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1

Butyl benzyl phthalate suppresses the ATP-induced cell proliferation in human osteosarcoma HOS cells  

Science Conference Proceedings (OSTI)

Butyl benzyl phthalate (BBP), an endocrine disruptor present in the environment, exerts its genomic effects via intracellular steroid receptors and elicits non-genomic effects by interfering with membrane ion-channel receptors. We previously found that BBP blocks the calcium signaling coupled with P2X receptors in PC12 cells (Liu and Chen, 2006). Osteoblast P2X receptors were recently reported to play a role in cell proliferation and bone remodeling. In this present study, the effects of BBP on ATP-induced responses were investigated in human osteosarcoma HOS cells. These receptors mRNA had been detected, named P2X4, P2X7, P2Y2, P2Y4, P2Y5, P2Y9, and P2Y11, in human osteosarcoma HOS cells by RT-PCR. The enhancement of cell proliferation and the decrease of cytoviability had both been shown to be coupled to stimulation via different concentrations of ATP. BBP suppressed the ATP-induced calcium influx (mainly coupled with P2X) and cell proliferation but not the ATP-induced intracellular calcium release (mainly coupled with P2Y) and cytotoxicity in human osteosarcoma HOS cells. Suramin, a common P2 receptor's antagonist, blocked the ATP-induced calcium signaling, cell proliferation, and cytotoxicity. We suggest that P2X is mainly responsible for cell proliferation, and P2Y might be partially responsible for the observed cytotoxicity. BBP suppressed the calcium signaling coupled with P2X, suppressing cell proliferation. Since the importance of P2X receptors during bone metastasis has recently become apparent, the possible toxic risk of environmental BBP during bone remodeling is a public problem of concern.

Liu, P.-S., E-mail: pslediting@mail.scu.edu.t [Department of Microbiology, Soochow University, Shihlin, Taipei, Taiwan (China); Chen, C.-Y. [Department of Microbiology, Soochow University, Shihlin, Taipei, Taiwan (China)

2010-05-01T23:59:59.000Z

2

Nickel-Catalyzed Heck-Type Reactions of Benzyl Chlorides and Simple Olefins  

E-Print Network (OSTI)

Nickel-catalyzed intermolecular benzylation and heterobenzylation of unactivated alkenes to provide functionalized allylbenzene derivatives are described. A wide range of both the benzyl chloride and alkene coupling partners ...

Matsubara, Ryosuke

3

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

4

Benzyl-Functionalized Room Temperature Ionic Liquids for CO2/N2 Separation  

Science Conference Proceedings (OSTI)

In this work, three classes of room temperature ionic liquids (RTILs), including imidazolium, pyridinium, and pyrrolidinium ionic liquids with a benzyl group appended to the cation, were synthesized and tested for their performance in separating CO{sub 2} and N{sub 2}. All RTILs contained the bis(trifluoromethylsulfonyl)imide anion, permitting us to distinguish the impact of the benzyl moiety attached to the cation on gas separation performance. In general, the attachment of the benzyl group increased the viscosity of the ionic liquid compared with the unfunctionalized analogs and decreased the CO{sub 2} permeability. However, all of the benzyl-modified ionic liquids exhibited enhanced CO{sub 2}/N{sub 2} selectivities compared with alkyl-based ionic liquids, with values ranging from 22.0 to 33.1. In addition, CO{sub 2} solubilities in the form of Henry's constants were also measured and compared with unfunctionalized analogs. Results of the membrane performance tests and CO{sub 2} solubility measurements demonstrate that the benzyl-functionalized RTILs have significant potential for use in the separation of carbon dioxide from combustion products.

Mahurin, Shannon Mark [ORNL; Dai, Thomas N [ORNL; Yeary, Joshua S [ORNL; Luo, Huimin [ORNL; Dai, Sheng [ORNL

2011-01-01T23:59:59.000Z

5

Room Temperature Aging Study of Butyl O-rings  

Science Conference Proceedings (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. All butyl o-rings molded from a proprietary formulation throughout the period circa 1999 through 2001 had less than a full cure. Tests showed that sealing force values for these suspect o-rings were much lower than expected and their physical properties were very sensitive to further post curing at elevated temperatures. Further testing confirmed that these o-rings were approximately 50% cured versus the typical industry standard of > 90% cured. Despite this condition, all suspect o-rings fully conformed to their QC acceptance requirements, including their individual product drawing requirements.

Mark Wilson

2009-08-07T23:59:59.000Z

6

Effects of simulant mixed waste on EPDM and butyl rubber  

Science Conference Proceedings (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

7

Enhanced diisobutene production in the presence of methyl tertiary butyl ether  

DOE Patents (OSTI)

In the liquid phase reaction of isobutene in the presence of resin cation exchange resins with itself in a C[sub 4] hydrocarbon stream to form dimers, the formation of higher polymers, oligomers, and co-dimer by-products is suppressed by the presence of 0.0001 to 1 mole per mole of isobutene of methyl tertiary butyl ether. 1 fig.

Smith, L.A. Jr.

1983-03-01T23:59:59.000Z

8

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 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). AEO2006 assumes that all State MTBE bans prohibit the use of all ethers for gasoline blending.

Information Center

2006-02-01T23:59:59.000Z

9

Use of a Balloon and N-Butyl-2-Cyanoacrylate for Treatment of Arteriovenous Fistula  

Science Conference Proceedings (OSTI)

We report a patient who developed a large arteriovenous fistula in right lower extremity after gunshot injury. Because other endovascular methods failed, the patient was successfully treated with concomitant use of detachable latex balloon and N-butyl-2-cyanoacrylate (NBCA). The combination of detachable balloon and NBCA can be effectively used for endovascular treatment of peripheral arteriovenous fistulas in selected cases when effective embolization could not be achieved with other embolizing agents or their various combinations.

Doenmez, Halil, E-mail: hdonmez68@yahoo.com; Mavili, Ertugrul [Erciyes University Medical Faculty, Department of Radiology (Turkey); Toker, Birguel; Oztuerk, M. Halil; Soylu, Serra O.; Hekimoglu, Baki [SB Diskapi Yildirim Beyazit Egitim ve Arastirma Hastanesi, Department of Radiology (Turkey)

2008-07-15T23:59:59.000Z

10

Comprehensive testing to measure the response of butyl rubber to Hanford tank waste simulant  

Science Conference Proceedings (OSTI)

This report presents the findings of the Chemical Compatibility Program developed to evaluate plastic packaging components that may be incorporated in packaging mixed-waste forms for transportation. Consistent with the methodology outlined in this report, the authors performed the second phase of this experimental program to determine the effects of simulant Hanford tank mixed wastes on packaging seal materials. That effort involved the comprehensive testing of five plastic liner materials in an aqueous mixed-waste simulant. The testing protocol involved exposing the materials to {approximately}143, 286, 571, and 3,670 krad of gamma radiation and was followed by 7-, 14-, 28-, 180-day exposures to the waste simulant at 18, 50, and 60 C. Butyl rubber samples subjected to the same protocol were then evaluated by measuring seven material properties: specific gravity, dimensional changes, mass changes, hardness, compression set, vapor transport rates, and tensile properties. From the analyses, they determined that butyl rubber has relatively good resistance to radiation, this simulant, and a combination of these factors. These results suggest that butyl rubber is a relatively good seal material to withstand aqueous mixed wastes having similar composition to the one used in this study.

NIGREY,PAUL J.

2000-05-01T23:59:59.000Z

11

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

SciTech Connect

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

12

Hydrogen Oxidation Catalysis by a Nickel Diphosphine Complex with Pendant tert-Butyl Amines  

DOE Green Energy (OSTI)

A bis-diphosphine nickel complex with t-butyl functionalized pendant amines [Ni(PCy2Nt-Bu2)2]2+ has been synthesized. It is a highly active electrocatalyst for the oxidation of hydrogen in the presence of base. The turn-over rate of 50 s 1 under 1.0 atm H2 at a potential of –0.77 V vs the ferrocene couple is 5 times faster than the rate reported heretofore for any other molecular H2 oxidation catalyst. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. Computational resources were provided by the Environmental Molecular Science Laboratory (EMSL) and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory.

Yang, Jenny Y.; Chen, Shentan; Dougherty, William G.; Kassel, W. S.; Bullock, R. Morris; DuBois, Daniel L.; Raugei, Simone; Rousseau, Roger J.; Dupuis, Michel; Rakowski DuBois, Mary

2010-11-09T23:59:59.000Z

13

Method for photochemical reduction of uranyl nitrate by tri-N-butyl phosphate and application of this method to nuclear fuel reprocessing  

DOE Patents (OSTI)

Uranyl ion in solution in tri-n-butyl phosphate is readily photochemically reduced to U(IV). The product U(IV) may effectively be used in the Purex process for treating spent nuclear fuels to reduce Pu(IV) to Pu(III). The Pu(III) is readily separated from uranium in solution in the tri-n-butyl phosphate by an aqueous strip.

De Poorter, Gerald L. (Los Alamos, NM); Rofer-De Poorter, Cheryl K. (Los Alamos, NM)

1978-01-01T23:59:59.000Z

14

Molecular Dynamics Simulation of Tri-n-Butyl-Phophate Liquid: A Force Field Comparative Study  

SciTech Connect

Molecular dynamics (MD) simulations were conducted to compare the performance of four force fields in predicting thermophysical properties of tri-n-butyl-phosphate (TBP) in the liquid phase. The intramolecular force parameters used were from the Assisted Model Building with Energy Refinement (AMBER) force field model. The van der Waals parameters were based on either the AMBER or the Optimized Potential for Liquid Simulation (OPLS) force fields. The atomic partial charges were either assigned by performing quantum chemistry calculations or utilized previously published data, and were scaled to approximate the average experimental value of the electric dipole moment. Canonical ensemble computations based on the aforementioned parameters were performed near the atmospheric pressure and temperature to obtain the electric dipole moment, mass density, and self-diffusion coefficient. In addition, the microscopic structure of the liquid was characterized via pair correlation functions between selected atoms. It has been demonstrated that the electric dipole moment can be approximated within 1% of the average experimental value by virtue of scaled atomic partial charges. The liquid mass density can be predicted within 0.5-1% of its experimentally determined value when using the corresponding charge scaling. However, in all cases the predicted self- diffusion coefficient is significantly smaller than a commonly quoted experimental measurement; this result is qualified by the fact that the uncertainty of the experimental value was not available.

Cui, Shengting [ORNL; de Almeida, Valmor F [ORNL; Hay, Benjamin [ORNL; Ye, Xianggui [ORNL; Khomami, Bamin [ORNL

2012-01-01T23:59:59.000Z

15

Ethyl-tertiary-butyl-ether (ETBE) as an aviation fuel: Eleventh international symposium on alcohol fuels  

DOE Green Energy (OSTI)

This paper discusses the preliminary flight testing of an aircraft using neat burning ethyl-tertiary-butyl-ether (ETBE) as a fuel. No additional changes were made to the fuel delivery systems which had previously been modified to provide the higher fuel flow rates required to operate the engine on neat ethanol. Air-fuel ratios were manually adjusted with the mixture control. This system allows the pilot to adjust the mixture to compensate for changes in air density caused by altitude, pressure and temperature. The engine was instrumented to measure exhaust gas temperatures (EGT), cylinder head temperatures (CHT), and fuel flows, while the standard aircraft instruments were used to collect aircraft performance data. Baseline engine data for ETBE and Avgas are compared. Preliminary data indicates the technical and economic feasibility of using ETBE as an aviation fuel for the piston engine fleet. Furthermore, the energy density of ETBE qualifies it as a candidate for a turbine engine fuel of which 16.2 billion gallons are used in the US each year.

Maben, G.D.; Shauck, M.E.; Zanin, M.G.

1996-12-31T23:59:59.000Z

16

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

Science Conference Proceedings (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

17

Adsorption of organic molecules at the mercury-solution interface: effect of anion specific adsorption on double layer properties. [Benzyl alcohol  

Science Conference Proceedings (OSTI)

Adsorption of iso-pentanol, pentanoic acid, and benzyl alcohol at the mercury-solution interface was studied in HC1O/sub 4/, H/sub 2/SO/sub 4/, NaNO/sub 3/, and NaF electrolytes. The Frumkin isotherm equation Ba = (theta/(1-theta))exp(2..cap alpha..theta) together with the implied charge vs. surface excess relation: q = (1-theta)q/sub w/ + thetaQ were used to analyze the experimental data. Linear charge vs surface excess plots were obtained for the aliphatic compounds over the entire potential region studied; for benzyl alcohol, plots were linear only at anodic potentials. The slopes of these lines agreed with those predicted by the above equation, with Q = C/sub org/(V-V/sub n/), for cathodic potentials. At potentials anodic to the electrocapillary maximum, deviations between experimental and theoretical slopes appeared. In the model proposed, the double layer consists of two parts. The layer closest to the surface is restricted to water molecules and specifically adsorbed ions. The second layer contains organic molecules exclusively; any charge necessary to balance the surface charge is considered to be in a monolayer adjacent to the organic layer. From the slope of the charge vs surface excess plots, it is possible to calculate the charge on the covered portion of the surface and then calculate the amount of specific adsorption. The relative amounts of specific adsorption are in agreement with known strengths of adsorption of the anions of the electrolyte. Capacity curves were also calculated and were in good agreement with experimental curves.

