, Karanja and Castor oil were analysed and alcoholysis process for preparing alkyl esters of Jatropha, Karanja and Castor oil with various alcohols was optimised. Alkyl ester-diesel blends were used to test the diesel engine at different load conditions and extensive performance and emissions studies were conducted in single cylinder direct injection compression ignition engines. It is concluded that lower blends of ethyl, propyl and butyl esters of Jatropha and Karanja feedstock have physico-chemical properties similar to methyl esters. However, deviation from the properties became larger for higher blending ratio. Therefore, in order to get engine performance in close range of diesel, the optimum blending ratio of higher alkyl esters need to be even less than methyl esters. Lower blends of higher alkyl esters are expected to give engine characteristics in close proximity to diesel overcoming the limitations of bio-diesel, while retaining the advantages.

Sanjay Bajpai; Lalit Mohan Das

2014-01-01T23:59:59.000Z

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441

Zeolite-promoted transformation of glucose into 5-hydroxymethylfurfural in ionic liquid  

Science Journals Connector (OSTI)

Abstract A variety of zeolite catalysts were investigated for the conversion of glucose into 5-hydroxymethylfurfural (HMF) in ionic liquid 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), and the results revealed that H?-zeolite with a unique BEA structure and a moderate Si/Al ratio of 25 possessed the highest catalytic activity, which resulted in 50.3% HMF yield with 80.6% glucose conversion at a reaction temperature of 150 °C for only 50 min. In the presence of H?-zeolite (Si/Al = 25) and [BMIM]Cl, the reaction kinetics for the conversion of glucose into HMF was studied and determined to be in accordance with a first-order reaction rate equation, and the activation energy and pre-exponential factor were 97.4 kJ mol?1 and 2.2 × 1010 min?1, respectively. Moreover, a plausible mechanism involving the isomerization of glucose into fructose followed by the dehydration of fructose into HMF was proposed on the basis of the synergistic catalytic effect between Lewis acid sites and Brønsted acid sites of H?-zeolite. H?-zeolite (Si/Al = 25) could be easily regenerated via a simple calcination, and a similar HMF yield with the first reaction run was observed in the seventh reaction run. More importantly, H?-zeolite (Si/Al = 25) and [BMIM]Cl were also confirmed to be an excellent combination for the conversion of other carbohydrates such as fructose, sucrose, maltose, cellobiose, starch and cellulose into HMF.

Lei Hu; Zhen Wu; Jiaxing Xu; Yong Sun; Lu Lin; Shijie Liu

2014-01-01T23:59:59.000Z

442

Behavior of Surface-Anchored Poly(acrylic acid) Brushes with Grafting Density Gradients on Solid Substrates: 1. Experiment  

SciTech Connect (OSTI)

We describe experiments pertaining to the formation of surface-anchored poly(acrylic acid) (PAA) brushes with a gradual variation of the PAA grafting densities on flat surfaces and provide detailed analysis of their properties. The PAA brush gradients are generated by first covering the substrate with a molecular gradient of the polymerization initiator, followed by the 'grafting from' polymerization of tert-butyl acrylate (tBA) from these substrate-bound initiator centers, and finally converting the PtBA into PAA. We use spectroscopic ellipsometry to measure the wet thickness of the grafted PAA chains in aqueous solutions at three different pH values (4, 5.8, and 10) and a series of ionic strengths (IS). Our measurements reveal that at low grafting densities, s, the wet thickness of the PAA brush (H) remains relatively constant, the polymers are in the mushroom regime. Beyond a certain value of s, the macromolecules enter the brush regime, where H increases with increasing s. For a given s, H exhibits a nonmonotonic behavior as a function of the IS. At large IS, the H is small because the charges along PAA are completely screened by the excess of the external salt. As IS decreases, the PAA enters the so-called salt brush (SB) regime, where H increases. At a certain value of IS, H reaches a maximum and then decreases again. The latter is a typical brush behavior in so-called osmotic brush (OB) regime. We provide detailed discussion of the behavior of the grafted PAA chains in the SB and OB regimes.

Wu,T.; Gong, P.; Szleifer, I.; Vicek, P.; Subr, V.; Genzer, J.

2007-01-01T23:59:59.000Z

443

Self-Assembly of Charged Amphiphilic Diblock Copolymers with Insoluble Blocks of Decreasing Hydrophobicity: From Kinetically Frozen Colloids to Macrosurfactants  

SciTech Connect (OSTI)

We have investigated the self-assembly properties in aqueous solution of amphiphilic diblock copolymers with insoluble blocks of different hydrophobicity and demonstrated that the condition to obtain dynamic micelles is to design samples with insoluble blocks of low enough hydrophobicity. We focus here on results with new water-soluble amphiphilic diblock copolymers poly(diethyleneglycol ethylether acrylate)-b-poly(acrylic acid), or PDEGA-b-PAA. The physical characteristics of PDEGA-b-PAA micelles at high ionization have been determined by small angle neutron scattering (SANS). We show that PDEGA-b-PAA samples form micelles at thermodynamic equilibrium. The critical micelle concentrations (CMCs) decrease strongly with ionic strength and temperature due to a solvent quality decrease for, respectively, the corona and the core. This behavior of reversible aggregation is remarkable as compared to the behavior of kinetically frozen aggregation that has been widely observed with samples of similar architecture and different hydrophobic blocks, for example, poly(styrene)-b-poly(acrylic acid), PS-b-PAA, and poly(butyl acrylate)-b-poly(acrylic acid), PBA-b-PAA. We have measured the interfacial tension between water and the homopolymers PDEGA and PBA at, respectively, 3 and 20 mN/m at room temperature, which permits one to estimate the energy cost to extract a unimer from a micelle. The results are consistent with a micelle association that is fast for PDEGA-b-PAA and kinetically frozen PBA-b-PAA. Hence, PDEGA-b-PAA samples form a new system of synthetic charged macrosurfactant with unique properties of fast dynamic association, tunable charge, and water solubility even at temperatures and NaCl concentrations as high as 65 C and 1 M.

M Jacquin; P Muller; H Cottet; O Theodoly

2011-12-31T23:59:59.000Z

444

Dehydration of isobutanol to isobutene in a slurry reactor  

SciTech Connect (OSTI)

The April 1990 Alternative Fuels Proposal to the Department of Energy involved the development of new technology, based on the liquid phase process, for conversion of coal-derived synthesis gas to oxygenated hydrocarbon fuels, fuel additives, and fuel intermediates. The objective of this work was to develop a slurry reactor based process for the dehydration of isobutanol to isobutene. The isobutene can serve as a feedstock for the high octane oxygenated fuel additive methyl tertiary-butyl either (MTBE). Alumina catalysts were investigated because of their wide use as a dehydration catalyst. Four commercially available alumina catalysts (Catapal B, Versal B, Versal GH, and Al-3996R) were evaluated for both activity and selectivity to the branched olefin. All four catalysts demonstrated conversions greater than 80% at 290 C, while conversions of near 100% could be obtained at 330 C. The reaction favors low pressures and moderate to low space velocities. A yield of 0.90 mole isobutene per mole reacted isobutanol or better was obtained at conversions of 60--70% and higher. From 75 to 98% conversion, the four catalysts all provide isobutene yields ranging from 0.92 to 0.94 with the maximum occurring around 90% conversion. At low conversions, the concentration of diisobutyl ether becomes significant while the concentration of linear butenes is essentially a linear function of isobutanol conversion. Doping the catalyst with up to 0.8 wt % potassium showed a modest increase in isobutene selectivity; however, this increase was more than offset by a reduction in activity. Investigations using a mixed alcohols feed (consistent with isobutanol synthesis from syngas) demonstrated a small increase in the C4 iso-olefin selectivity over that observed for a pure isobutanol feed. 55 refs.

Latshaw, B.E.

1994-02-01T23:59:59.000Z

445

Microporous Metal Organic Materials for Hydrogen Storage  

SciTech Connect (OSTI)

We have examined a number of Metal Organic Framework Materials for their potential in hydrogen storage applications. Results obtained in this study may, in general, be summarized as follows: (1) We have identified a new family of porous metal organic framework materials with the compositions M (bdc) (ted){sub 0.5}, {l_brace}M = Zn or Co, bdc = biphenyl dicarboxylate and ted = triethylene diamine{r_brace} that adsorb large quantities of hydrogen ({approx}4.6 wt%) at 77 K and a hydrogen pressure of 50 atm. The modeling performed on these materials agree reasonably well with the experimental results. (2) In some instances, such as in Y{sub 2}(sdba){sub 3}, even though the modeling predicted the possibility of hydrogen adsorption (although only small quantities, {approx}1.2 wt%, 77 K, 50 atm. hydrogen), our experiments indicate that the sample does not adsorb any hydrogen. This may be related to the fact that the pores are extremely small or may be attributed to the lack of proper activation process. (3) Some samples such as Zn (tbip) (tbip = 5-tert butyl isophthalate) exhibit hysteresis characteristics in hydrogen sorption between adsorption and desorption runs. Modeling studies on this sample show good agreement with the desorption behavior. It is necessary to conduct additional studies to fully understand this behavior. (4) Molecular simulations have demonstrated the need to enhance the solid-fluid potential of interaction in order to achieve much higher adsorption amounts at room temperature. We speculate that this may be accomplished through incorporation of light transition metals, such as titanium and scandium, into the metal organic framework materials.

S. G. Sankar; Jing Li; Karl Johnson

2008-11-30T23:59:59.000Z

446

Functionalization/passivation of porous graphitic carbon with di-tert-amylperoxide  

SciTech Connect (OSTI)

Porous graphitic carbon (PGC) particles were functionalized/passivated in situ in packed beds at elevated temperature with neat di-tert-amylperoxide (DTAP) in a column oven. The performance of these particles for high performance liquid chromatography (HPLC) was assayed before and after this chemistry with the following analytes: benzene, toluene, ethyl benzene, n-propyl benzene, n-butyl benzene, p-xylene, phenol, 4-methylphenol, phenetole, 3,5-xylenol, and anisole. After the first functionalization/passivation, the retention factors, k, of these compounds decreased by about 5% and the number of theoretical plates (N) increased by ca. 15%. These values of k then remained roughly constant after a second functionalization/ passivation but a further increase in N was noticed. In addition, after each of the reactions, the peak asymmetries decreased by ca. 15%, for a total of ca. 30%. The columns were then subjected twice to methanol at 100 C for 5 h at 1 mL/min. After these stability tests, the values of k remained roughly constant, the number of plates increased, which is favorable, and the asymmetries rose and then declined, where they remained below the initial values for the unfunctionalized columns. Functionalized and unfunctionalized particles were characterized by scanning electron microscopy and BET measurements, which showed no difference between the functionalized and unfunctionalized materials, and X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry (ToF-SIMS), where ToF-SIMS suggested some chemical differences between the functionalized and unfunctionalized materials. In particular ToF-SIMS suggested that the expected five-carbon fragments from DTAP exist at higher concentrations on DTAP-functionalized PGC. First principle calculations on model graphitic surfaces suggest that the first addition of a DTAP radical to the surface proceeds in an approximately isothermal or slightly favorable fashion, but that subsequent DTAP additions are then increasingly thermodynamically favorable. Thus, this analysis suggests that the direct functionalization/passivation of PGC with DTAP is plausible. Chemometric analyses of the chromatographic and ToF-SIMS data are also presented.

Jensen, David S.; Gupta, Vipul; Olsen, Rebecca E.; Miller, Alex T.; Davis, Robert C.; Ess, Daniel; Zhu, Zihua; Vail, Michael A.; Dadson, Andrew; Linford, Matthew R.

2011-11-18T23:59:59.000Z

447

Pressure Swing Absorption Device and Process for Separating CO{sub 2} from Shifted Syngas and its Capture for Subsequent Storage  

SciTech Connect (OSTI)

Using the ionic liquid (IL) 1-butyl-3-methylimidazolium dicyanamide ([bmim][DCA]) as the absorbent on the shell side of a membrane module containing either a porous hydrophobized ceramic tubule or porous hydrophobized polyether ether ketone (PEEK) hollow fiber membranes, studies for CO{sub 2} removal from hot simulated pre-combustion shifted syngas were carried out by a novel pressure swing membrane absorption (PSMAB) process. Helium was used as a surrogate for H{sub 2} in a simulated shifted syngas with CO{sub 2} around 40% (dry gas basis). In this cyclic separation process, the membrane module was used to achieve non-dispersive gas absorption from a high-pressure feed gas (689-1724 kPag; 100-250 psig) at temperatures between 25-1000C into a stationary absorbent liquid on the module shell side during a certain part of the cycle followed by among other cycle steps controlled desorption of the absorbed gases from the liquid in the rest of the cycle. Two product streams were obtained, one He-rich and the other CO{sub 2}-rich. Addition of polyamidoamine (PAMAM) dendrimer of generation 0 to IL [bmim][DCA] improved the system performance at higher temperatures. The solubilities of CO{sub 2} and He were determined in the ionic liquid with or without the dendrimer in solution as well as in the presence or absence of moisture; polyethylene glycol (PEG) 400 was also studied as a replacement for the IL. The solubility selectivity of the ionic liquid containing the dendrimer for CO{sub 2} over helium was considerably larger than that for the pure ionic liquid. The solubility of CO{sub 2} and CO{sub 2}-He solubility selectivity of PEG 400 and a solution of the dendrimer in PEG 400 were higher than the corresponding ones in the IL, [bmim][DCA]. A mathematical model was developed to describe the PSMAB process; a numerical solution of the governing equations described successfully the observed performance of the PSMAB process for the pure ionic liquid-based system.

Sirkar, Kamalesh; Jie, Xingming; Chau, John; Obuskovic, Gordana

2013-03-31T23:59:59.000Z

448

A study of the radical-radical reaction dynamics of O({sup 3}P)+t-C{sub 4}H{sub 9}{yields}OH+iso-C{sub 4}H{sub 8}  

SciTech Connect (OSTI)

The radical-radical reaction dynamics of ground-state atomic oxygen [O({sup 3}P)] with t-butyl radicals (t-C{sub 4}H{sub 9}) in the gas phase were investigated using high-resolution laser spectroscopy in a crossed-beam configuration, together with ab initio theoretical calculations. The radical reactants, O({sup 3}P) and t-C{sub 4}H{sub 9}, were produced by the photodissociation of NO{sub 2} and the supersonic flash pyrolysis of the precursor, azo-t-butane, respectively. A new exothermic channel, O({sup 3}P)+t-C{sub 4}H{sub 9}{yields}OH+iso-C{sub 4}H{sub 8}, was identified and the nascent rovibrational distributions of the OH (X {sup 2}{pi}:{upsilon}{sup ''}=0,1,2) products were examined. The population analyses for the two spin-orbit states of F{sub 1}({sup 2}{pi}{sub 3/2}) and F{sub 2}({sup 2}{pi}{sub 1/2}) showed that the {upsilon}{sup ''}=0 level is described by a bimodal feature composed of low- and high-N{sup ''} rotational components, whereas the {upsilon}{sup ''}=1 and 2 levels exhibit unimodal distributions. No noticeable spin-orbit or {lambda}-doublet propensities were observed in any vibrational state. The partitioning ratio of the vibrational populations (P{sub {upsilon}{sup ''}}) with respect to the low-N{sup ''} components of the {upsilon}{sup ''}=0 level was estimated to be P{sub 0}:P{sub 1}:P{sub 2}=1:1.17{+-}0.24:1.40{+-}0.11, indicating that the nascent internal distributions are highly excited. On the basis of the comparison of the experimental results with the statistical theory, the reaction mechanism at the molecular level can be described in terms of two competing dynamic pathways: the major, direct abstraction process leading to the inversion of the vibrational populations, and the minor, short-lived addition-complex process responsible for the hot rotational distributions. After considering the reaction exothermicity, the barrier height, and the number of intermediates along the addition reaction pathways on the lowest doublet potential energy surface, the formation of CH{sub 3}COCH{sub 3}(acetone)+CH{sub 3} was predicted to be dominant in the addition mechanism.