Buckfelder, J.J. III

1980-08-01T23:59:59.000Z

18

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

19

Determination of Methyl tert-Butyl Ether and tert-Butyl Alcohol in Water by Solid-Phase Microextraction/Head Space Analysis in Comparison to EPA Method 5030/8260B  

DOE Green Energy (OSTI)

Methyl tert-butyl ether (MTBE) is now one of the most common groundwater contaminants in the United States. Groundwater contaminated with MTBE is also likely to be contaminated with tert-butyl alcohol (TBA), because TBA is a component of commercial grade MTBE, TBA can also be used as a fuel oxygenate, and TBA is a biodegradation product of MTBE. In California, MTBE is subject to reporting at concentrations greater than 3 {micro}g/L. TBA is classified as a ''contaminant of current interest'' and has a drinking water action level of 12 {micro}g/L. In this paper, we describe the development and optimization of a simple, automated solid phase microextraction (SPME) method for the analysis of MTBE and TBA in water and demonstrate the applicability of this method for monitoring MTBE and TBA contamination in groundwater, drinking water, and surface water. In this method, the headspace (HS) of a water sample is extracted with a carboxen/polydimethylsiloxane SPME fiber, the MTBE and TBA are desorbed into a gas chromatograph (GC), and detected using mass spectrometry (MS). The method is optimized for the routine analysis of MTBE and TBA with a level of quantitation of 0.3 {micro}g/L and 4 {micro}g/L, respectively, in water. MTBE quantitation was linear for over two orders of concentration (0.3 {micro}g/L -80 {micro}g/L). TBA was found to be linear within the range of 4 {micro}g/L-7,900 {micro}g/L. The lower level of detection for MTBE is 0.03 {micro}g/L using this method. This SPME method using headspace extraction was found to be advantageous over SPME methods requiring immersion of the fiber into the water samples, because it prolonged the life of the fiber by up to 400 sample analyses. This is the first time headspace extraction SPME has been shown to be applicable to the measurement of both MTBE and TBA at concentrations below regulatory action levels. This method was compared with the certified EPA Method 5030/8260B (purge-and-trap/GC/MS) using split samples from laboratory bioreactors treating MTBE contaminated water and applied to environmental samples collected throughout the East Bay area of California. Results from the SPME-HS/GC/MS method were directly comparable to the EPA Method 5030/8260B. This method provides an simple, inexpensive, accurate, and sensitive alternative to EPA Method 5030/8260B for the analysis of MTBE and TBA in water samples.

Oh, Keun-Chan; Stringfellow, William T.

2003-10-02T23:59:59.000Z

20

Understanding the redox shuttle stability of 3,5-di-tert-butyl-1,2-dimethoxybenzene for overcharge protection of lithium-ion batteries.  

DOE Green Energy (OSTI)

3,5-di-tert-butyl-1,2-dimethoxybenzene (DBDB) has been synthesized as a new redox shuttle additive for overcharge protection of lithium-ion batteries. DBDB can easily dissolve in carbonate-based electrolytes, which facilitates its practical use in lithium-ion batteries; however, it has poor electrochemical stability compared to 2,5-di-tert-butyl-1,4-dimethoxybenzene (DDB). The structures of DBDB and DDB were investigated using X-ray crystallography and density functional calculations. The structures differ in the conformations of the alkoxy bonds probably due to the formation of an intramolecular hydrogen bond in the case of DBDB. We investigated reaction energies for decomposition pathways of neutral DBDB and DDB and their radical cations and found little difference in the reaction energies, although it is clear that kinetically, decomposition of DBDB is more favorable.

Zhang, Z.; Zhang, L.; Schlueter, J. A.; Redfern, P. C.; Curtiss, L.; Amine, K.

2010-01-01T23:59:59.000Z

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.


21

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

Science Conference Proceedings (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

22

Synthesis of octane enhancers during slurry-phase Fischer-Tropsch. [801Methyl tert-butyl ether  

DOE Green Energy (OSTI)

The objective of this project is to investigate three possible routes to the formation of ethers, in particular methyl tert-butyl ether (MTBE), during slurry phase Fischer-Tropsch reaction. The three reaction schemes to be investigated are: (1) Addition of isobutylene during the formation of methanol and/or higher alcohols directly from CO and H{sub 2} during slurry-phase Fischer-Tropsch. (2) Addition of isobutylene to FT liquid products including alcohols in a slurry-phase reactor containing an MTBE or other acid catalyst. (3) Addition of methanol to slurry phase FT synthesis making iso-olefins. During the sixth quarter we completed the construction of the slurry bubble column reactor (SBCR), conducted initial shake-down experiments in a cold-flow mode, and finalized the selection process of the acid catalysts for conversion of syngas-produced alcohols and isobutylene to MTBE (scheme 2). Tasks 3, 4, and 5 are awaiting complete implementation of the SBCR system.

Marcelin, G.

1992-06-24T23:59:59.000Z

23

Mathematical simulation and X-ray diffraction investigation of the crystal structure of 1-phenyl-1-tert-butyl-3-methyl-1,3-dihydroisobenzofuran  

SciTech Connect

An algorithm for using a priori generation of crystal structures by the discrete modeling method for the interpretation of data obtained from single-crystal X-ray diffraction experiments is considered. The crystal structure of 1-phenyl-1-tert-butyl-3-methyl-1,3-dihydroisobenzofuran is mathematically simulated using the discrete modeling of molecular packings and studied by X-ray diffraction. The simulation is performed for two isomers of the initial chemical compound that are possible from the viewpoint of the mechanism of the chemical reaction used in the synthesis of this compound. Appropriate models that can serve as starting models for solving and refining the crystal structure with the use of X-ray diffraction data are chosen from a complete set of calculated structural models in accordance with specific criteria. The structure is solved using a starting model calculated using the discrete modeling method and refined by the full-matrix least-squares procedure.

Maleev, A. V., E-mail: andr_mal@mail.ru; Zhitkov, I. K.; Potekhin, K. A. [Vladimir State Pedagogical University (Russian Federation)

2008-07-15T23:59:59.000Z

24

Effect of Gradient Sequencing on Copolymer Order?Disorder Transitions: Phase Behavior of Styrene/n-Butyl Acrylate Block and Gradient Copolymers  

SciTech Connect

We investigate the effect of gradient sequence distribution in copolymers on order-disorder transitions, using rheometry and small-angle X-ray scattering to compare the phase behavior of styrene/n-butyl acrylate (S/nBA) block and gradient copolymers. Relative to block sequencing, gradient sequencing increases the molecular weight necessary to induce phase segregation by over 3-fold, directly consistent with previous predictions from theory. Results also suggest the existence of both upper and lower order-disorder transitions in a higher molecular weight S/nBA gradient copolymer, made accessible by the shift in order-disorder temperatures from gradient sequencing. The combination of transitions is speculated to be inaccessible in S/nBA block copolymer systems due to their overlap at even modest molecular weights and also their location on the phase diagram relative to the polystyrene glass transition temperature. Finally, we discuss the potential impacts of polydispersity and chain-to-chain monomer sequence variation on gradient copolymer phase segregation.

Mok, Michelle M.; Ellison, Christopher J.; Torkelson, John M. (NWU); (UMM)

2012-11-14T23:59:59.000Z

25

Solvent extraction of technetium from alkaline waste media using bis-4,4{prime}(5{prime})[(tert-butyl)cyclohexano]-18-crown-6  

SciTech Connect

The crown ether bis-4,4`(5`)[(tert-butyl)cyclohexano]-18-crown-6 can be utilized in a solvent-extraction process for the removal of technetium as pertechnetate ion, TcO{sub 4}{sup {minus}} from solutions simulating highly radioactive alkaline defense wastes (``tank wastes``) stored at several sites in the United States. The process employs non-halogenated and non-volatile diluents and modifiers and includes an efficient stripping procedure using only water. More than 95% of the pertechnetate present at 6 {times} 10{sup {minus}5} M in Melton Valley (Oak Ridge, TN) and Hanford (Washington) tank-waste simulants was removed following two cross-current extraction contacts using 0.02 M bis-4,4`(5`)[(tertbutyl)cyclohexano]- 18-crown-6 in 2:1 vol/vol TBP/Isopar{reg_sign} M diluent at 25 C. Similarly, for both simulants, more than 98% of the pertechnetate contained in the solvent was back-extracted following two cross-current stripping contacts using deionized water.

Bonnesen, P.V.; Presley, D.J.; Moyer, B.A.

1995-07-01T23:59:59.000Z

26

Liver Hypertrophy After Percutaneous Portal Vein Embolization: Comparison of N-Butyl-2-Cyanocrylate Versus Sodium Acrylate-Vinyl Alcohol Copolymer Particles in a Swine Model  

Science Conference Proceedings (OSTI)

Purpose: Percutaneous portal vein embolization (PPVE) induces hypertrophy of the future liver remnant before hepatic resection. The ideal embolic material has not yet been determined. We compared N-butyl-2-cyanocrylate (NBCA) with sodium acrylate-vinyl alcohol copolymer particles using a swine model. Materials and Methods: Twelve pigs underwent PPVE. Six pigs (group A) were embolized with NBCA, and 6 pigs (group B) were embolized with sodium acrylate-vinyl alcohol copolymer particles. Computed tomographic volumetry of the embolized lobe (EL) and the nonembolized lobe (NEL), along with liver function tests, was performed before and at 14 and 28 days after embolization. Tissue samples from both lobes were taken 14 and 28 days after PPVE. Results: NEL-volume and NEL-ratio increases were significantly higher in group A at 14 and 28 days after PPVE (78 and 52% and 91 and 66%, respectively) than in group B (32 and 12% and 28 and 10%, respectively) (p < 0.05). Percent change of the EL-volume was significantly higher for group A at 28 days after PPVE. No statistically significant difference was found between the groups regarding hepatocyte proliferation on the NEL and apoptosis on the EL at both time intervals. Conclusion: PPVE using NBCA is more efficient and causes more NEL hypertrophy than microspheres.

Tsoumakidou, Georgia, E-mail: gtsoumakidou@yahoo.com [National and Kapodistrian University of Athens, 2nd Department of Radiology, Medical School, General University Hospital Attikon (Greece); Theocharis, Stamatis, E-mail: theocharis@ath.forthnet.gr [National and Kapodistrian University of Athens, Department of Forensic Medicine and Toxicology, Medical School (Greece); Ptohis, Nikolaos, E-mail: nikptohis@yahoo.gr; Alexopoulou, Efthimia, E-mail: ealex64@hotmail.com [National and Kapodistrian University of Athens, 2nd Department of Radiology, Medical School, General University Hospital Attikon (Greece); Mantziaras, George, E-mail: gmantziaras@yahoo.com [Academy of Athens, Biomedical Research Foundation (Greece); Kelekis, Nikolaos L., E-mail: kelnik@med.uoa.gr; Brountzos, Elias N., E-mail: ebrountz@med.uoa.gr [National and Kapodistrian University of Athens, 2nd Department of Radiology, Medical School, General University Hospital Attikon (Greece)

2011-10-15T23:59:59.000Z

27

Is Embolization of the Pancreas Safe? Pancreatic Histological Changes after Selective Transcatheter Arterial Embolization with N-Butyl Cyanoacrylate in a Swine Model  

SciTech Connect

Purpose: This study was designed to evaluate the safety of selective transcatheter arterial embolization (TAE) with N-butyl cyanoacrylate (NBCA) in a swine model in terms of histological changes in the pancreas. Methods: Three groups of two female swine (58-64 kg) per group underwent TAE of the dorsal pancreatic artery, under anesthesia, with 1:1, 1:4, and 1:9 mixtures of NBCA and iodized oil. Blood parameters were evaluated at days 1, 4, and 10 after TAE, after which the animals were sacrificed and pancreatic tissues were examined under light microscopy. Results: All of the animals were asymptomatic and survived for 10 days. Cone beam computed tomographic angiography revealed occlusion of the dorsal pancreatic artery and no enhancement in the embolized area. The white blood cell count and C-reactive protein level were elevated slightly on day 1 after TAE (mean {+-} SD: 252.7 {+-} 27.8 Multiplication-Sign 10{sup 2}/{mu}l and 0.15 {+-} 0.07 mg/l, respectively), but they normalized or remained near the upper normal limit thereafter. The serum amylase and lipase levels also were elevated on day 1 (8831.7 {+-} 2169.2 U/l and 130 {+-} 53.4 U/l, respectively) but normalized thereafter. Histologically, necrosis and fibrosis were noted only in the embolized segment, and necrosis and acute inflammatory reactions were absent in the nonembolized segment. The border between both segments was well defined. Lymphocytic infiltration and foreign body reaction were noted around the embolized vessels. Conclusions: Selective TAE with NBCA in the pancreas caused localized ischemic necrosis without clinically significant pancreatitis; therefore, this procedure is tolerable in swine.

Okada, Takuya, E-mail: okabone@gmail.com; Yamaguchi, Masato [Kobe University Graduate School of Medicine, Department of Radiology (Japan); Takahashi, Takuya [Kobe Red Cross Hospital, Department of Pathology (Japan); Izaki, Kenta; Uotani, Kensuke; Sakamoto, Noriaki; Sugimura, Kazuro; Sugimoto, Koji [Kobe University Graduate School of Medicine, Department of Radiology (Japan)

2012-02-15T23:59:59.000Z

28

Silver  

Science Conference Proceedings (OSTI)

Table 5   Corrosion resistance of silver in organic compounds...2 Benzaldehyde, pure and aqueous Boiling Benzene, pure Boiling <0.05 2 Benzotrifluoride, pure Boiling <0.05 2 Benzyl chloride, pure 180 355 <0.05 2 -bromoisovaleryl bromide, pure 100 212 <0.05 2 -bromoisovaleryl urea, pure Melting point <0.05 2 Butyl acetate, pure Boiling <0.05 2 Butyl alcohol,...

29

Refinery & Blenders Net Input of Methyl Tertiary Butyl Ether ...  

U.S. Energy Information Administration (EIA)

-No Data Reported; --= Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Notes: RBOB with Ether, RBOB ...

30

Experimental Pathology Laboratories, Inc. Ethyl-Tertiary-Butyl Ether  

E-Print Network (OSTI)

a plantation about 15-year-old in the Les Cedres area, near Montreal (45820H N, 73854H W). Trees in open

Bandettini, Peter A.