Nam, Mi-Ja; Youn, Sung-Eui; Choi, Jong-Ho [Department of Chemistry and Center for Electro and Photo Responsive Molecules, Korea University, 1, Anam-dong, Seoul 136-701 (Korea, Republic of)

2006-03-14T23:59:59.000Z

449

Distribution Behavior of U(VI), Pu(IV), Am(III), and Zr(IV) with N,N-Dihexyl Octanamide Under Uranium-Loading Conditions  

SciTech Connect (OSTI)

While the tri-n-butyl phosphate (TBP)-based PUREX process has been the workhorse of the nuclear fuel reprocessing industry for the last four and a half decades, a few drawbacks associated with the use of TBP have caused concern to the separation scientists and technologists. These shortcomings may pose a serious challenge particularly during the reprocessing of (a) short cooled thermal reactor fuels, (b) fast reactor fuels with the larger Pu content and significantly higher burn up, and (c) while treating various waste streams for their disposal to the environment. The N,N-dialkyl aliphatic amides have received particular attention as alternate potential extractants for the reprocessing of spent nuclear fuels in view of (a) the innocuous nature of their degradation products, namely, carboxylic acids/amines and (b) the possibility to incinerate the used solvent leading to reduced volume of secondary waste. The physical and chemical properties of these amides are influenced strongly by the nature of alkyl groups. The extractant N,N-dihexyl octanamide (DHOA) was found to be a promising candidate among a large number of extractants studied. Laboratory batch studies as well as mixer settler studies were performed under process conditions with DHOA and compared with those of TBP. DHOA was found to extract Pu(IV) more efficiently than TBP, both at trace-level concentration as well as under uranium loading conditions. In addition, the extraction behavior of Am(III) and Zr(IV) was studied at varying nitric acid concentrations (1 to 6 M). Extraction behavior of uranium at macroconcentrations (9.9 to 157.7 g/l) was carried out at different temperatures, and it was observed that D{sub U} decreased with the increase in U loading as well as with the increase of temperature (in the range 25 to 45 deg. C) and that the two-phase reaction was exothermic in nature. Mixer settler studies on U(VI) revealed that DHOA is similar to TBP during the extraction cycle but better than TBP during the stripping cycle.

Manchanda, V.K.; Ruikar, P.B.; Sriram, S.; Nagar, M.S.; Pathak, P.N.; Gupta, K.K.; Singh, R.K.; Chitnis, R.R.; Dhami, P.S.; Ramanujam, A. [Bhabha Atomic Research Centre (India)

2001-06-15T23:59:59.000Z

450

[Research and workshop on alternative fuels for aviation. Final report  

SciTech Connect (OSTI)

The Renewable Aviation Fuels Development Center (RAFDC) at Baylor University was granted U. S. Department of Energy (US DOE) and Federal Aviation Administration (FAA) funds for research and development to improve the efficiency in ethanol powered aircraft, measure performance and compare emissions of ethanol, Ethyl Tertiary Butyl Ether (ETBE) and 100 LL aviation gasoline. The premise of the initial proposal was to use a test stand owned by Engine Components Inc. (ECI) based in San Antonio, Texas. After the grant was awarded, ECI decided to close down its test stand facility. Since there were no other test stands available at that time, RAFDC was forced to find additional support to build its own test stand. Baylor University provided initial funds for the test stand building. Other obstacles had to be overcome in order to initiate the program. The price of the emission testing equipment had increased substantially beyond the initial quote. Rosemount Analytical Inc. gave RAFDC an estimate of $120,000.00 for a basic emission testing package. RAFDC had to find additional funding to purchase this equipment. The electronic ignition unit also presented a series of time consuming problems. Since at that time there were no off-the-shelf units of this type available, one had to be specially ordered and developed. FAA funds were used to purchase a Super Flow dynamometer. Due to the many unforeseen obstacles, much more time and effort than originally anticipated had to be dedicated to the project, with much of the work done on a volunteer basis. Many people contributed their time to the program. One person, mainly responsible for the initial design of the test stand, was a retired engineer from Allison with extensive aircraft engine test stand experience. Also, many Baylor students volunteered to assemble the. test stand and continue to be involved in the current test program. Although the program presented many challenges, which resulted in delays, the RAFDC's test stand is an asset which provides an ongoing research capability dedicated to the testing of alternative fuels for aircraft engines. The test stand is now entirely functional with the exception of the electronic ignition unit which still needs adjustments.

NONE

1999-09-01T23:59:59.000Z

451

Substituents Dependent Capability of bis(ruthenium-dioxolene-terpyridine)Complexes Toward Water Oxidation  

SciTech Connect (OSTI)

The bridging ligand, 1,8-bis(2,2':6',2{double_prime}-terpyrid-4'-yl)anthracene (btpyan) was synthesized by the Miyaura-Suzuki cross coupling reaction of anthracenyl-1,8-diboronic acid and 4'-triflyl-2,2':6'-2{double_prime}-terpyridine in the presence of Pd(PPh{sub 3}){sub 4} (5 mol%) with 68% in yield. Three ruthenium-dioxolene dimers, [Ru{sub 2}(OH){sub 2}(dioxolene){sub 2}(btpyan)]{sup 0} (dioxolene = 3,6-di-tert-butyl-1,2-benzosemiquinone ([1]{sup 0}), 3,5-dichloro-1,2-benzosemiquinone ([2]{sup 0}) and 4-nitro-1,2-benzosemiquinone ([3]{sup 0})) were prepared by the reaction of [Ru{sub 2}Cl{sub 6}(btpyan)]{sup 0} with the corresponding catechol. The electronic structure of [1]{sup 0} is approximated by [Ru{sub 2}{sup II}(OH){sub 2}(sq){sub 2}(btpyan)]{sup 0} (sq = semiquinonato). On the other hand, the electronic states of [2]{sup 0} and [3]{sup 0} are close to [Ru{sub 2}{sup III}(OH){sub 2} (cat){sub 2}(btpyan)]{sup 0} (cat = catecholato), indicating that a dioxolene having electron-withdrawing groups stabilizes [Ru{sub 2}{sup III}(OH){sub 2}(cat){sub 2}(btpyan)]{sup 0} rather than [Ru{sub 2}{sup II}(OH){sub 2}(sq){sub 2}(btpyan)]{sup 0} as resonance isomers. No sign was found of deprotonation of the hydroxo groups of [1]{sup 0}, whereas [2]{sup 0} and [3]{sup 0} showed an acid-base equilibrium in treatments with t-BuOLi followed by HClO{sub 4}. Furthermore, controlled potential electrolysis of [1]{sup 0} deposited on an ITO (indium-tin oxide) electrode catalyzed the four-electron oxidation of H{sub 2}O to evolve O{sub 2} at potentials more positive than +1.6 V (vs. SCE) at pH 4.0. On the other hand, the electrolysis of [2]{sup 0} and [3]{sup 0} deposited on ITO electrodes did not show catalytic activity for water oxidation under similar conditions. Such a difference in the reactivity among [1]{sup 0}, [2]{sup 0} and [3]{sup 0} is ascribed to the shift of the resonance equilibrium between [Ru{sub 2}{sup II}(OH){sub 2}(sq){sub 2}(btpyan)]{sup 0} and [Ru{sub 2}{sup III}(OH){sub 2}(cat){sub 2}(btpyan)]{sup 0}.