31

Treatment of Methyl tert-Butyl Ether Vapors in Biotrickling Filters. 2.  

E-Print Network (OSTI)

will controlled by diffusion in the biofilm near the outlet of the reactor. A fundamental parameter and control in bioreactors equipped with some degree of instrumentation, fundamental knowledge for the proper handbook of physical-chemical properties and environmental fate for organic chemicals, Volume III. Volatile

32

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

E-Print Network (OSTI)

, weed-eater, shovel, and a rake. A chipper, compost bin, or a large rented trash dumpster may be useful

33

Spinning Carbon Fiber Precursors from 1-Butyl-3-Methylimidazolium Chloride Cellulose Solutions.  

E-Print Network (OSTI)

??Cellulose is an abundant natural renewable polymer that is used in the production of many materials. However, limited processibility and reduced solubility have restricted its… (more)

Gelderloos-Sammons, Rhea J

2007-01-01T23:59:59.000Z

34

Molecular motions in a viscous organic liquid: ferrocene in cold butyl phthalate  

SciTech Connect

The two main purposes of this work were to learn (a) if rotational diffusion can be seen along with translational, and (b) is (x(T)/sup 2/) unusual as the sample is heated from a glass to a liquid. Our observations show that (a) rotational molecular diffusion is not likely ever to be observed by quadrupole relaxation and (b) that there is indeed a fast increase in (x/sup 2/) above T/sub g/. This increase is correlated with a rapid and linear increase of the number of ''soft modes'' for the liquid above the glass transition temperature.

Ruby, S.L.; Zabransky, B.J.; Flinn, P.A.

1976-01-01T23:59:59.000Z

35

CHARACTERIZATION AND TRIBOLOGICAL EVALUATION OF 1-BENZYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE AS NEAT LUBRICANT AND OIL ADDITIVE  

Science Conference Proceedings (OSTI)

Selected physical and chemical properties and tribological data for a newly-developed, imidazolium-based ionic liquid (IL) are presented. The IL is soluble in the SAE 5W-30 oil up to a certain weight percentage, and is as a promising candidate for use in lubrication applications, either in its neat version or as an oil additive. Characterization of the IL included dynamic viscosity at different temperatures, corrosion effects on cast iron cylinder liners, and thermal stability analysis. The tribological performance was evaluated using a reciprocating ring-on-liner test arrangement. When used in neat version this IL demonstrated friction coefficient comparable to a fully formulated engine oil, and when used as an oil additive it produced less wear.

Bansal, Dinesh G [ORNL; Qu, Jun [ORNL; Yu, Bo [ORNL; Luo, Huimin [ORNL; Dai, Sheng [ORNL; Bunting, Bruce G [ORNL; Blau, Peter Julian [ORNL; Mordukhovich, Gregory [GM R& D and Planning, Warren, Michigan; Smolenski, Donald [GM R& D and Planning, Warren, Michigan

2011-01-01T23:59:59.000Z

36

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

E-Print Network (OSTI)

of benzene to phenol, catechol, and 1,2,3-trihydroxybenzeneof benzene to phenol (and catechol), and toluene toa multi-component PH, catechol 2,3-dioxygenase and the meta-

2007-01-01T23:59:59.000Z

37

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

E-Print Network (OSTI)

and Energy Research (NIPER), 2) the Motor Vehicle Manufacturers Association (MVMA), and 3) the U interested in fuel comparisons Thousands each year Motor Vehicle Manufacturers Association (MVMA) National gasoline survey Motor Vehicle Manufacturers Association 23 cities throughout the U.S. Summer of 1988

38

Influence of temperature on the extraction of Pu(IV) by tri-n-butyl phosphate from acidic nitrate solutions.  

E-Print Network (OSTI)

??The goal of Advanced Fuel Cycle Initiative program is to efficiently separate and recover actinides in attempts to reprocess irradiated nuclear fuel and reduce the… (more)

[No author

2010-01-01T23:59:59.000Z

39

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

E-Print Network (OSTI)

by pure cultures of butane-degrading bacteria. Appl.of K s values for MTBE by butane- degrading bacteria (52).

2007-01-01T23:59:59.000Z

40

The Friction and Wear Behaviors of (quinazolin-4-ones)-3-methyl-butyl Borate as Additive in Liquid Paraffin  

Science Conference Proceedings (OSTI)

There has been growing concern for the use of mineral oils because of the worldwide interest in environmental issues. This has promoted the use of ash less additives as environmental friendly lubricants. A potential ash less additive containing N, B, ... Keywords: Synthesis, Quinazolin-4-ones, Borate, Additive, Friction and wear behaviors

Ouyang Ping; Zhang Xianming

2011-01-01T23:59:59.000Z

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.


41

Extraction of Am(III) from nitric acid by octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide-tri-n-butyl phosphate mixtures  

SciTech Connect

The extraction behavior of Am(III) from nitric acid by octyl(phenyl)-N,N-diisobutylcarbamoylmethyphosphine oxides, O0D(IB)CMPO, in the presence of tributylphosphate, TBP, has been studied using diethylbenzene, decalin, and normal aliphatic hydrocarbon diluents. Relative to O0D(IB)CMPO alone, mixtures of TBP and O0D(IB)CMPO show a slight enhancement in the extraction of Am(III) from nitric acid solution above 2 M and a moderate decrease in extraction for lower acid concentrations. The net effect of TBP addition to O0D(IB)CMPO (as well as other selected carbamoylmethylphosphoryl extractants) is a relative insensitivity of the distribution ratio of Am(III) to HNO/sub 3/ concentration in the range of 0.5 M to 6 M and facilitated stripping of Am(III) with dilute acid. Since a continuous variation study of Am(III) extraction using mixtures of O0D(IB)CMPO and TBP at a fixed total concentration revealed no evidence of a mixed complex, the TBP appears to be behaving primarily as a phase modifier. The most significant benefit gained from addition of TBP to O0D(IB)CMPO is the increased metal ion loading capacity and extractant compatibility with alicyclic and aliphatic diluents. The use of TBP to overcome phase compatibility with other bifunctional extractants of the carbamoylmethylphosphoryl type and the use of other phase modifiers with O0D(IB)CMPO have also been investigated. 15 references, 7 figures, 2 tables.

Horwitz, E.P.; Kalina, D.G.

1984-01-01T23:59:59.000Z

42

Results of Reference List Query  

Science Conference Proceedings (OSTI)

... 1991) (54-1333 keV: acetophenone, acetylacetone, bakelite, benzaldehyde, benzyl alcohol, cellulose-triacetate, ethanol, ether, ethylacetoacetate ...

43

Nickel-Catalyzed Enantioselective Negishi Cross-Couplings of Racemic Secondary alpha-Bromo Amides with Alkylzinc Reagents: (S)-N-Benzyl-7-cyano-2-ethyl-N-phenylheptanamide  

E-Print Network (OSTI)

Procedure: A. (5-Cyanopentyl)zinc(II) bromide (1). An oven-dried, 200-mL pear-shaped Schlenk flask equipped with a magnetic stirbar (egg shaped, 25.4 × 12.7 mm) and an argon line connected to the standard taper outer joint ...

Lou, Sha

44

Effects of Oilseed Meals and Isothiocyanates (ITCS) on Phymatotrichopsis omnivora (Cotton Root Rot) and Soil Microbial Communities  

E-Print Network (OSTI)

The meals from many oilseed crops contain biocidal chemicals that are known to inhibit the growth and activity of several soil pathogens, though little is known concerning impacts on whole soil microbial communities. We investigated the effect of oilseed meals (SMs) from both brassicaceous plants, including mustard and camelina, as well as non-brassicaceous plants, including jatropha and flax, on P. omnivora (the casual agent of cotton root rot) in Branyon clay soil (at 1 and 5% application rates). We also investigated the effect of SMs from camelina, jatropha, flax, and wheat straw on microbial communities in Weswood loam soil. We also used four types of isothiocyanates (ITCs) including allyl, butyl, phenyl, and benzyl ITC to test their effects on P. omnivora growth on potato dextrose agar (PDA), as well as on soil microbial communities in a microcosm study. Community qPCR assays were used to evaluate relative abundances of soil microbial populations. Soil microbial community composition was determined through tag-pyrosequencing using 454 GS FLX titanium technology, targeting ITS and 16S rRNA gene regions for fungal and bacterial communities, respectively. The results showed that all tested brassicaceous and jatropha SMs were able to inhibit P. omnivora sclerotial germination and hyphal growth, with mustard SM being the most effective. Flax didn't show any inhibitory effects on sclerotial germination. All tested ITCs inhibited P. omnivora OKAlf8 hyphal growth, and the level of inhibition varied with concentration and ITC type. Total soil fungal populations were reduced by ITC addition, and microbial community compositions were changed following SM and ITC application. These changes varied according to the type of SM or ITC added. Our results indicated that SMs of several brassicaceous species as well as jatropha may have potential for reducing cotton root rot as well as some other pathogens. Different SMs releasing varied ITCs may result in differential impacts on soil microorganisms including some pathogens.

Hu, Ping

2012-05-01T23:59:59.000Z

45

Artificial Cells for Advanced Drug Delivery - Energy ...  

The zinc salt may be zinc nitrate hexahydrate, the first additive may be benzyl alcohol and the second additive may be urea. ... manufacturing, ...

46

Stabilization of Nickel Complexes with Ni0•••H-N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands  

Science Conference Proceedings (OSTI)

The series of complexes Ni(P{sub 2}{sup tBu}N{sub 2}{sup R}), [Ni(P{sub 2}{sup tBu}N{sub 2}{sup R}){sub 2}]BF{sub 4}, [HNi(P{sub 2}{sup tBu}N{sub 2}{sup Ph}){sub 2}]BF{sub 4}, and [Co(P{sub 2}{sup tBu}N{sub 2}{sup Ph}){sub 2}]BF{sub 4} (P{sub 2}{sup tBu}N{sub 2}{sup R} = 1,5-dialkyl-3,7-tert-butyl-1,5-diaza-3,7-diphosphacyclooctane; alkyl (R) = phenyl, benzyl) have been synthesized and characterized. Spectroscopic, electrochemical, and X-Ray diffraction studies indicate these complexes are stable as a result of the tetrahedral arrangement of the two diphosphine ligands. Electrochemical oxidation of [HNi(P{sub 2}{sup tBu}N{sub 2}{sup Ph}){sub 2}]BF{sub 4} results in rapid proton transfer from nickel at a rate faster that can be observed on the CV timescale. Double protonation of Ni(P{sub 2}{sup tBu}N{sub 2}{sup BN}){sub 2} forms the endo-endo, endo exo, and exo-exo isomers of [Ni(P{sub 2}{sup tBu}N{sup BN}HN{sup BN}){sub 2}](BF{sub 4}){sub 2}, which were found to be more stable towards loss of H{sub 2} than previously observed for similar complexes. The presence of Ni{sup 0} {hor_ellipsis} HN bonds at the endo-protonation sites of [Ni(P{sub 2}{sup tBu}N{sup Bn}HN{sup BN}){sub 2}](BF{sub 4}){sub 2} results in significant differences in the Ni(I/0) oxidation potentials of each of the isomers. The differences in E{sub 1/2}(I/0) values correspond to bond free energies of 7.4 and 3.7 kcal/mol for the first and second Ni{sup 0} {hor_ellipsis} HN bonds of the endo-exo and endo-endo isomers, respectively. Computational studies of related model complexes reproduce these Ni{sup 0} {hor_ellipsis} HN bonds within 1-2 kcal/mol.

Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. S.; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, Mary; DuBois, Daniel L.

2012-01-09T23:59:59.000Z

47

Rapid brain scanning radiopharmaceutical  

DOE Patents (OSTI)

A method for detecting the blood flow in animals, particularly in the brain, is provided wherein a detectable amount of a novel radioactive compound of the formula I is administered to one animal: ##STR1## wherein R.sub.1 and R.sub.2 are independently alkyl of 1 to 6 carbon atoms or benzyl; R.sub.3 is alkyl of 1 to 6 carbon atoms, benzyl, cyclopropylalkyl of 4 to 6 carbon atoms, or cyanoalkyl of 2 to 6 carbon atoms; R.sub.4 is hydrogen, benzyl or alkyl of 1 to 6 carbon atoms; with the provisos that R.sub.4 is not isopropyl and when R.sub.4 is methyl, R.sub.3 is not benzyl; and X is a radioactive halogen.

Sargent, III, Thornton W. (Berkeley, CA); Shulgin, Alexander T. (Lafayette, CA); Mathis, Chester A. (Oakland, CA)

1987-01-01T23:59:59.000Z

48

Piezoelectricity of hollow cylindrical near-field electrospinning PBLG fiber arrays for energy harvesting from biological flight.  

E-Print Network (OSTI)

??In this study, a cylindrical near-field electrospinning (CNFES) process and the Taguchi methods were used to fabricate permanent piezoelectricity of poly(Îł-benzyl α, L-glutamate) (PBLG) piezoelectric… (more)

Li, Hui-wen

2013-01-01T23:59:59.000Z

49

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

50

Stephanie L. Outcalt  

Science Conference Proceedings (OSTI)

... The instrument has also been used to measure the solubility of carbon dioxide, propane, propene, butane, and 1-butene in the ionic liquid 1-butyl-3 ...

2012-12-20T23:59:59.000Z

51

Scalable Modeling of Carbon Tetrachloride Migration in the ...  

27 combined with lard oil, tributyl phosphate (TBP) and dibutyl butyl phosphonate 28 (DBBP). ... giving the computer 11.8 TFlops peak theoretical ...

52

xml version="1.0" encoding="UTF-8"?>

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

Gulf Coast (PADD 3) Exports of Crude Oil and Petroleum Products  

U.S. Energy Information Administration (EIA)

Area: Period-Unit: Download Series History ... 51: 64: 59: 70: 70: 62: 2009-2013: Methyl Tertiary Butyl Ether (MTBE) 41: 44: 49: 61: 49: 50: 2004-2013: Other ...

62

U.S. Oxygenate Production - Energy Information Administration  

U.S. Energy Information Administration (EIA)

Area: Apr-13 May-13 Jun-13 Jul-13 Aug-13 Sep-13 View History; Fuel Ethanol: 855: 877: 891: 868: 849: 852: 1981-2013: Methyl Tertiary Butyl Ether (MTBE) 48: 55: 54: 51 ...

63

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations  

E-Print Network (OSTI)

We investigated the cathodic and anodic limits of six room-temperature ionic liquids (ILs) formed from a combination of two common cations, 1-butyl-3-methylimidazolium (BMIM) and N,N-propylmethylpyrrolidinium (P13), and ...

Ong, Shyue Ping

64

Chemical Hygiene and Safety Plan  

E-Print Network (OSTI)

towards shop operations. H-1 Chemic_l Hygiene and Safety ,of this section, any chemic:ads per kflop'am of body welshtUNSUPPORTED CHEMIC. -M. VITON NITrlI.E NATI'R.4I. BUTYL

Ricks Editor, R.

2009-01-01T23:59:59.000Z

65

Radiation Chemistry of MTBE in Aqueous Solution  

NLE Websites -- All DOE Office Websites (Extended Search)

Methyl-tert-Butyl Ether (MTBE) in Aqueous Solution Stephen P. Mezyk, Jace Jones, William J. Cooper, Thomas Tobien, Michael G. Nickelsen, J. Wesley Adams, Kevin E. O'Shea, David M....

66

Effect of ultrasonic irradiation on preparation and properties of ionogels  

Science Conference Proceedings (OSTI)

Silica-gel matrices containing ionic liquid (IL) 1-butyl-3-methylimidazolium hexafluorophosphate viz. ionogels have been synthesized using one-pot nonhydrolytic sol-gel method and taking tetraethyl orthosilicate (TEOS) as starting precursor. Effect of ...

Yogendra Lal Verma; Manish Pratap Singh; Rajendra Kumar Singh

2012-01-01T23:59:59.000Z

67

Incorporation of silica into baroplastic core-shell nanoparticles  

E-Print Network (OSTI)

Core-shell baroplastics are nanophase materials that exhibit pressure-induced flow at low temperatures and high pressures. Core-shell baroplastics used in this work are comprised of a low Tg poly(butyl acrylate) (PBA) core ...

Hewlett, Sheldon A

2006-01-01T23:59:59.000Z

68

Preparations for Meeting New York and Connecticut MTBE Bans  

Reports and Publications (EIA)

In response to a Congressional request, EIA examined the progress being made to meet the bans on the use of methyl tertiary butyl ether (MTBE) being implemented in New York and Connecticut at the end of 2003.

Joanne Shore

2003-10-01T23:59:59.000Z

69

35461,"AECTRA REFG & MKTG",1,152,"MOTOR GAS, OTHER FINISHED"...  

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

TERTIARY BUTYL ETHER (MTBE)",2809,"SANFRANCISCO, CA","CALIFORNIA",5,515,"KOREA, REPUBLIC OF",32,0,0,"WICKLAND OIL CO","SELBY TERM","CA","CALIFORNIA",5...

70

Microstructural Stability and Creep of Ru-Containing Nickel-Base ...  

Science Conference Proceedings (OSTI)

distilled water and 65 ml butyl cellusolve. .... The creep curves of UM-F27 and UM -F30 ..... Larson Miller curves of commercial alloys were plotted with data.

71

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

72

Acceptorless Photocatalytic Dehydrogenation for Alcohol Decarbonylation and Imine Synthesis  

Science Conference Proceedings (OSTI)

It has come to light: Renewed interest in conversions of highly oxygenated materials has motivated studies of the organometallic-catalyzed photocatalytic dehydrogenative decarbonylation of primary alcohols into alkanes, CO, and H2 (see scheme). Methanol, ethanol, benzyl alcohol, and cyclohexanemethanol are readily decarbonylated. The photocatalysts are also active for amine dehydrogenation to give N-alkyl aldimines and H2.

Ho, Hung-An; Manna, Kuntal; Sadow, Aaron D.

2012-07-29T23:59:59.000Z

73

Facile and Fast Pinacol Rearrangement by AlCl3 in the Solid State  

E-Print Network (OSTI)

Abstract: A facile and efficient synthetic procedure for effecting the pinacol rearrangement catalyzed by AlCl3 in the absence of solvent is developed. The rearrangement product is obtained at room temperature in a few minutes and in almost quantitative yield. Benzylic pinacols rearrange under these conditions, while aliphatic pinacols do not react.

Parviz Rashidi-ranjbar; Ebrahim Kianmehr

2001-01-01T23:59:59.000Z

74

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).

75

Better Methods for Predicting Lifetimes of Seal Materials  

Science Conference Proceedings (OSTI)

We have been working for many years to develop better methods for predicting the lifetimes of polymer materials. Because of the recent interest in extending the lifetimes of nuclear weapons and the importance of environmental seals (o-rings, gaskets) for protecting weapon interiors against oxygen and water vapor, we have recently turned our attention to seal materials. Perhaps the most important environmental o-ring material is butyl rubber, used in various military applications. Although it is the optimum choice from a water permeability perspective, butyl can be marginal from an aging point-of-view. The purpose of the present work was to derive better methods for predicting seal lifetimes and applying these methods to an important butyl material, Parker compound B6 12-70.

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

1999-03-16T23:59:59.000Z

76

Simultaneous pore enlargement and introduction of highly dispersed Fe active sites in MSNs for enhanced catalytic activity  

Science Conference Proceedings (OSTI)

An effective post-hydrothermal treatment strategy has been developed to dope highly dispersed iron catalytical centers into the framework of mesoporous silica, to keep the particle size in nanometric scale, and in the meanwhile, to expand the pore size of the synthesized mesoporous silica nanoparticles (MSNs). Characterization techniques such as XRD, BET, SEM and TEM support that the synthesized samples are long period ordered with particles size about 100 nm and a relatively large pore size of ca. 3.5 nm. UV-vis, XPS and EPR measurements demonstrate that the introduced iron active centers are highly dispersed in a coordinatively unsaturated status. NH{sub 3}-TPD verifies that the acid amount of iron-doped MSNs is quite high. The synthesized nanocatalysts show an excellent catalytic performance for benzylation of benzene by benzyl chloride, and they present relatively higher yield and selectivity to diphenylmethane with a lower iron content and much shorter reaction time. - Graphical abstract: Uniform MSNs with iron active centers and large pore size have been prepared by a newly developed strategy, which demonstrates enhanced catalytic performance for benzylation of benzene by benzyl chloride. Highlights: Black-Right-Pointing-Pointer Iron species were introduced into the framework of mesoporous silica nanoparticles with uniform dispersion. Black-Right-Pointing-Pointer The pore sizes of the synthesized nanocatalysts were expanded. Black-Right-Pointing-Pointer The acidic site quantities were quite high and the acidic centers were accessible. Black-Right-Pointing-Pointer The nanocatalysts presented higher yield and selectivity to diphenylmethane with significantly lower Fe content.

Gu Jinlou, E-mail: jinlougu@ecust.edu.cn [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Dong Xu [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Elangovan, S.P. [Nippon Chemical Industries Co. Ltd., Tokyo 136-8515 (Japan); Li Yongsheng; Zhao Wenru [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Iijima, Toshio; Yamazaki, Yasuo [Nippon Chemical Industries Co. Ltd., Tokyo 136-8515 (Japan); Shi Jianlin, E-mail: jlshi@mail.sic.ac.cn [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); State Key Laboratory of High Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

2012-02-15T23:59:59.000Z

77

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

Science Conference Proceedings (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

78

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

79

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

80

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

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

EVALUATION OF GLOVEBOX GLOVES FOR EFFECTIVE PERMEATION CONTROL  

DOE Green Energy (OSTI)

A research and development task was undertaken to determine the permeabilities of hydrogen and dry air through different polymeric glove materials that are used to maintain the integrity of glovebox secondary containment. Fifteen different glove samples were obtained from four different manufacturers and samples cut from these gloves were tested. The gloves included baseline butyl rubber, Viton{reg_sign}, Dupont{reg_sign} Hypalon{reg_sign}, polyurethane, as well as composite gloves. The testing indicated that all of the vendor's butyl rubber gloves and the Jung Viton{reg_sign} gloves performed comparably in both gases.

Korinko, P.

2012-02-29T23:59:59.000Z

82

FCC LPG olefinicity and branching enhanced by octane catalysts  

SciTech Connect

Refiners are increasingly recognizing the downstream opportunities for fluid catalytic cracking LPG olefins for the production of methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE, if the ethanol subsidy is extended to the production of ETBE), and as petrochemical feedstocks. Some of new gasoline FCC octane-enhancing catalysts can support those opportunities because their low non-framework alumina (low NFA) preserve both LPG olefinicity and promote branching of the LPG streams from the FCCU. The combined effect results in more isobutane for alkylate feed, more propylene in the propane/propylene stream, and more isobutene - which makes the addition of an MTBE unit very enticing.

Keyworth, D.A.; Reid, T.A.; Kreider, K.R.; Yatsu, C.A.

1989-05-29T23:59:59.000Z

83

Radioisotope Thermoelectric Generator Package O-Ring Seal Material Validation Testing  

DOE Green Energy (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

84

Photocatabolism of aromatic compounds by the phototrophic purple bacterium Rhodomicrobium vannielii  

Science Conference Proceedings (OSTI)

The phototrophic purple non-sulfur bacterium Thodomicrobium vannielii grew phototrophically (illuminated anaerobic conditions) on a variety of aromatic compounds (in the presence of CO{sub 2}). Benzoate was universally photocatabolized by all five strains of R. vannielii examined, and benzyl alcohol was photocatabolized by four of the five strains. Catabolism of benzyl alcohol by phototrophic bacteria has not been previously reported. Other aromatic substrates supporting reasonably good growth of R. vannielii strains were the methozylated benzoate derivatives vanillate (4-hydroxy-3-methoxybenzoate) and syringate (4-hydroxy-3,5-dimethoxybenzoate). However, catabolism of vanillate and syringate led to significant inhibition of bacteriochlorophyll synthesis in R. vannielii cells, eventually causing cultures to cease growing. No such effect on photopigment synthesis in cells grown on benzoate or benzyl alcohol was observed. Along with a handful of other species of anoxygenic phototrophic bacteria, the ability of the species R. vannielii to photocatabolize aromatic compounds indicates that this organism may also be ecologically significant as a consumer of aromatic derivatives in illuminated anaerobic habitats in nature.

Wright, G.E.; Madigan, M.T. (Southern Illinois Univ., Carbondale (USA))

1991-07-01T23:59:59.000Z

85

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

86

Lithium Diisopropylamide-Mediated Ortholithiations: Lithium Chloride Catalysis  

E-Print Network (OSTI)

Lithium Diisopropylamide-Mediated Ortholithiations: Lithium Chloride Catalysis Lekha Gupta, 2008 Ortholithiations of a range of arenes mediated by lithium diisopropylamide (LDA) in THF at -78 °C protocols with unpurified commercial samples of n-butyl- lithium to prepare LDA or commercially available

Collum, David B.

87

Development of Supported Polymeric Liquid Membrane Technology for Aqueous MTBE Mitigation  

Science Conference Proceedings (OSTI)

The use of MTBE (methyl tert-butyl ether) as a gasoline additive has generated a serious, widespread groundwater contamination problem in California. This study evaluated the use of supported polymeric liquid membrane technology in the remediation of MTBE contaminated groundwater.

2002-07-02T23:59:59.000Z

88

DIMENSIONS of DISCOVERY Sponsored Program Awards  

E-Print Network (OSTI)

, batteries, electro- magnetic shielding materials, artificial noses and muscles, solar cells, electrodes). The treatment of thiophene with butyl lithium provides 2,5-dilithiothiophene that can be polymerized with CuCl2 me- tallation of 15 with lithium diisopropylamide (LDA)[79,80] to generate 16. The organolithium

Ginzel, Matthew

89

Center for Energy Efficiency and Renewable Energy BBuuiillddiinngg EEnneerrggyy EEffffiicciieennccyy PPrrooggrraamm  

E-Print Network (OSTI)

Governor's Dr. Amherst, MA 01003-9265 PRELIMINARY REPORT Computer Modeling of Heat Transfer and Comparison The product selected for testing is a nominal 80'x80' aluminum horizontal sliding window. Thermo physical locations for a sill section is shown in Fig. 1. Glazing System EPDM Butyl Rubber Radiation Enclosure

Massachusetts at Amherst, University of

90

d'Ordre : D. U. 2255 Universit Blaise Pascal  

E-Print Network (OSTI)

-clayey in the upper horizons with increasing sand content with depth; they become coarse-textured with greater depth (>1 m: sand and gravel). More details on the study site are given else- where (Sanchez-Perez et al to a 150 ml gas tight glass jar equipped with a butyl rubber stopper. The experi- ment was started

91

Studies on the Extraction of Phenol from the Wastewater of Multi-generation System  

Science Conference Proceedings (OSTI)

Recovery of phenol from the wastewater produced in the multi-cogeneration system has been studied. Based on the experimental results and theoretical analysis, butyl acetate was selected as the extractant and 99.95% of the volatile phenols in the wastewater ... Keywords: phenol, solvent extraction, wastewater, multigeneration system, recycle

Zhenjing Shi; Mengxiang Fang; Chunguang Zhou; Qinghui Wang; Zhongyang Luo

2011-02-01T23:59:59.000Z

92

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.

Information Center

2003-04-01T23:59:59.000Z

93

Fatigue Crack Initiation in Nickel-Based Superalloy René 88 DT at ...  