Wada, T.; Muckerman, J.; Fujita, E.; Tanaka, K.

2010-12-23T23:59:59.000Z

452

Middlesex FUSRAP Site - A Path to Site-Wide Closure - 13416  

SciTech Connect (OSTI)

The road-map to obtaining closure of the Middlesex Sampling Plant FUSRAP site in Middlesex, New Jersey (NJ) has required a multi-faceted approach, following the CERCLA Process. Since 1998, the US ACE, ECC, and other contractors have completed much of the work required for regulatory acceptance of site closure with unrestricted use. To date, three buildings have been decontaminated, demolished, and disposed of. Two interim storage piles have been removed and disposed of, followed by the additional removal and disposal of over 87,000 tons of radiologically and chemically-impacted subsurface soils by the summer of 2008. The US ACE received a determination from the EPA for the soils Operable Unit, (OU)-1, in September 2010 that the remedial excavations were acceptable, and meet the criteria for unrestricted use as required by the 2004 Record of Decision (ROD) for OU-1. Following the completion of OU-1, the project delivery team performed additional field investigation of the final Operable Unit for Middlesex, OU-2, Groundwater. As of December 2012, the project delivery team has completed a Supplemental Remedial Investigation, which will be followed with a streamlined Feasibility Study, Proposed Plan, and ROD. Several years of historical groundwater data was available from previous investigations and the FUSRAP Environmental Surveillance Program. Historical data indicated sporadic detections of Volatile Organic Compounds (VOCs), primarily trichloroethylene (TCE), carbon tetrachloride (CT), and methyl tert-butyl ether (MTBE), with no apparent trend or pattern indicating extent or source of the VOC impact. In 2008, the project delivery team initiated efforts to re-assess the Conceptual Site Model (CSM) for groundwater. The bedrock was re-evaluated as a leaky multi-unit aquifer, and a plan was developed for additional investigations for adequate bedrock characterization and delineation of groundwater contaminated primarily by CT, TCE, and tetrachloroethene (PCE). The investigation was designed to accumulate multiple lines of evidence to determine the source and to delineate the extent of contamination, as required to complete the CERCLA Process and gain regulatory acceptance. Investigative techniques included in-well vertical flow tracing, borehole geophysics and packer testing of temporary test holes to characterize contamination in the bedrock fractures beneath the site, and to delineate likely source areas. (authors)

Miller, David M. [ECC, 110 Fieldcrest Ave, Ste 31, Edison, NJ, 08837 (United States)] [ECC, 110 Fieldcrest Ave, Ste 31, Edison, NJ, 08837 (United States); Edge, Helen [US Army Corps of Engineers - NYD, 26 Federal Plaza, Room 1811, New York, NY, 10278 (United States)] [US Army Corps of Engineers - NYD, 26 Federal Plaza, Room 1811, New York, NY, 10278 (United States)

2013-07-01T23:59:59.000Z

453

Influence of the process parameters on the spray pyrolysis technique, on the synthesis of gadolinium doped-ceria thin film  

SciTech Connect (OSTI)

Graphical abstract: Gas-tight CGO made by spray pyrolysis suitable to be used as SOFC electrolyte. Display Omitted Highlights: ? Dense and crystalline CGO films deposited by spray pyrolysis on various substrates. ? Solvent did not have a strong influence on the film microstructure, defect concentration or thickness. ? The substrate did not have a strong influence on the film microstructure, defect concentration or thickness. ? Films with at least 2.5 ?m of thickness presented high impermeability. ? The films obtained are suitable to use as a SOFC electrolyte. -- Abstract: This work presents the results of a process of optimization applied to gadolinia-doped ceria (Ce{sub 0.8}Gd{sub 0.2}O{sub 1.9?x}, or CGO) thin films, deposited by spray pyrolysis (SP). Spray pyrolysis is a high thermal deposition method that combines material deposition and heat treatment. This combination is advantageous since the post-deposition heat treatment step is not necessary. However, stresses are solidified in the coating during the deposition, which may lead to the initiation of a crack in the coating. The aim of this work was to achieve thin, dense, and continuous CGO coatings, which may be used as gas separation membranes and as a solid state electrochemical interfaces. Dense, flat, low-defect substrates such as silica slides, silicon mono crystal wafers, and porous substrates were used as substrates in this work. Cerium ammonium nitrate and gadolinium acetylacetonate were dissolved in ethanol and butyl carbitol to form a precursor solution that was sprayed on the heated substrates. Process parameters such as solvent composition, deposition rate and different heating regimes were analyzed. The microstructure was analyzed by secondary electron microscopy (SEM) and was found that thin, dense, and defect-free films could be produced on dense and porous substrates. The results obtained show that it is possible to obtain a CGO dense film deposited by spray pyrolysis. X-ray diffraction (XRD) analysis showed that the films were crystalline after the deposition without requiring post-deposition heat treatment. The crystallite size does not vary significantly as a function of the annealing temperature.

Halmenschlager, C.M., E-mail: cibelemh@yahoo.com.br [Laboratory of Materials Ceramic LACER/PPGEM, Federal University of Rio Grande do Sul, Av. Osvaldo Aranha, 99/705C, CEP: 90035-190, Porto Alegre, RS (Brazil); National Research Council, Institute for Fuel Cell Innovation NRC-IFCI, 4250 Wesbrook Mall, V6T 1W5 Vancouver, BC (Canada); Neagu, R. [National Research Council, Institute for Fuel Cell Innovation NRC-IFCI, 4250 Wesbrook Mall, V6T 1W5 Vancouver, BC (Canada)] [National Research Council, Institute for Fuel Cell Innovation NRC-IFCI, 4250 Wesbrook Mall, V6T 1W5 Vancouver, BC (Canada); Rose, L. [National Research Council, Institute for Fuel Cell Innovation NRC-IFCI, 4250 Wesbrook Mall, V6T 1W5 Vancouver, BC (Canada) [National Research Council, Institute for Fuel Cell Innovation NRC-IFCI, 4250 Wesbrook Mall, V6T 1W5 Vancouver, BC (Canada); Department of Materials Engineering, V6T 1Z1 Vancouver, BC (Canada); Malfatti, C.F. [Laboratory of Research in Corrosion LAPEC/PPGEM, Federal University of Rio Grande do Sul, Av. Bento Gonçalves, 9500, Setor 4, Prédio 75/2° Andar, CEP: 91501-970, Campus do Vale, Porto Alegre, RS (Brazil)] [Laboratory of Research in Corrosion LAPEC/PPGEM, Federal University of Rio Grande do Sul, Av. Bento Gonçalves, 9500, Setor 4, Prédio 75/2° Andar, CEP: 91501-970, Campus do Vale, Porto Alegre, RS (Brazil); Bergmann, C.P. [Laboratory of Materials Ceramic LACER/PPGEM, Federal University of Rio Grande do Sul, Av. Osvaldo Aranha, 99/705C, CEP: 90035-190, Porto Alegre, RS (Brazil)] [Laboratory of Materials Ceramic LACER/PPGEM, Federal University of Rio Grande do Sul, Av. Osvaldo Aranha, 99/705C, CEP: 90035-190, Porto Alegre, RS (Brazil)

2013-02-15T23:59:59.000Z

454

Radiation induced redox reactions and fragmentation of constituent ions in ionic liquids II. Imidazolium cations.  