Science Conference Proceedings (OSTI)

9% distilled water and 13% butyl cellosolve under conditions of. -35°C, 20V and ... The ultrasonic fatigue stress-life curve for René 88 DT at 593?C is shown in Figure 4 ... 600MPa. Figure 4. S-N data of Rene 88 DT at 593?C (Arrows indicate.

94

A Kinetic Modeling study on the Oxidation of Primary Reference Fuel?Toluene Mixtures Including Cross Reactions between Aromatics and Aliphatics  

DOE Green Energy (OSTI)

A detailed chemical kinetic model for the mixtures of Primary Reference Fuel (PRF: n-heptane and iso-octane) and toluene has been proposed. This model is divided into three parts; a PRF mechanism [T. Ogura et al., Energy & Fuels 21 (2007) 3233-3239], toluene sub-mechanism and cross reactions between PRF and toluene. Toluene sub-mechanism includes the low temperature kinetics relevant to engine conditions. A chemical kinetic mechanism proposed by Pitz et al. [Proc. the 2nd Joint Meeting of the U.S. Combust. Institute (2001)] was used as a starting model and modified by updating rate coefficients. Theoretical estimations of rate coefficients were performed for toluene and benzyl radical reactions important at low temperatures. Cross-reactions between alkane, alkene, and aromatics were also included in order to account for the acceleration by the addition of toluene into iso-octane recently found in the shock tube study of the ignition delay [Y. Sakai et al, SAE 2007-01-4014 (2007)]. Validations of the model were performed with existing shock tube and flow tube data. The model well predicts the ignition characteristics of toluene and PRF/Toluene mixtures under the wide range of temperatures (500-1700 K) and pressures (2-50 atm). It is found that reactions of benzyl radical with oxygen molecule determine the reactivity of toluene at low temperature. Although the effect of toluene addition to iso-octane is not fully resolved, the reactions of alkene with benzyl radical have the possibility to account for the kinetic interactions between PRF and toluene.

Sakai, Y; Miyoshi, A; Koshi, M; Pitz, W J

2008-01-09T23:59:59.000Z

95

Assessing Natural Isothiocyanate Air Emissions after Field Incorporation of Mustard Cover Crop  

Science Conference Proceedings (OSTI)

A regional air assessment was performed to characterize volatile natural isothiocyanate (NITC) compounds in air during soil incorporation of mustard cover crops in Washington State. Field air sampling and analytical methods were developed specific to three NITCs known to be present in air at appreciable concentrations during/after field incorporation. The maximum observed concentrations in air for the allyl, benzyl, and phenethyl isothiocyanates were respectively 188, 6.1, and 0.7 lg m-3 during mustard incorporation. Based on limited inhalation toxicity information, airborne NITC concentrations did not appear to pose an acute human inhalation exposure concern to field operators and bystanders.

Trott, Donna M.; LePage, Jane; Hebert, Vincent

2012-01-01T23:59:59.000Z

96

Publications  

NLE Websites -- All DOE Office Websites (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

97

Publications  

NLE Websites -- All DOE Office Websites (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

98

Physical Properties of Ionic Liquids  

NLE Websites -- All DOE Office Websites (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

99

Recombination of Photogenerated Lophyl Radicals in Imidazolium-Based ILs  

NLE Websites -- All DOE Office Websites (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

100

New concept for coal wettability evaluation and modulation. Technical progress report, October 1, 1993--December 31, 1993  

SciTech Connect

This project is concerned concept for coal surface wettability evaluation and modulation. The objective of the work are to study the fundamental surface chemistry feature about the evaluation of the surface of coal, pyrite and coal pyrite, and also establish a new separation strategy which could contribute to the advanced coal cleaning for premium fuel application. In this quarter, the capillary rise of three coals, colorado mineral pyrite, and coal pyrite in butanol, pentanol, and butyl ether have been tested. The test results shown that the kinetic wettability of the five samples in the alcohol homolog are dependent on the carbon chain length, as the length of the carbon chain is shorter, the surface wettability is the better. Another test results shown that the kinetic wettability of coals are better than mineral pyrite and coal pyrite in the butyl ether.

Hu, Weibai

1993-12-31T23:59:59.000Z

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

Bulk Gold-Catalyzed Reactions of Isocyanides, Amines, and Amine N-Oxides  

Science Conference Proceedings (OSTI)

Bulk gold powder (5–50 ?m particles) catalyzes the reactions of isocyanides with amines and amine N-oxides to produce ureas. The reaction of n-butyl isocyanide (nBu–N?C) with di-n-propylamine and N-methylmorpholine N-oxide in acetonitrile, which was studied in the greatest detail, produced 3-butyl-1,1-dipropylurea (O?C(NHnBu)(NnPr2)) in 99% yield at 60 °C within 2 h. Sterically and electronically different isocyanides, amines, and amine N-oxides react successfully under these conditions. Detailed studies support a two-step mechanism that involves a gold-catalyzed reaction of adsorbed isocyanide with the amine N-oxide to form an isocyanate (RN?C?O), which rapidly reacts with the amine to give the urea product. These investigations show that bulk gold, despite its reputation for poor catalytic activity, is capable of catalyzing these reactions.

Klobukowski, Erik; Angelici, Robert; Woo, Keith L.

2012-01-26T23:59:59.000Z

102

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

103

Two US markets, or one? How the MTBE-gasoline relationship is evolving  

SciTech Connect

This issue of Energy Detente features the price sensitivity of Methyl Tertiary Butyl Ether. Data is presented for US wholesale gasoline prices vs. MTBE for the 20-month period beginning in June 1994 and ending in January 1996, and the data is discussed. Also contained in this issue is the refining netback data and the fuel price/tax data for the period ending January 5, 1996.

1996-01-26T23:59:59.000Z

104

An approach to catalytic asymmetric electrocyclization  

E-Print Network (OSTI)

petroleum ether 40-60 Ph phenyl ppm parts per million Pr propyl q quartet Rf retention factor rt room temperature s singlet sept septet t triplet t tertiary TBAF tetrabutylammonium fluoride TBS tert... demonstrated by Nelson.73 In this case, we observed the formation of lactone 75 by vinyl nucleophile addition to the corresponding aldehydes 71 and 72. We require a less basic source of vinyl anion, or a bulkier ester such as tert-butyl, to prevent any...

Kothari, Abhishek

2010-02-09T23:59:59.000Z

105

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

106

Method for the concentration and separation of actinides from biological and environmental samples  

DOE Patents (OSTI)

A method and apparatus for the quantitative recover of actinide values from biological and environmental sample by passing appropriately prepared samples in a mineral acid solution through a separation column of a dialkyl(phenyl)-N,N-dialylcarbamoylmethylphosphine oxide dissolved in tri-n-butyl phosphate on an inert substrate which selectively extracts the actinide values. The actinide values can be eluted either as a group or individually and their presence quantitatively detected by alpha counting. 3 figs.

Horwitz, E.P.; Dietz, M.L.

1989-05-30T23:59:59.000Z

107

Reactive formulations for a neutralization of toxic industrial chemicals  

DOE Patents (OSTI)

Decontamination formulations for neutralization of toxic industrial chemicals, and methods of making and using same. The formulations are effective for neutralizing malathion, hydrogen cyanide, sodium cyanide, butyl isocyanate, carbon disulfide, phosgene gas, capsaicin in commercial pepper spray, chlorine gas, anhydrous ammonia gas; and may be effective at neutralizing hydrogen sulfide, sulfur dioxide, formaldehyde, ethylene oxide, methyl bromide, boron trichloride, fluorine, tetraethyl pyrophosphate, phosphorous trichloride, arsine, and tungsten hexafluoride.

Tucker, Mark D. (Albuqueruqe, NM); Betty, Rita G. (Rio Rancho, NM)

2006-10-24T23:59:59.000Z

108

Method for the concentration and separation of actinides from biological and environmental samples  

DOE Patents (OSTI)

A method and apparatus for the quantitative recover of actinide values from biological and environmental sample by passing appropriately prepared samples in a mineral acid solution through a separation column of a dialkyl(phenyl)-N,N-dialylcarbamoylmethylphosphine oxide dissolved in tri-n-butyl phosphate on an inert substrate which selectively extracts the actinide values. The actinide values can be eluted either as a group or individually and their presence quantitatively detected by alpha counting.

Horwitz, E. Philip (Naperville, IL); Dietz, Mark L. (Tucson, AZ)

1989-01-01T23:59:59.000Z

109

Adsorption of anionic and cationic surface-active agents by natural coals  

SciTech Connect

Adsorption isotherms were measured in terms of isopropyl-, butyl- and pentyl-amine and isopropyl alcohol for gas coals and anthracite. It was shown that the amount of adsorption depends on the type of coal and the structure of the adsorbate molecules. Cationic surfactants tend to be adsorbed better than anionic. The paper calculates the standard reduction in free energy during adsorption of amines by coal. It was found that the amine adsorption process leads to an increase in pH.

Butuzova, L.F.; Isaeva, L.N.; Saranchuk, V.I.

1983-01-01T23:59:59.000Z

110

Exam 1, Chemistry 210, Dr. Rainer Glaser, W97, MU --1 --Chemistry 210Chemistry 210  

E-Print Network (OSTI)

,4-dimethyl-octane (4 points) 7-tert.-butyl-4-iso.-propyl-3,5-decadiene (3 pts) H O butanal (3 pts) O ethylmethylketone Condensed structural formula of n-butane. (2 pts) H3C-CH2-CH2-CH3 Bond line structure of butane. (2 pts) Newman projection of gauche butane along the central C2-C3 bond. (4 pts) H H Me Me H H

Glaser, Rainer

111

Update of Summer Reformulated Gasoline Supply Assessment for New York and Connecticut  

Reports and Publications (EIA)

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) 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.

Information Center

2004-05-01T23:59:59.000Z

112

Treatment of biomass gasification wastewaters using liquid-liquid extraction  

DOE Green Energy (OSTI)

Pacific Northwest Laboratory (PNL) investigated liquid-liquid extraction as a treatment method for biomass gasification wastewaters (BGW). Distribution coefficients for chemical oxygen demand (COD) removal were determined for the following solvents: methylisobutyl ketone (MIBK), n-butyl acetate, n-butanol, MIBK/n-butyl acetate (50:50 vol), MIBK/n-butanol (50:50 vol), tri-butyl phosphate, tri-n-octyl phosphine oxide (TOPO)/MIBK (10:90 wt), TOPO/kerosene (10:90 wt), kerosene, and toluene. The best distribution coefficient of 1.3 was given by n-butanol. Chemical analysis of the wastewater by gas chromatography (GC) showed acetic acid and propionic acid concentrations of about 4000 mg/1. Methanol, ethanol, and acetone were identified in trace amounts. These five compounds accounted for 45% of the measured COD of 29,000 mg/1. Because of the presence of carboxylic acids, pH was expected to affect extraction of the wastewater. At low pH the acids should be in the acidic form, which increased extraction by MIBK. Extraction by n-butanol was increased at high pH, where the acids should be in the ionic form.

Bell, N.E.

1981-09-01T23:59:59.000Z

113

Effects of Structural Modification on Ionic Liquid Physical Properties  

NLE Websites -- All DOE Office Websites (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

114

Printed in Great Britain 107 The Decomposition of Toluene by Soil Bacteria  

E-Print Network (OSTI)

Strains of two bacteria, a Pseudomonas and an Achromobacter, which grow with toluene, benzene or certain other related aromatic compounds as sole carbon source were isolated from soil. The use of aromatic compounds by these bacteria was an induced phenomenon. Toluene-grown organisms oxidized without lag toluene, benzene, catechol, &methylcatechol, benzyl alcohol and, more slowly, o- and m-cresol, but not benzaldehyde or benzoic acid. 3-Methylcatechol, acetic acid, pyruvic acid, and a yellow ether-soluble acidic substance which was colourless in acid solution, were detected in toluene-oxidizing cultures. Acetic and pyruvic acids were also formed during the bacterial oxidation of 8-methylcatechol. 3-Methylcatechol is probably an early stage in the bacterial metabolism of toluene; benzaldehyde and benzoic acid seem not to be intermediates in this metabolism.

D. Claus

1964-01-01T23:59:59.000Z

115

Method for detecting toxic gases  

DOE Patents (OSTI)

A method capable of detecting low concentrations of a pollutant or other component in air or other gas, utilizing 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, and an electrochemical sensor responsive 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.

Stetter, Joseph R. (Naperville, IL); Zaromb, Solomon (Hinsdale, IL); Findlay, Jr., Melvin W. (Bolingbrook, IL)

1991-01-01T23:59:59.000Z

116

Studies of coupled chemical and catalytic coal conversion methods  

SciTech Connect

When an arene is coordinated to Cr(CO){sub 3}, profound changes in its reactivity occur. Ring and benzylic hydrogen atoms exhibit enhanced acidity, and typical arene reactions such as electrophilic aromatic substitutions are quenched. In contrast, the ring carbon atoms are activated toward attack by nucleophiles. These changes in reactivity are manifestations of the forceful electron withdrawing nature of the Cr(CO){sub 3} component, and of the ability of this group to stabilize charged intermediates. In addition, arenechromium tricarbonyl complexes have been proven to be good catalysts in the hydrogenation of dienes. While most simple complexes such as toluenechromium tricarbonyl require the use of high temperatures and dihydrogen pressures, arenechromium tricarbonyl complexes with napthalene, anthracene, and phenanthrene show remarkable activity under extremely mild conditions. An investigation has been under way in which the chemistry of coal arene-Cr(CO){sub 3} complexes have been studied. 4 figs.

Stock, L.M.

1991-01-01T23:59:59.000Z

117

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

Science Conference Proceedings (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

118

Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines  

SciTech Connect

In this study, we report the synthesis and characterization of molybdenum bis(dinitrogen) complexes supported by two PNP diphosphine ligands, Mo(N{sub 2}){sub 2}(PNP){sub 2}; PNP = [(R{sub 2}PCH{sub 2}){sub 2}N(R'), R = Et (ethyl), Ph (phenyl); R'= Me (methyl), Bn (benzyl)], and a series of tungsten bis(dinitrogen) complexes containing one or two PNP ligands, W(N{sub 2}){sub 2}(dppe)(PNP) and W(N{sub 2}){sub 2}(PNP){sub 2}, respectively, and the analogues complexes without pendant amines for comparison. These Mo- and W-N{sub 2} complexes were characterized by NMR, IR, spectroscopy, cyclic voltammetry and structurally characterized by X-ray crystallography. In addition, reactivity of the complexes with CO is described.

Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. S.; Helm, Monte L.; DuBois, Daniel L.; Bullock, R. Morris

2012-04-30T23:59:59.000Z

119

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

120

Kinetics and Mechanism of Hydrogen-Atom Abstraction from Rhodium Hydrides by Alkyl Radicals in Aqueous Solutions  

DOE Green Energy (OSTI)

The kinetics of the reaction of benzyl radicals with [L{sup 1}(H{sub 2}O)RhH{l_brace}D{r_brace}]{sup 2+} (L{sup 1}=1,4,8,11-tetraazacyclotetradecane) were studied directly by laser-flash photolysis. The rate constants for the two isotopologues, k=(9.3 {+-} 0.6) x 10{sup 7} M{sup -1} s{sup -1} (H) and (6.2 {+-} 0.3) x 10{sup 7} M{sup -1} s{sup -1} (D), lead to a kinetic isotope effect k{sub H}/k{sub D}=1.5 {+-} 0.1. The same value was obtained from the relative yields of PhCH{sub 3} and PhCH{sub 2}D in a reaction of benzyl radicals with a mixture of rhodium hydride and deuteride. Similarly, the reaction of methyl radicals with {l_brace}[L{sup 1}(H{sub 2}O)RhH]{sup 2+} + [L{sup 1}(H{sub 2}O)RhD]{sup 2+}{r_brace} produced a mixture of CH{sub 4} and CH{sub 3}D that yielded k{sub H}/k{sub D}=1.42 {+-} 0.07. The observed small normal isotope effects in both reactions are consistent with reduced sensitivity to isotopic substitution in very fast hydrogen-atom abstraction reactions. These data disprove a literature report claiming much slower kinetics and an inverse kinetic isotope effect for the reaction of methyl radicals with hydrides of L{sup 1}Rh.

Pestovsky, Oleg; Veysey, Stephen W.; Bakac, Andrej

2011-03-22T23:59:59.000Z

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.


121

Improved Synthesis of [Si6Cl14]2-Salts as Precursors for Si6H12and other Novel Silanes  

DOE Green Energy (OSTI)

The reaction of excess HSiCl{sub 3} with the aforementioned triamines led to the formation of [Si{sub 6}Cl{sub 14}]{sup 2-} containing salts in all instances. The isolated complex salts were characterized using FT-IR and elemental analysis. IR spectra of these compounds showed characteristic Si-H stretching modes around 2100cm{sup -1} due to the hexacoordinate silane cation and Si-Cl active modes near 528cm{sup -1} as a result of the cyclic dianion. Reaction yields and elemental analysis (CHN) of the salts are summarized in a table. The reaction of peralkylated triamines with HSiCl{sub 3} in dry CH{sub 2}Cl{sub 2} gives ionic compounds based upon the tetradecachlorocyclohexasilane dianion. Several substituted triamines(R{sub 2}NC{sub 2}H{sub 4}NR{prime}C{sub 2}H{sub 4}NR{sub 2}where R = R{prime} = Et, {sup n}Pr; R = Et, R{prime}= {sup n}Bu, {sup n}Hexyl, Benzyl) were examined for this reaction and N,N,N{prime},N{prime}-tetraethyl-N{sup {double_prime}}-benzyl-diethylenetriamine produced the best yields of [Si{sub 6}Cl{sub 14}]{sup 2-} salt at 23% based on the amine reagent. This improvement in yield could be attributed to the decreased nucleophilicity of the central amine through increased steric hindrance of the alkyl substituents. The overall consequence of this substituent variation study has revealed new reagents for the synthesis of [Si{sub 6}Cl{sub 14}]{sup 2-} salts and further demonstrated the ability of triamines to efficiently dismutate, complex, and condense chlorosilanes. The increased production of these salts has also opened a route for the study of Si{sub 6}X{sub 12} and its Lewis acid/base adducts.

Kenneth Anderson; Xuliang Dai; Kendric Nelson; Doug Schulz; Philip Boudjouk

2009-08-18T23:59:59.000Z

122

A detailed kinetic modeling study of toluene oxidation in a premixed laminar flame  

DOE Green Energy (OSTI)

An improved chemical kinetic model for the toluene oxidation based on experimental data obtained in a premixed laminar low-pressure flame with vacuum ultraviolet (VUV) photoionization and molecular beam mass spectrometry (MBMS) techniques has been proposed. The present mechanism consists of 273 species up to chrysene and 1740 reactions. The rate constants of reactions of toluene, decomposition, reaction with oxygen, ipso-additions and metatheses with abstraction of phenylic H-atom are updated; new pathways of C{sub 4} + C{sub 2} species giving benzene and fulvene are added. Based on the experimental observations, combustion intermediates such as fulvenallene, naphtol, methylnaphthalene, acenaphthylene, 2-ethynylnaphthalene, phenanthrene, anthracene, 1-methylphenanthrene, pyrene and chrysene are involved in the present mechanism. The final toluene model leads to an overall satisfactory agreement between the experimentally observed and predicted mole fraction profiles for the major products and most combustion intermediates. The toluene depletion is governed by metathese giving benzyl radicals, ipso-addition forming benzene and metatheses leading to C{sub 6}H{sub 4}CH{sub 3} radicals. A sensitivity analysis indicates that the unimolecular decomposition via the cleavage of a C-H bond has a strong inhibiting effect, while decomposition via C-C bond breaking, ipso-addition of H-atom to toluene, decomposition of benzyl radicals and reactions related to C{sub 6}H{sub 4}CH{sub 3} radicals have promoting effect for the consumption of toluene. Moreover, flow rate analysis is performed to illustrate the formation pathways of mono- and polycyclic aromatics.

Tian, Z; Pitz, W J; Fournet, R; Glaude, P; Battin-Leclerc, F

2009-12-18T23:59:59.000Z

123

The Risk Assessment Information System  

NLE Websites -- All DOE Office Websites (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,

124

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.

125

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,

126

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,

127

List of Reproductive Toxins and Highly Acute Toxic Materials  

NLE Websites -- All DOE Office Websites (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

128

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.

Information Center

1999-10-01T23:59:59.000Z

129

Thermal energy storage material  

DOE Patents (OSTI)

A thermal energy storage material which is stable at atmospheric temperature and pressure and has a melting point higher than 32.degree.F. is prepared by dissolving a specific class of clathrate forming compounds, such as tetra n-propyl or tetra n-butyl ammonium fluoride, in water to form a substantially solid clathrate. The resultant thermal energy storage material is capable of absorbing heat from or releasing heat to a given region as it transforms between solid and liquid states in response to temperature changes in the region above and below its melting point.

Leifer, Leslie (Hancock, MI)

1976-01-01T23:59:59.000Z

130

Synthesis of octane enhancers during slurry-phase Fischer-Tropsch. Quarterly technical progress report No. 5, October 1, 1991--December 31, 1991  

DOE Green Energy (OSTI)

The objective of this project is to investigate three possible routes to the formation of ethers, in particular methyl tert-butyl ether (MTBE), during slurry phase Fischer-Tropsch reaction. The three reaction schemes to be investigated are: Addition of isobutylene during the formation of methanol and/or higher alcohols directly from CO and H{sub 2} during slurry-phase Fischer-Tropsch. Addition of isobutylene to FT liquid products including alcohols in a slurry-phase reactor containing an MTBE or other acid catalyst. Addition of methanol to slurry phase FT synthesis making iso-olefins.

Marcelin, G.

1992-06-10T23:59:59.000Z

131

Synthesis of octane enhancers during slurry-phase Fischer-Tropsch  

DOE Green Energy (OSTI)

The objective of this project is to investigate three possible routes to the formation of ethers, in particular methyl tert-butyl ether (MTBE), during slurry phase Fischer-Tropsch reaction. The three reaction schemes to be investigated are: Addition of isobutylene during the formation of methanol and/or higher alcohols directly from CO and H{sub 2} during slurry-phase Fischer-Tropsch. Addition of isobutylene to FT liquid products including alcohols in a slurry-phase reactor containing an MTBE or other acid catalyst. Addition of methanol to slurry phase FT synthesis making iso-olefins.

Marcelin, G.

1992-06-10T23:59:59.000Z

132

Lipid extraction from microalgae using a single ionic liquid  

DOE Patents (OSTI)

A one-step process for the lysis of microalgae cell walls and separation of the cellular lipids for use in biofuel production by utilizing a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium. The hydrophilic ionic liquid both lyses the microalgae cell walls and forms two immiscible layers, one of which consists of the lipid contents of the lysed cells. After mixture of the hydrophilic ionic liquid with a suspension of microalgae cells, gravity causes a hydrophobic lipid phase to move to a top phase where it is removed from the mixture and purified. The hydrophilic ionic liquid is recycled to lyse new microalgae suspensions.

Salvo, Roberto Di; Reich, Alton; Dykes, Jr., H. Waite H.; Teixeira, Rodrigo

2013-05-28T23:59:59.000Z

133

CASTING SLIPS FOR FABRICATION OF REFRACTORY METAL WARE  

DOE Patents (OSTI)

A composition is given for slip casting tungsten metal. The composition consists essentially of tungsten metal with an average particle size of 0.9 micron, an organic vehicle such as methyl chloroform, o-xylene, n-butyl acetate, isobutyl acetate, and 1, 1, 2, 2-tetrachlorethane, and a suspending agent such as ethyl cellulose, with the approximate ratio of said vehicle to the tungsten metal being 12 cc of a solution containing from 5 to about 20 grams of said ethyl cellulose in 400 cc of said organic vehicle per 100 grams of metal. (AEC)

Stoddard, S.D.; Nuckolls, D.E.; Cowan, R.E.

1962-09-01T23:59:59.000Z

134

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.

Information Center

1998-03-01T23:59:59.000Z

135

A study of the kinetics and mechanism of the adsorption and anaerobic partial oxidation of n-butane over a vanadyl pyrophosphate catalyst  

SciTech Connect

The interaction of n-butane with a ((VO){sub 2}P{sub 2}O{sub 7}) catalyst has been investigated by temperature-programmed desorption and anaerobic temperature-programmed reaction. n-Butane has been shown to adsorb on the (VO){sub 2}P{sub 2}O{sub 7} to as a butyl-hydroxyl pair. When adsorption is carried out at 223 K, upon temperature programming some of the butyl-hydroxyl species recombine resulting in butane desorption at 260 K. However, when adsorption is carried out at 423 K, the hydroxyl species of the butyl-hydroxyl pair migrate away from the butyl species during the adsorption, forming water which is detected in the gas phase. Butane therefore is not observed to desorb at 260 K after the authors lowered the temperature to 223 K under the butane/helium from the adsorption temperature of 423 K prior to temperature programming from that temperature to 1100 K under a helium stream. Anaerobic temperature-programmed oxidation of n-butane produces butene and butadiene at a peak maximum temperature of 1000 K; this is exactly the temperature at which, upon temperature programming, oxygen evolves from the lattice and desorbs as O{sub 2}. This, and the fact that the amount of oxygen desorbing from the (VO){sub 2}P{sub 2}O{sub 7} at {approximately}1000 K is the same as that required for the oxidation of the n-butane to butene and butadiene, strongly suggests (1) that lattice oxygen as it emerges at the surface is the selective oxidant and (2) that its appearance at the surface is the rate-determining step in the selective oxidation of n-butane. The surface of the (VO){sub 2}P{sub 2}O{sub 7} catalyst on which this selective oxidation takes place has had approximately two monolayers of oxygen removed from it by unselective oxidation of the n-butane to CO, CO{sub 2}, and H{sub 2}O between 550 and 950 K and has had approximately one monolayer of carbon deposited on it at {approximately}1000 K. It is apparent, therefore, that the original crystallography of the (VO){sub 2}P{sub 2}O{sub 7} catalyst will not exist during this selective oxidation and that theories that relate selectivity in partial oxidation to the (100) face of the (VO){sub 2}P{sub 2}O{sub 7} catalyst cannot apply in this case.

Sakakini, B.H.; Taufiq-Yap, Y.H.; Waugh, K.C.

2000-01-25T23:59:59.000Z

136

Responsive copolymers for enhanced petroleum recovery. Quarterly technical progress report, June 22, 1993 through September 22, 1993  

Science Conference Proceedings (OSTI)

This report summarizes technical progress on advanced copolymer synthesis and characterization of the molecular structure of copolymers to be used to enhanced recovery of petroleum. Polymers examined are acrylamide/acrylamido-3-methylbutanoic acid/N-(4-butyl)phenylacrylamide (AM/AMBA/BPAM) terpolymers, sodium 2-(acrylamido)-2-methylpropanesulfonate and (2-(acrylamido)-2-methylpropyl)trimethylammonium chloride (NaAMPS/AMPTAC) copolymers, AM/NaAMPS/AMPTAC terpolymers, and AM/APS (APS is 2-(1-pyrenylsulfonamido) ethyl acrylamide) copolymers. Polymer associative behavior and polymer solution behavior is characterized.

McCormick, C.; Hester, R.