SciTech Connect (OSTI)

In part 1 of this study, radiolytic degradation of constituent anions in ionic liquids (ILs) was examined. The present study continues the themes addressed in part 1 and examines the radiation chemistry of 1,3-dialkyl substituted imidazolium cations, which currently comprise the most practically important and versatile class of ionic liquid cations. For comparison, we also examined 1,3-dimethoxy- and 2-methyl-substituted imidazolium and 1-butyl-4-methylpyridinium cations. In addition to identification of radicals using electron paramagnetic resonance spectroscopy (EPR) and selective deuterium substitution, we analyzed stable radiolytic products using {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR) and tandem electrospray ionization mass spectrometry (ESMS). Our EPR studies reveal rich chemistry initiated through 'ionization of the ions': oxidation and the formation of radical dications in the aliphatic arms of the parent cations (leading to deprotonation and the formation of alkyl radicals in these arms) and reduction of the parent cation, yielding 2-imidazolyl radicals. The subsequent reactions of these radicals depend on the nature of the IL. If the cation is 2-substituted, the resulting 2-imidazolyl radical is relatively stable. If there is no substitution at C(2), the radical then either is protonated or reacts with the parent cation forming a C(2)-C(2) {sigma}{sigma}*-bound dimer radical cation. In addition to these reactions, when methoxy or C{sub {alpha}}-substituted alkyl groups occupy the N(1,3) positions, their elimination is observed. The elimination of methyl groups from N(1,3) was not observed. Product analyses of imidazolium liquids irradiated in the very-high-dose regime (6.7 MGy) reveal several detrimental processes, including volatilization, acidification, and oligomerization. The latter yields a polymer with m/z of 650 {+-} 300 whose radiolytic yield increases with dose (0.23 monomer units per 100 eV for 1-methyl-3-butylimidazolium trifluorosulfonate). Gradual generation of this polymer accounts for the steady increase in the viscosity of the ILs upon irradiation. Previous studies at lower dose have missed this species due to its wide mass distribution (stretching out to m/z 1600) and broad NMR lines, which make it harder to detect at lower concentrations. Among other observed changes is the formation of water immiscible fractions in hydrophilic ILs and water miscible fractions in hydrophobic ILs. The latter is due to anion fragmentation. The import of these observations for use of ILs as extraction solvents in nuclear cycle separations is discussed.

Shkrob, I. A.; Marin, T. W.; Chemerisov, S. D.; Hatcher, J.; Wishart, J. (Chemical Sciences and Engineering Division); (BNL)

2011-04-14T23:59:59.000Z

455

Total Crude Oil and Petroleum Products Imports by Area of Entry  

U.S. Energy Information Administration (EIA) Indexed Site

by Area of Entry by Area of Entry Product: Total Crude Oil and Petroleum Products Crude Oil Natural Gas Plant Liquids and Liquefied Refinery Gases Pentanes Plus Liquefied Petroleum Gases Ethane Ethylene Propane Propylene Normal Butane Butylene Isobutane Isobutylene Other Liquids Hydrogen/Oxygenates/Renewables/Other Hydrocarbons Oxygenates (excl. Fuel Ethanol) Methyl Tertiary Butyl Ether (MTBE) Other Oxygenates Renewable Fuels (incl. Fuel Ethanol) Fuel Ethanol Biomass-Based Diesel Fuel Other Renewable Diesel Fuel Other Renewable Fuels Other Hydrocarbons Unfinished Oils Naphthas and Lighter Kerosene and Light Gas Oils Heavy Gas Oils Residuum Motor Gasoline Blending Components (MGBC) MGBC - Reformulated, RBOB MGBC - Conventional MGBC - Conventional, CBOB MGBC - Conventional, GTAB MGBC - Other Conventional Aviation Gasoline Blending Components Finished Petroleum Products Finished Motor Gasoline Reformulated Gasoline Reformulated Blended w/ Fuel Ethanol Conventional Gasoline Conventional Blended w/ Fuel Ethanol Conventional Blended w/ Fuel Ethanol, Ed55 and Lower Conventional Other Finished Aviation Gasoline Kerosene-Type Jet Fuel Kerosene-Type Bonded Aircraft Fuel Other Bonded Aircraft Fuel Kerosene Distillate Fuel Oil Distillate F.O., 15 ppm and under Distillate F.O., Bonded, 15 ppm and under Distillate F.O., Other, 15 ppm and under Distillate F.O., Greater than 15 to 500 ppm Distillate F.O., Bonded, Greater than 15 to 500 ppm Distillate F.O., Other, Greater than 15 to 500 ppm Distillate F.O., Greater than 500 ppm Distillate F.O., Greater than 500 to 2000 ppm Distillate F.O., Bonded, Greater than 500 to 2000 ppm Distillate F.O., Other, Greater than 500 ppm to 2000 ppm Distillate F.O., Greater than 2000 ppm Distillate F.O., Bonded, Greater than 2000 ppm Distillate F.O., Other, Greater than 2000 ppm Residual Fuel Oil Residual F.O., Bonded Ship Bunkers, Less than 0.31% Sulfur Residual F.O., Bonded Ship Bunkers, 0.31 to 1.00% Sulfur Residual F.O., Bonded Ship Bunkers, Greater than 1.00% Sulfur Petrochemical Feedstocks Naphtha for Petrochem. Feed. Use Other Oils for Petrochem Feed. Use Special Naphthas Lubricants Waxes Petroleum Coke Asphalt and Road Oil Miscellaneous Products Period-Unit: Monthly-Thousand Barrels Monthly-Thousand Barrels per Day Annual-Thousand Barrels Annual-Thousand Barrels per Day

456

Improving the Estimates of Waste from the Recycling of Used Nuclear Fuel - 13410  

SciTech Connect (OSTI)

Estimates are presented of wastes arising from the reprocessing of 50 GWD/tonne, 5 year and 50 year cooled used nuclear fuel (UNF) from Light Water Reactors (LWRs), using the 'NUEX' solvent extraction process. NUEX is a fourth generation aqueous based reprocessing system, comprising shearing and dissolution in nitric acid of the UNF, separation of uranium and mixed uranium-plutonium using solvent extraction in a development of the PUREX process using tri-n-butyl phosphate in a kerosene diluent, purification of the plutonium and uranium-plutonium products, and conversion of them to uranium trioxide and mixed uranium-plutonium dioxides respectively. These products are suitable for use as new LWR uranium oxide and mixed oxide fuel, respectively. Each unit process is described and the wastes that it produces are identified and quantified. Quantification of the process wastes was achieved by use of a detailed process model developed using the Aspen Custom Modeler suite of software and based on both first principles equilibrium and rate data, plus practical experience and data from the industrial scale Thermal Oxide Reprocessing Plant (THORP) at the Sellafield nuclear site in the United Kingdom. By feeding this model with the known concentrations of all species in the incoming UNF, the species and their concentrations in all product and waste streams were produced as the output. By using these data, along with a defined set of assumptions, including regulatory requirements, it was possible to calculate the waste forms, their radioactivities, volumes and quantities. Quantification of secondary wastes, such as plant maintenance, housekeeping and clean-up wastes, was achieved by reviewing actual operating experience from THORP during its hot operation from 1994 to the present time. This work was carried out under a contract from the United States Department of Energy (DOE) and, so as to enable DOE to make valid comparisons with other similar work, a number of assumptions were agreed. These include an assumed reprocessing capacity of 800 tonnes per year, the requirement to remove as waste forms the volatile fission products carbon-14, iodine-129, krypton-85, tritium and ruthenium-106, the restriction of discharge of any water from the facility unless it meets US Environmental Protection Agency drinking water standards, no intentional blending of wastes to lower their classification, and the requirement for the recovered uranium to be sufficiently free from fission products and neutron-absorbing species to allow it to be re-enriched and recycled as nuclear fuel. The results from this work showed that over 99.9% of the radioactivity in the UNF can be concentrated via reprocessing into a fission-product-containing vitrified product, bottles of compressed krypton storage and a cement grout containing the tritium, that together have a volume of only about one eighth the volume of the original UNF. The other waste forms have larger volumes than the original UNF but contain only the remaining 0.1% of the radioactivity. (authors)

Phillips, Chris; Willis, William; Carter, Robert [EnergySolutions Federal EPC., 2345 Stevens Drive, Richland, WA, 99354 (United States)] [EnergySolutions Federal EPC., 2345 Stevens Drive, Richland, WA, 99354 (United States); Baker, Stephen [UK National Nuclear Laboratory, Warrington, Cheshire (United Kingdom)] [UK National Nuclear Laboratory, Warrington, Cheshire (United Kingdom)

2013-07-01T23:59:59.000Z

457

Advanced Extraction Methods for Actinide/Lanthanide Separations  

SciTech Connect (OSTI)

The separation of An(III) ions from chemically similar Ln(III) ions is perhaps one of the most difficult problems encountered during the processing of nuclear waste. In the 3+ oxidation states, the metal ions have an identical charge and roughly the same ionic radius. They differ strictly in the relative energies of their f- and d-orbitals, and to separate these metal ions, ligands will need to be developed that take advantage of this small but important distinction. The extraction of uranium and plutonium from nitric acid solution can be performed quantitatively by the extraction with the TBP (tributyl phosphate). Commercially, this process has found wide use in the PUREX (plutonium uranium extraction) reprocessing method. The TRUEX (transuranium extraction) process is further used to coextract the trivalent lanthanides and actinides ions from HLLW generated during PUREX extraction. This method uses CMPO [(N, N-diisobutylcarbamoylmethyl) octylphenylphosphineoxide] intermixed with TBP as a synergistic agent. However, the final separation of trivalent actinides from trivalent lanthanides still remains a challenging task. In TRUEX nitric acid solution, the Am(III) ion is coordinated by three CMPO molecules and three nitrate anions. Taking inspiration from this data and previous work with calix[4]arene systems, researchers on this project have developed a C3-symmetric tris-CMPO ligand system using a triphenoxymethane platform as a base. The triphenoxymethane ligand systems have many advantages for the preparation of complex ligand systems. The compounds are very easy to prepare. The steric and solubility properties can be tuned through an extreme range by the inclusion of different alkoxy and alkyl groups such as methyoxy, ethoxy, t-butoxy, methyl, octyl, t-pentyl, or even t-pentyl at the ortho- and para-positions of the aryl rings. The triphenoxymethane ligand system shows promise as an improved extractant for both tetravalent and trivalent actinide recoveries form high level liquid wastes and a general actinide clean-up procedure. The selectivity of the standard extractant for tetravalent actinides, (N,N-diisobutylcarbamoylmethyl) octylphenylphosphineoxide (CMPO), was markedly improved by the attachment of three CMPO-like functions onto a triphenoxymethane platform, and a ligand that is both highly selective and effective for An(IV) ions was isolated. A 10 fold excess of ligand will remove virtually all of the 4+ actinides from the acidic layer without extracting appreciable quantities of An(III) and Ln(III) unlike simple CMPO ligands. Inspired by the success of the DIAMEX industrial process for extractions, three new tripodal chelates bearing three diglycolamide and thiodiglycolamide units precisely arranged on a triphenoxymethane platform have been synthesized for an highly efficient extraction of trivalent f-element cations from nitric acid media. A single equivalent of ligand will remove 80% of the Ln(III) ion from the acidic layer since the ligand is perfectly suited to accommodate the tricapped trigonal prismatic geometry preferred by the metal center. The ligand is perhaps the most efficient binder available for the heavier lanthanides and due to this unique attribute, the extraction event can be easily followed by 1H NMR spectroscopy confirming the formation of a TPP complex. The most lipophilic di-n-butyl tris-diglycolamide was found to be a significantly weaker extractant in comparison to the di-isopropyl analogs. The tris-thiodiglycolamide derivative proved to be an ineffective chelate for f-elements and demonstrated the importance of the etheric oxygens in the metal binding. The results presented herein clearly demonstrate a cooperative action of these three ligating groups within a single molecule, confirmed by composition and structure of the extracted complexes, and since actinides prefer to have high coordination numbers, the ligands should be particularly adept at binding with three arms. The use of such an extractant permits the extraction of metal ions form highly acidic environment through the ability

Scott, M.J.

2005-12-01T23:59:59.000Z

458

Novel Approaches to Immobilized Heteropoly Acid Systems for High Temperature, Low Relative Humidity Polymer-Type Membranes - Final Report  

SciTech Connect (OSTI)

Original research was carried out at the CSM and the 3M Company from March 2007 through September 2011. The research was aimed at developing new to the world proton electrolyte materials for use in hydrogen fuel cells, in particular with high proton conductivity under hot and dry conditions (>100mS/cm at 120°C and 50%RH). Broadly stated, the research at 3M and between 3M and CSM that led to new materials took place in two phases: In the first phase, hydrocarbon membranes that could be formed by photopolymerization of monomer mixtures were developed for the purpose of determining the technical feasibility of achieving the program's Go/No-Go decision conductivity target of >100mS/cm at 120°C and 50%RH. In the second phase, attempts were made to extend the achieved conductivity level to fluorinated material systems with the expectation that durability and stability would be improved (over the hydrocarbon material). Highlights included: Multiple lots of an HPA-immobilized photocurable terpolymer derived from di-vinyl-silicotungstic acid (85%), n-butyl acrylate, and hexanediol diacrylate were prepared at 3M and characterized at 3M to exhibit an initial conductivity of 107mS/cm at 120°C and 47%RH (PolyPOM85v) using a Bekktech LLC sample fixture and TestEquity oven. Later independent testing by Bekktech LLC, using a different preheating protocol, on the same material, yielded a conductivity value of approximately 20mS/cm at 120°C and 50%RH. The difference in measured values is likely to have been the result of an instability of properties for the material or a difference in the measurement method. A dispersed catalyst fuel cell was fabricated and tested using a 150¼m thick HPA-based photocurable membrane (above, PolyPOM75v), exhibiting a current density of greater than 300mA/cm2 at 0.5V (H2/Air 800/1800sccm 70°C/75%RH ambient outlet pressure). Multiple lots of a co-polymer based on poly-trifluorovinylether (TFVE) derived HPA were synthesized and fabricated into films, Generation II films. These materials showed proton conductivities as high as 1 S/cm under high RH conditions. However, the materials suffered from compromised properties due to impure monomers and low molecular weights. Multiple lots of an HPA-immobilized fluoropolymer derived from preformed PVDF-HFP (Generation III films) were synthesized and formed into membranes at 3M and characterized at 3M to exhibit conductivity reaching approximately 75mS/cm at 120°C/40%RH using a Bekktech sample fixture and TestEquity oven (optimized membrane, at close of program). Initial fuel cell fabrication and testing for this new class of membrane yielded negative results (no measureable proton conductivity); however, the specific early membrane that was used for the two 5cm2 MEAs was later determined to have <1 mS/cm at 80°C/80%RH using the Bekktech fixture, vs. ca. 200 mS/cm at 80°C/80%RH for samples of the later-optimized type described above. Future work in this area (beyond the presently reported contract) should include additional attempts to fabricate and test fuel cells based on the later-optimized Generation II and III polymer. A manufacturing study was performed which predicted no difficulties in any future scale up of the materials.