1993-12-01T23:59:59.000Z

137

Synthesis, characterization and application of water-soluble and easily removable cationic pressure-sensitive adhesives. Quarterly technical report  

DOE Green Energy (OSTI)

The Institute studied the adsorption of cationic pressure-sensitive adhesive (PSA) on wood fiber, and the buildup of PSA in a closed water system during paper recycling; the results are presented. Georgia Tech worked to develop an environmentally friendly polymerization process to synthesize a novel re-dispersible PSA by co-polymerizing an oil-soluble monomer (butyl acrylate) and a cationic monomer MAEPTAC; results are presented. At the University of Georgia at Athens the project focused on the synthesis of water-soluble and easily removable cationic polymer PSAs.

NONE

1999-09-30T23:59:59.000Z

138

California's Move Toward E10 (released in AEO2009)  

Reports and Publications (EIA)

In AEO2009, E10a gasoline blend containing 10 percent ethanolis assumed to be the maximum ethanol blend allowed in California RFG, as opposed to the 5.7-percent blend assumed in earlier AEOs. The 5.7-percent 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 percent oxygen content under the CAA provisions in effect at that time

Information Center

2009-03-31T23:59:59.000Z

139

Fluorescent temperature sensor  

Science Conference Proceedings (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

140

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

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

Adipose tissue stearoyl-CoA desaturase 1 index is increased and linoleic acid is decreased in obesity-prone rats fed a high-fat diet  

E-Print Network (OSTI)

in the adipose tissue and whether these changes occur simul- taneously across lipid fractions. It has previously been found that a HFD, especially a diet rich in SFA, decreases SCD expression in both rat liver and adipose tissue [33,34]. A HFD has also been shown... of petroleum ether containing 0.005% butylated hydroxytolvene after addition of 1.5 ml distilled water. The phases were separated after thorough mixing and centrifugation at 1500 × g for 10 min. The petroleum ether phase was pipetted off and the solvent...

Cedernaes, Jonathan; Alsiö, Johan; Västermark, Ĺke; Risérus, Ulf; Schiöth, Helgi B

2013-01-08T23:59:59.000Z

142

Long-life high performance fuel cell program. Interim Report, 28 May 1981-31 October 1984  

SciTech Connect

A multihundred kilowatt Regenerative Fuel Cell for use in a space station is envisioned. Three 0.508 sq ft (471.9 cm) active area multicell stacks were assembled and endurance tested. The long term performance stability of the platinum on carbon catalyst configuration suitability of the lightweight graphite electrolyte reservoir plate, the stability of the free standing butyl bonded potassium titanate matrix structure, and the long life potential of a hybrid polysulfone cell edge frame construction were demonstrated. A 18,000 hour demonstration test of multicell stack to a continuous cyclical load profile was conducted. A total of 12,000 cycles was completed, confirming the ability of the alkaline fuel cell to operate to a load profile simulating Regenerative Fuel Cell operation. An orbiter production hydrogen recirculation pump employed in support of the cyclical load profile test completed 13,000 hours of maintenance free operation. Laboratory endurance tests demonstrated the suitability of the butyl bonded potassium matrix, perforated nickel foil electrode substrates, and carbon ribbed substrate anode for use in the alkaline fuel cell. Corrosion testing of materials at 250 F (121.1 C) in 42% wgt. potassium identified ceria, zirconia, strontium titanate, strontium zirconate and lithium cobaltate as candidate matrix materials.

Martin, R.E.

1985-02-01T23:59:59.000Z

143

Physicochemical properties and toxicities of hydrophobic piperidinium and  

NLE Websites -- All DOE Office Websites (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.

144

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)

145

Fused ring and linking groups effect on overcharge protection for lithium-ion batteries.  

DOE Green Energy (OSTI)

The derivatives of 1,3-benzodioxan (DBBD1) and 1,4-benzodioxan (DBBD2) bearing two tert-butyl groups have been synthesized as new redox shuttle additives for overcharge protection of lithium-ion batteries. Both compounds exhibit a reversible redox wave over 4 V vs Li/Li{sup +} with better solubility in a commercial electrolyte (1.2 M LiPF{sub 6}) dissolved in ethylene carbonate/ethyl methyl carbonate (EC/EMC 3/7) than the di-tert-butyl-substituted 1,4-dimethoxybenzene (DDB). The electrochemical stability of DBBD1 and DBBD2 was tested under charge/discharge cycles with 100% overcharge at each cycle in MCMB/LiFePO{sub 4} and Li{sub 4}Ti{sub 5}O{sub 12}/LiFePO{sub 4} cells. DBBD2 shows significantly better performance than DBBD1 for both cell chemistries. The structural difference and reaction energies for decomposition have been studied by density functional calculations.

Weng, W.; Zhang, Z.; Redfern, P. C.; Curtiss, L. A.; Amine, K.

2011-02-01T23:59:59.000Z

146

Catalytic conversion of light alkanes - phase V. Topical report, February 1993--October 1994  

SciTech Connect

We have made excellent progress toward a practical route from field butanes to MTBE, the oxygenate of choice for high-octane, clean-burning, environmentally acceptable reformulated gasoline. We have evaluated two proprietary process possibilities with a potential commercial partner and have conducted a joint catalyst evaluation program. The first of the two potential processes considered during the past quarter utilizes a two-step route from isobutane to tert-butyl alcohol, TBA. Not only is TBA an intermediate for MTBE production but is equally applicable for ETBE-an oxygenate which utilizes renewable ethanol in its` manufacture. In the two-step process, isobutane is oxidized in a non-catalytic reaction to a roughly equal mixture of TBA and tert-butyl hydroperoxide. TBHP, eq. 1. We have developed an inexpensive new catalyst system based on an electron-deficient macrocyclic metal complex that selectively converts TBHP to TBA, eq. 2, and meets or exceeds all of the process criteria that we have set.

1998-12-31T23:59:59.000Z

147

Radiation chemistry of alternative fuel oxygenates -- Substituted ethers  

DOE Green Energy (OSTI)

The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE).

Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

1999-11-15T23:59:59.000Z

148

Arco chimie focuses on PA at FOS  

Science Conference Proceedings (OSTI)

Arco Chimie France (Fos-sur-Mer), at a recent meeting at its southern France manufacturing site, emphasized that future strategy is strongly focused on its propylene oxide (PO) and derivatives activities. The F2.5 billion ($466 million)-Fe billion/year operation manufactures 200,000 m.t./year of PO, about 70% for captive use and the balance for the merchant market; 550,000 m.t./year of methyl tert butyl ether (MTBE); 97,000 m.t./year of polyols; and 70,000 m.t./year of propylene glycols. There has been talk of Arco modifying its Fos MTBE plant to make it flexible for ethyl tert-butyl ether (ETBE) output; the parent company already operates an MTBE/ETBE pilot unit at Corpus Christi, TX. But Arco Chimie notes there is insufficient bioethanol feedstock availability to convert all production to ETBE. The company would also require investment in new storage capacity for ethanol and ETBE. However, France's biofuels program is not yet clearly defined, and it is politically sensitive because it depends heavily on government subsidies offered to farmers. That, says Arco, makes it impossible to have an accurate idea of how much ethanol will be available.

Jackson, D.

1992-12-02T23:59:59.000Z

149

Health hazard evaluation report HETA 86-018-1758, Robbins and Myers, Incorporated, Moyno Products Division, Springfield, Ohio. [Vitiligo  

Science Conference Proceedings (OSTI)

In response to a request from Robbins and Myers, Inc., an investigation was made of a possible health hazard at its Moyno Products Division, Springfield, Ohio. A case of vitiligo, possibly related to working with rubber products in pump manufacture was identified by a dermatologist. Uncured and cured rubber was found to contain 2,4-di-tertiary-butyl-phenol (DTBP) (0.01 to 0.03%) and para-tertiary-butyl-phenol (too low to quantitate). This class of compounds has been associated with vitiligo. Medical survey and examinations revealed four cases of active vitiligo. Its presence was significantly associated with highest exposure to rubber. Rubber department workers had a 22-fold higher risk for the condition compared to other employees. Comparing the four observed cases with an expected 1.1 cases (Health and Nutrition Examination Survey) yielded a standardized morbidity ratio of 3.6. The authors conclude that exposure to DTBP in rubber is the cause of vitiligo in these workers. Recommendations include testing rubber samples for contaminants, modification of work practices, and medical screening of exposed workers.

O'Malley, M.A.; Mathias, C.G.T.

1986-12-01T23:59:59.000Z

150

Phase selectively soluble polymer supports to facilitate homogeneous catalysis  

E-Print Network (OSTI)

Soluble polymers that have phase selective solubility are useful in synthesis because they simplify purification and separation. Such selectively soluble polymers simplify catalyst, reagent, and product recovery and enable the use of Green chemistry principles in homogeneous catalysis. However, while homopolymers have been reported that have excellent thermal and phase-dependent solubility, less is known about copolymers. Also, less is known about the phase selective solubility of polar aprotic N,N-dialkyl polyacrylamides. This work describes a library synthesis of dye-labeled poly(N-n-octadecylacrylamide-co-N-n-butylacrylamide) copolymers and study of the effects of polymer composition in phase selective solubility of these copolymers. To study the relative importance of n-octadecyl versus n-butyl groups, copolymers with different ratios of n-octadecylacrylamide and n-butylacrylamide but with similar degrees of polymerization and polydispersity were prepared by a split-pool synthesis using a highly soluble poly(N-acryloxy-2-dodecylsuccinimide) as the precursor. Polymer sequestrants were used to remove excess amines and the byproduct N-hydroxyl-2- dodecylsuccinimide without fractionation of the polyacrylamides. Results demonstrated that poly(N-n-octadecylacrylamide-co-N-n-butylacrylamide) copolymers’ phase selective solubility is equally dependant of the polar n-butyl and nonpolar n-octadecyl groups on the copolymers. Dye-labeled poly(N,N-dialkylacrylamide)s prepared by the polymerization of N,N-dialkylacrylamides monomers with methyl, ethyl, propyl, butyl, hexyl, and dodecyl N-alkyl groups in a variety of thermomorphic or latent biphasic polar/nonpolar solvent mixtures were also prepared. Studies showed that poly(N,N-dialkylacrylamide)s have phase selective solubility that is highly dependent of the size of the N-alkyl group. Soluble polymers are known to be useful supports for catalysts. This thesis also describes approaches to immobilization of a variety of catalysts on polyisobutylene (PIB). The most effective of these catalysts were analogs of pyridyl N-oxides that have been used as organocatalysts for the catalytic allylation of a variety of aromatic aldehydes. PIB-supported N-oxide promoted the allylation of aldehydes in up to 99% isolated yield. The products were isolated in the polar phase of a thermomorphic system and the catalyst was recycled through five cycles.

Ortiz-Acosta, Denisse

2007-12-01T23:59:59.000Z

151

Biomimetic oxidation studies. 11: Alkane functionalization in aqueous solution utilizing in situ formed [Fe{sub 2}O({eta}{sup 1}-H{sub 2}O)({eta}{sup 1}-OAc)(TPA){sub 2}]{sup 3+}, as an MMO model precatalyst, embedded in surface-derivatized silica and contained in micelles  

Science Conference Proceedings (OSTI)

The biomimetic, methane monooxygenase enzyme (MMO) precatalyst, [Fe{sub 2}O({eta}{sup 1}-H{sub 2}O)({eta}{sup 1}-OAc)(TPA){sub 2}]{sup 3+} (TPA = tris[(2-pyridyl)methyl]amine), 1, formed in situ at pH 4.2 from [Fe{sub 2}O({mu}-OAc)(TPA){sub 2}]{sup 3+}, 2, was embedded in an amorphous silicate surface modified by a combination of hydrophilic poly(ethylene oxide) and hydrophobic poly(propylene oxide). The resulting catalytic assembly was found to be a biomimetic model for the MMO active site within a hydrophobic macroenvironment, allowing alkane functionalization with tert-butyl hydroperoxide (TBHP)/O{sub 2} in an aqueous reaction medium (pH 4.2). For example, cyclohexane was oxidized to a mixture of cyclohexanone, cyclohexanol, and cyclohexyl-tert-butyl peroxide, in a ratio of {approximately}3:1:2. The balance between poly(ethylene oxide) and poly(propylene oxide), tethered on the silica surface, was crucial for maximizing the catalytic activity. The silica-based catalytic assembly showed reactivity somewhat higher in comparison to an aqueous micelle system utilizing the surfactant, cetyltrimethylammonium hydrogen sulfate at its critical micelle concentration, in which functionalization of cyclohexane with TBHP/O{sub 2} in the presence of 1 was also studied at pH 4.2 and was found to provide similar products: cyclohexanol, cyclohexanone, and cyclohexyl-tert-butyl peroxide, in a ratio of {approximately}2:3:1. Moreover, the mechanism for both the silica-based catalytic assembly and the aqueous micelle system was found to occur via the Haber-Weiss process, in which redox chemistry between 1 and TBHP provides both the t-BuO{sup {sm_bullet}} and t-BuOO{sup {sm_bullet}} radicals. The t-BuO{sup {sm_bullet}} radical initiates the C-H functionalization reaction to form the carbon radical, followed by O{sub 2} trapping, to provide cyclohexyl hydroperoxide, which produces the cyclohexanol and cyclohexanone in the presence of 1, whereas the coupling product emanates from t-BuOO{sup {sm_bullet}} and cyclohexyl radicals. A discussion concerning both approaches for alkane functionalization in water will be presented.