Herring, Andrew M; Horan, James L; Aieta, Niccolo V; Sachdeva, Sonny; Kuo, Mei-Chen; Ren, Hui; Lingutla, Anitha; Emery, Michael; Haugen, Gregory M; Yandrasits, Michael A; Sharma, Neeraj; Coggio, William D; Hamrock, Steven J; Frey, Matthew H

2012-05-20T23:59:59.000Z

459

IMPACT OF OXYGENATED FUEL ON DIESEL ENGINE PERFORMANCE AND EMISSIONS  

SciTech Connect (OSTI)

As evidenced by recent lawsuits brought against operators of large diesel truck fleets [1] and by the Consent Decree brought against the heavy-duty diesel manufacturers [2], the environmental and health effects of diesel engine emissions continue to be a significant concern. Reduction of diesel engine emissions has traditionally been achieved through a combination of fuel system, combustion chamber, and engine control modifications [3]. Catalytic aftertreatment has become common on modern diesel vehicles, with the predominant device being the diesel oxidation catalytic converter [3]. To enable advanced after-treatment devices and to directly reduce emissions, significant recent interest has focused on reformulation of diesel fuel, particularly the reduction of sulfur content. The EPA has man-dated that diesel fuel will have only 15 ppm sulfur content by 2007, with current diesel specifications requiring around 300 ppm [4]. Reduction of sulfur will permit sulfur-sensitive aftertreatment devices, continuously regenerating particulate traps, NOx control catalysts, and plasma assisted catalysts to be implemented on diesel vehicles [4]. Another method of reformulating diesel fuel to reduce emissions is to incorporate oxygen in the fuel, as was done in the reformulation of gasoline. The use of methyl tertiary butyl ether (MTBE) in reformulated gasoline has resulted in contamination of water resources across the country [5]. Nonetheless, by relying on the lessons learned from MTBE, oxygenation of diesel fuel may be accomplished without compromising water quality. Oxygenation of diesel fuel offers the possibility of reducing particulate matter emissions significantly, even for the current fleet of diesel vehicles. The mechanism by which oxygen content leads to particulate matter reductions is still under debate, but recent evidence shows clearly that ''smokeless'' engine operation is possible when the oxygen content of diesel fuel reaches roughly 38% by weight [6]. The potential improvements in energy efficiency within the transportation section, particularly in sport utility vehicles and light-duty trucks, that can be provided by deployment of diesel engines in passenger cars and trucks is a strong incentive to develop cleaner burning diesel engines and cleaner burning fuels for diesel engines. Thus, serious consideration of oxygenated diesel fuels is of significant practical interest and value to society. In the present work, a diesel fuel reformulating agent, CETANERTM, has been examined in a popular light-medium duty turbodiesel engine over a range of blending ratios. This additive is a mixture of glycol ethers and can be produced from dimethyl ether, which itself can be manufactured from synthesis gas using Air Products' Liquid Phase Dimethyl Ether (LPDME TM) technology. CETANERTM is a liquid, has an oxygen content of 36 wt.%, has a cetane number over 100 and is highly miscible in diesel fuel. This combination of physical and chemical properties makes CETANERTM an attractive agent for oxygenating diesel fuel. The present study considered CETANERTM ratios from 0 to 40 wt.% in a California Air Resources Board (CARB) specification diesel fuel. Particulate matter emissions, gaseous emissions and in-cylinder pressure traces were monitored over the AVL 8-Mode engine test protocol [7]. This paper presents the results from these measurements and discusses the implications of using high cetane number oxygenates in diesel fuel reformulation.

Boehman, Andre L.

2000-08-20T23:59:59.000Z

460

Synthesis of main group, rare-earth, and d{sup 0} metal complexes containing beta-hydrogen  

SciTech Connect (OSTI)

A series of organometallic compounds containing the tris(dimethylsilyl)methyl ligand are described. The potassium carbanions KC(SiHMe{sub 2}){sub 3} and KC(SiHMe{sub 2}){sub 3}TMEDA are synthesized by deprotonation of the hydrocarbon HC(SiHMe{sub 2}){sub 3} with potassium benzyl. KC(SiHMe{sub 2}){sub 3}TMEDA crystallizes as a dimer with two types of three-center-two-electron KH- Si interactions. Homoleptic Ln(III) tris(silylalkyl) complexes containing ?-SiH groups M{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) are synthesized from salt elimination of the corresponding lanthanide halide and 3 equiv. of KC(SiHMe{sub 2}){sub 3}. The related reactions with Sc yield bis(silylalkyl) ate-complexes containing either LiCl or KCl. The divalent calcium and ytterbium compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) are prepared from MI{sub 2} and 2 equiv of KC(SiHMe{sub 2}){sub 3}. The compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and La{C(SiHMe{sub 2}){sub 3}}{sub 3} react with 1 equiv of B(C{sub 6}F{sub 5}){sub 3} to give 1,3- disilacyclobutane {Me2Si-C(SiHMe2)2}2 and MC(SiHMe2)3HB(C6F5)3L, and La{C(SiHMe{sub 2}){sub 3}}{sub 2}HB(C{sub 6}F{sub 5}){sub 3}, respectively. The corresponding reactions of Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu) give the ?-SiH abstraction product [{(Me{sub 2}HSi){sub 3}C}{sub 2}LnC(SiHMe{sub 2}){sub 2}SiMe{sub 2}][HB(C{sub 6}F{sub 5}){sub 3}] (Ln = Y, Lu), but the silene remains associated with the Y or Lu center. The abstraction reactions of M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2 }or TMEDA) and Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) and 2 equiv of B(C{sub 6}F{sub 5}){sub 3} give the expected dicationic M{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and dicationic mono(silylalkyl) LnC(SiHMe{sub 2}){sub 3}{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2} (Ln = Y, Lu, La), respectively. Salt metathesis reactions of Cp{sub 2}(NR{sub 2})ZrX (X = Cl, I, OTf; R = t-Bu, SiHMe{sub 2}) and lithium hydrosilazide ultimately afford hydride products Cp{sub 2}(NR{sub 2})ZrH that suggest unusual ?-hydrogen elimination processes. A likely intermediate in one of these reactions, Cp{sub 2}Zr[N(SiHMe{sub 2})t-Bu][N(SiHMe{sub 2}){sub 2}], is isolated under controlled synthetic conditions. Addition of alkali metal salts to this zirconium hydrosilazide compound produces the corresponding zirconium hydride. However as conditions are varied, a number of other pathways are also accessible, including C-H/Si-H dehydrocoupling, ?-abstraction of a CH, and ?-abstraction of a SiH. Our observations suggest that the conversion of (hydrosilazido)zirconocene to zirconium hydride does not follow the classical four-center ?- elimination mechanism. Elimination and abstraction reactions dominate the chemistry of ligands containing ?- hydrogen. In contrast, Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}H and Cp{sub 2}Zr{N(SiHMe{sub 2}){sub 2}}Me undergo selective ?-CH bond activation to yield the azasilazirconacycle Cp{sub 2Zr}{?{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}}, even though there are reactive ?-hydrogen available for abstraction. The ?-SiH groups in metallacycle provide access to new pathways for sixteen-electron zirconium alkyl compounds, in which Cp{sub 2}Zr{?{sup 2}-N(SiHMe{sub 2})SiHMeCH{sub 2}} undergoes a rare ?-bond metathesis reaction with ethylene. The resulting vinyl intermediate undergoes ?-hydrogen abstraction to reform ethylene and a silanimine zirconium species that reacts with ethylene to give a metallacyclopentane as the isolated product. The pendent ?-SiH in metallocycle also reacts with paraformaldehyde through an uncatalyzed hydrosilylation to form an exocyclic methoxysilyl moiety, while the zirconium-carbon bond in metallocycle is surprisingly inert toward formaldehyde. Still, the Zr-C moiety in metallocycle is available for chemistry, and it interacts with the carbon monoxide and strong electrophile B(C{sub 6}F{sub 5}){sub 3} to provide Cp{sub 2}Zr[?{sup 2}- OC(=CH{sub 2})SiMeHN(SiHMe

Yan, Ka King [Ames Laboratory

2013-05-02T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
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461

An Aerosol Condensation Model for Sulfur Trioxide  

SciTech Connect (OSTI)

This document describes a model for condensation of sulfuric acid aerosol given an initial concentration and/or source of gaseous sulfur trioxide (e.g. fuming from oleum). The model includes the thermochemical effects on aerosol condensation and air parcel buoyancy. Condensation is assumed to occur heterogeneously onto a preexisting background aerosol distribution. The model development is both a revisiting of research initially presented at the Fall 2001 American Geophysical Union Meeting [1] and a further extension to provide new capabilities for current atmospheric dispersion modeling efforts [2]. Sulfuric acid is one of the most widely used of all industrial chemicals. In 1992, world consumption of sulfuric acid was 145 million metric tons, with 42.4 Mt (mega-tons) consumed in the United States [10]. In 2001, of 37.5 Mt consumed in the U.S., 74% went into producing phosphate fertilizers [11]. Another significant use is in mining industries. Lawuyi and Fingas [7] estimate that, in 1996, 68% of use was for fertilizers and 5.8% was for mining. They note that H{sub 2}SO{sub 4} use has been and should continue to be very stable. In the United States, the elimination of MTBE (methyl tertiary-butyl ether) and the use of ethanol for gasoline production are further increasing the demand for petroleum alkylate. Alkylate producers have a choice of either a hydrofluoric acid or sulfuric acid process. Both processes are widely used today. Concerns, however, over the safety or potential regulation of hydrofluoric acid are likely to result in most of the growth being for the sulfuric acid process, further increasing demand [11]. The implication of sulfuric acid being a pervasive industrial chemical is that transport is also pervasive. Often, this is in the form of oleum tankers, having around 30% free sulfur trioxide. Although sulfuric acid itself is not a volatile substance, fuming sulfuric acid (referred to as oleum) is [7], the volatile product being sulfur trioxide. Sulfate aerosols and mist may form in the atmosphere on tank rupture. From chemical spill data from 1990-1996, Lawuyi02 and Fingas [7] prioritize sulfuric acid as sixth most serious. During this period, they note 155 spills totaling 13 Mt, out of a supply volume of 3700 Mt. Lawuyi and Fingas [7] summarize information on three major sulfuric acid spills. On 12 February 1984, 93 tons of sulfuric acid were spilled when 14 railroad cars derailed near MacTier, Parry Sound, Ontario. On 13 December 1978, 51 railroad cars derailed near Springhill, Nova Scotia. One car, containing 93% sulfuric acid, ruptured, spilling nearly its entire contents. In July 1993, 20 to 50 tons of fuming sulfuric acid spilled at the General Chemical Corp. plant in Richmond, California, a major industrial center near San Francisco. The release occurred when oleum was being loaded into a nonfuming acid railroad tank car that contained only a rupture disk as a safety device. The tank car was overheated and this rupture disk blew. The resulting cloud of sulfuric acid drifted northeast with prevailing winds over a number of populated areas. More than 3,000 people subsequently sought medical attention for burning eyes, coughing, headaches, and nausea. Almost all were treated and released on the day of the spill. By the day after the release, another 5,000 people had sought medical attention. The spill forced the closure of five freeways in the region as well as some Bay Area Rapid Transit System stations. Apart from corrosive toxicity, there is the additional hazard that the reactions of sulfur trioxide and sulfuric acid vapors with water are extremely exothermic [10, 11]. While the vapors are intrinsically denser than air, there is thus the likelihood of strong, warming-induced buoyancy from reactions with ambient water vapor, water-containing aerosol droplets, and wet environmental surface. Nordin [12] relates just such an occurrence following the Richmond, CA spill, with the plume observed to rise to 300 m. For all practical purposes, sulfur trioxide was the constituent released from the heated tank

Grant, K E

2008-02-07T23:59:59.000Z

462

DEVELOPMENT OF ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS  

SciTech Connect (OSTI)

This Final Report for Cooperative Agreement No. DE-FC22-95PC93052, the ''Development of Alternative Fuels and Chemicals from Synthesis Gas,'' was prepared by Air Products and Chemicals, Inc. (Air Products), and covers activities from 29 December 1994 through 31 July 2002. The overall objectives of this program were to investigate potential technologies for the conversion of synthesis gas (syngas), a mixture primarily of hydrogen (H{sub 2}) and carbon monoxide (CO), to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at the LaPorte, Texas Alternative Fuels Development Unit (AFDU). Laboratory work was performed by Air Products and a variety of subcontractors, and focused on the study of the kinetics of production of methanol and dimethyl ether (DME) from syngas, the production of DME using the Liquid Phase Dimethyl Ether (LPDME{trademark}) Process, the conversion of DME to fuels and chemicals, and the production of other higher value products from syngas. Four operating campaigns were performed at the AFDU during the performance period. Tests of the Liquid Phase Methanol (LPMEOH{trademark}) Process and the LPDME{trademark} Process were made to confirm results from the laboratory program and to allow for the study of the hydrodynamics of the slurry bubble column reactor (SBCR) at a significant engineering scale. Two campaigns demonstrated the conversion of syngas to hydrocarbon products via the slurry-phase Fischer-Tropsch (F-T) process. Other topics that were studied within this program include the economics of production of methyl tert-butyl ether (MTBE), the identification of trace components in coal-derived syngas and the means to economically remove these species, and the study of systems for separation of wax from catalyst in the F-T process. The work performed under this Cooperative Agreement has continued to promote the development of technologies that use clean syngas produced from any one of a variety of sources (including coal) for the production of a spectrum of alternative fuels (hydrocarbons and oxygenate fuels), octane enhancers, and chemicals and chemical intermediates. In particular, the data from the 1995 LPMEOH{trademark} campaign provided confirmation of assumptions used in the design of the catalyst reduction system at the Kingsport LPMEOH{trademark} Commercial Demonstration Project, and the alternate methanol catalyst has been in use there since late 1998. The kinetic model was also expanded to allow for more accurate prediction of methanol production and carbon dioxide (CO{sub 2}) conversion, and more accurate modeling of by-product formation for the alternate methanol catalyst. The outstanding performance results of the LPMEOH{trademark} Process at Kingsport can be attributed in large part to the body of work performed since 1981 in collaboration between the U.S. Department of Energy (DOE) and Air Products. In addition, a pilot-plant-tested LPDME{trademark} Process has been demonstrated, and the product cost of DME from coal-derived syngas can be competitive in certain locations and applications. The need for liquid fuels will continue to be a critical concern for this nation in the 21st century. Efforts are needed to ensure the development and demonstration of economically competitive, efficient, environmentally responsible technologies that produce clean fuels and chemicals from coal under DOE's Vision 21 concept. These liquids will be a component of the fuel mix that will provide the transition from the current reliance on carbon-based fuels to the ultimate use of H{sub 2} as a means of energy transport. Indirect liquefaction, which converts the syngas (H{sub 2} and CO) produced by the gasification of coal to sulfur- and nitrogen-free liquid products, is a key component of the Vision 21 initiative. The results from this current program provide continued support to the objectives for the conversion of domestic coal to electric power and co-produced clean liquid fuels and chemicals in an environmentally superior manner.

Peter J. Tijrn

2003-05-31T23:59:59.000Z