Neimann, K.; Neumann, R. [Hebrew Univ., Jerusalem (Israel); Rabion, A. [Lawrence Berkeley National Lab., CA (United States)]|[Groupement de Recherche de Lacq, Artix (France); Buchanan, R.M. [Univ. of Louisville, KY (United States). Dept. of Chemistry; Fish, R.H. [Lawrence Berkeley National Lab., CA (United States)

1999-07-26T23:59:59.000Z

152

Studies of the chemical and regulatory mechanisms of tyrosine hydroxylase  

E-Print Network (OSTI)

Tyrosine hydroxylase (TyrH) catalyzes the pterin-dependent hydroxylation of tyrosine to form dihydroxyphenylalanine. The enzyme requires one atom of ferrous iron for activity. Using deuterated 4-methylphenylalanine substrates, intrinsic primary and secondary isotope effects of 9.6 ± 0.9 and 1.21 ± 0.08 have been determined for benzylic hydroxylation catalyzed by TyrH. The large, normal secondary isotope effect is consistent with a mechanism involving hydrogen atom abstraction to generate a radical intermediate. The similarity of the isotope effects to those measured for benzylic hydroxylation catalyzed by cytochrome P-450 suggests that a high-valent, ferryl-oxo species is the hydroxylating species in TyrH. Uncoupled mutant forms of TyrH have been utilized to unmask isotope effects on steps in the aromatic hydroxylation pathway which also implicate a ferryl-oxo intermediate. Inverse secondary isotope effects were seen when 3,5-2H2-tyrosine was used as a substrate for several mutant enzyme forms. This result is consistent with a direct attack by a ferryl-oxo species on the aromatic ring of tyrosine forming a cationic intermediate. Rapid-freeze quench Mössbauer studies have provided preliminary spectroscopic evidence for an Fe(IV) intermediate in the reaction catalyzed by TyrH. The role of the iron atom in the regulatory mechanism has also been investigated. The iron atom in TyrH, as isolated, is in the ferric form and must be reduced for activity. The iron can be reduced by a number of one-electron reductants including tetrahydrobiopterin, ascorbate, and glutathione; however, it appears that BH4 (kred = 2.8 ± 0.1 mM-1 s-1) is the most likely candidate for reducing the enzyme in vivo. A one-electron transfer would require a pterin radical. Rapid-freeze quench EPR experiments aimed at detecting the intermediate were unsuccessful, suggesting that it decays very rapidly by reducing another equivalent of enzyme. The active Fe(II) form can also become oxidized by oxygen (210 ± 30 M-1 s-1); this increases the affinity of catecholamine inhibitors. Serine 40 can be phosphorylated to relieve the inhibition; however, results with S40E TyrH show phosphorylation does not have an effect on the rate constant for reduction of the enzyme but causes a 40% decrease in the rate constant of oxidation.

Frantom, Patrick Allen

153

Anion exchange polymer electrolytes  

DOE Patents (OSTI)

Solid anion exchange polymer electrolytes and compositions comprising chemical compounds comprising a polymeric core, a spacer A, and a guanidine base, wherein said chemical compound is uniformly dispersed in a suitable solvent and has the structure: ##STR00001## wherein: i) A is a spacer having the structure O, S, SO.sub.2, --NH--, --N(CH.sub.2).sub.n, wherein n=1-10, --(CH.sub.2).sub.n--CH.sub.3--, wherein n=1-10, SO.sub.2-Ph, CO-Ph, ##STR00002## wherein R.sub.5, R.sub.6, R.sub.7 and R.sub.8 each are independently --H, --NH.sub.2, F, Cl, Br, CN, or a C.sub.1-C.sub.6 alkyl group, or any combination of thereof; ii) R.sub.9, R.sub.10, R.sub.11, R.sub.12, or R.sub.13 each independently are --H, --CH.sub.3, --NH.sub.2, --NO, --CH.sub.nCH.sub.3 where n=1-6, HC.dbd.O--, NH.sub.2C.dbd.O--, --CH.sub.nCOOH where n=1-6, --(CH.sub.2).sub.n--C(NH.sub.2)--COOH where n=1-6, --CH--(COOH)--CH.sub.2--COOH, --CH.sub.2--CH(O--CH.sub.2CH.sub.3).sub.2, --(C.dbd.S)--NH.sub.2, --(C.dbd.NH)--N--(CH.sub.2).sub.nCH.sub.3, where n=0-6, --NH--(C.dbd.S)--SH, --CH.sub.2--(C.dbd.O)--O--C(CH.sub.3).sub.3, --O--(CH.sub.2).sub.n--CH--(NH.sub.2)--COOH, where n=1-6, --(CH.sub.2).sub.n--CH.dbd.CH wherein n=1-6, --(CH.sub.2).sub.n--CH--CN wherein n=1-6, an aromatic group such as a phenyl, benzyl, phenoxy, methylbenzyl, nitrogen-substituted benzyl or phenyl groups, a halide, or halide-substituted methyl groups; and iii) wherein the composition is suitable for use in a membrane electrode assembly.

Kim, Yu Seung; Kim, Dae Sik; Lee, Kwan-Soo

2013-07-23T23:59:59.000Z

154

Why Sequence Pseudonocardia dioxanivorans?  

NLE Websites -- All DOE Office Websites (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

155

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

156

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

NLE Websites -- All DOE Office Websites (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

157

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

158

fulltext.pdf  

NLE Websites -- All DOE Office Websites (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 Ă“ 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

159

Why sequence ethene and vinyl chloride-oxidizing Mycobacterium strains?  

NLE Websites -- All DOE Office Websites (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.

160

10.1007%2Fs10570-013-0018-0.pdf  

NLE Websites -- All DOE Office Websites (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 Ă“ 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

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161

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

162

Chain Transfer of Vegetable Oil Macromonomers in Acrylic Solution Copolymerization  

Science Conference Proceedings (OSTI)

Use of vegetable oil macromonomers (VOMMs) as comonomers in emulsion polymerization enables good film coalescence without the addition of solvents that constitute volatile organic compounds (VOCs). VOMMs are derived from renewable resources and offer the potential of post-application crosslinking via auto-oxidation. However, chain transfer reactions of VOMMs with initiator and/or polymer radicals during emulsion polymerization reduce the amount of allylic hydrogen atoms available for primary auto-oxidation during drying. Vegetable oils and derivatives were reacted in combination with butyl acrylate and methyl methacrylate via solution polymerization. The copolymerization was monitored using in situ infrared spectroscopy to determine the extent of chain transfer. 1H NMR spectroscopy was used to determine the loci of chain transfer and the molecular weight characteristics of the polymers were characterized by SEC. Solution polymerization was utilized to minimize temperature fluctuations and maintain polymer solubility during the initial characterization.

Black, Micah [University of Southern Mississippi, The; Messman, Jamie M [ORNL; Rawlins, James [University of Southern Mississippi, The

2011-01-01T23:59:59.000Z

163

Comparative Environmental Performance of Two-Diesel-Fuel Oxygenates: Dibutyl Maleate (DBM) and Triproplyene Glycol Monomethyl Ether (TGME)  

DOE Green Energy (OSTI)

Many studies have shown that the addition of oxygen bearing compounds to diesel fuel can significantly reduce particulate emissions. To assist in the evaluation of the environmental performance of diesel-fuel oxygenates, we have implemented a suite of diagnostic models for simulating the transport of compounds released to air, water, and soils/groundwater as well as regional landscapes. As a means of studying the comparative performance of DBM and TGME, we conducted a series of simulations for selected environmental media. Benzene and methyl tertiary butyl ether (MTBE) were also addressed because they represent benchmark fuel-related compounds that have been the subject of extensive environmental measurements and modeling. The simulations showed that DBM and TGME are less mobile in soil because of reduced vapor-phase transport and increased retention on soil particles. The key distinction between these two oxygenates is that DBM is predicted to have a greater potential than TGME for aerobic biodegradation, based on chemical structure.

Layton, D.W.; Marchetti, A.A.

2001-10-01T23:59:59.000Z

164

Publications  

NLE Websites -- All DOE Office Websites (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

165

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

166

@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

167

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

168

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.

169

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

170

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

171

Alternative Fuels Data Center: Biobutanol  

Alternative Fuels and Advanced Vehicles Data Center (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

172

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

173

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

174

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.

175

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

176

Appendix A - Acronyms  

NLE Websites -- All DOE Office Websites (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

177

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

178

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

179

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

180

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.

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181

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

182

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

183

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

184

MTBE movements between Texas Gulf Coast plants to be enhanced  

SciTech Connect

This paper reports that Texas Eastern Products Pipeline Co. (Teppco), Houston, has begun construction of its shuttle pipeline, a 10-mile, 6 and 8-in. line to move methyl tertiary butyl ether (MTBE) between producers and refiners along the Houston Ship Channel. Funding for the project has been approved, rights-of-way are secured, and procurement of materials is under way, according to Teppco. The line will flow from the western edge of Shell's refinery eastward to storage facilities of Teppco's Baytown terminal. The shuttle pipeline anticipates the US requirement for oxygenated gasolines that takes effect Nov. 1. Approximately 70% of the available US merchant capacity for MTBE is located along the shuttle's path, Teppco says.

Not Available

1992-07-27T23:59:59.000Z

185

The efficient use of natural gas in transportation  

DOE Green Energy (OSTI)

Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

Stodolsky, F.; Santini, D.J.

1992-01-01T23:59:59.000Z

186

The efficient use of natural gas in transportation  

DOE Green Energy (OSTI)

Concerns over air quality and greenhouse gas emissions have prompted discussion as well as action on alternative fuels and energy efficiency. Natural gas and natural gas derived fuels and fuel additives are prime alternative fuel candidates for the transportation sector. In this study, we reexamine and add to past work on energy efficiency and greenhouse gas emissions of natural gas fuels for transportation (DeLuchi 1991, Santini et a. 1989, Ho and Renner 1990, Unnasch et al. 1989). We add to past work by looking at Methyl tertiary butyl ether (from natural gas and butane component of natural gas), alkylate (from natural gas butanes), and gasoline from natural gas. We also reexamine compressed natural gas, liquified natural gas, liquified petroleum gas, and methanol based on our analysis of vehicle efficiency potential. We compare the results against nonoxygenated gasoline.

Stodolsky, F.; Santini, D.J.

1992-04-01T23:59:59.000Z

187

Ecological hazards of MTBE exposure: A research agenda  

DOE Green Energy (OSTI)

Fuel oxygenates are used in metropolitan areas across the United States in order to reduce the amount of carbon monoxide released into the atmosphere during the winter. The most commonly used fuel oxygenate is Methyl tert-butyl ether (MTBE). Its widespread use has resulted in releases into the environment. To date there has been only minimal effort to investigate ecological impacts caused by exposure to concentrations of MTBE typically found in environmental media. Research into the potential for MTBE to adversely affect ecological receptors is essential. Acquisition of such baselines data is especially critical in light of continuing inputs and potential accumulation of MTBE in environmental media. A research Agenda is included in this report and addresses: Assessing Ecological Impacts, Potential Ecological Impacts of MTBE (aquatic organisms, terrestrial organisms), Potential Ecological Endpoints, and A Summary of Research Needs.

Carlsen, T.; Hall, L.; Rice, D.

1997-03-01T23:59:59.000Z

188

Haze Formation and Behavior in Liquid-Liquid Extraction Processes  

Science Conference Proceedings (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

189

Method for cleaning solution used in nuclear-fuel reprocessing. [DOE patent application  

DOE Patents (OSTI)

A nuclear fuel processing solution containing: (1) hydrocarbon diluent; (2) tri-n-butyl phosphate or tri-2-ethylhexyl phosphate; and (3) monobutyl phosphate, dibutyl phosphate, mono-2-ethylhexyl phosphate, di-2-ethylhexyl phosphate, or a complex formed by plutonium, uranium, or a fission product thereof with monobutyl phosphate, dibutyl phosphate, mono-2-ethylhexyl phosphate, or di-2-ethylhexyl phosphate is contacted with silica gel having alkali ions absorbed thereon to remove any degradation products from said solution. The principal impurities removed from TBP solvent by the process of this invention are monobutyl phosphate, dibutyl phosphate, UO/sub 2//sup 2 +/, Pu/sup 4 +/, and fission products of plutonium and uranium complexed with monobutyl phosphate or dibutyl phosphate. Nitric acid is also removed from the TBP solution by the treated silica gel. Conventional adsorption column techniques are applicable for the process of the invention.

Tallent, O.K.; Dodson, K.E.; Mailen, J.C.

1981-05-12T23:59:59.000Z

190

APPLICATIONS OF LAYERED DOUBLE HYDROXIDES IN REMOVING OXYANIONS FROM OIL REFINING AND COAL MINING WASTEWATER  

SciTech Connect

Western Research Institute (WRI), in conjunction with the U.S. Department of Energy (DOE), conducted a study of using the layered double hydroxides (LDH) as filter material to remove microorganisms, large biological molecules, certain anions and toxic oxyanions from various waste streams, including wastewater from refineries. Results demonstrate that LDH has a high adsorbing capability to those compounds with negative surface charge. Constituents studied include model bacteria, viruses, arsenic, selenium, vanadium, diesel range hydrocarbons, methyl tert-butyl ether (MTBE), mixed petroleum constituents, humic materials and anions. This project also attempted to modify the physical structure of LDH for the application as a filtration material. Flow characterizations of the modified LDH materials were also investigated. Results to date indicate that LDH is a cost-effective new material to be used for wastewater treatment, especially for the treatment of anions and oxyanions.

Song Jin; Paul Fallgren

2006-03-01T23:59:59.000Z

191

Delayed cure bismaleimide resins  

DOE Patents (OSTI)

Polybismaleimides prepared by delayed curing of bis-imides having the formula ##STR1## wherein R.sub.1 and R.sub.2 each independently is H, C.sub.1-4 -alkyl, C.sub.1-4 -alkoxy, Cl or Br, or R.sub.1 and R.sub.2 together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R.sub.1 and R.sub.2 are not t-butyl or t-butoxy; X is O, S or Se; n is 1-3; and the --(CH.sub.2).sub.n -- group, optionally, is substituted by 1-3 methyl groups or by fluorine.

Adams, Johnnie E. (Grandview, MO); Jamieson, Donald R. (Merriam, KS)

1984-08-07T23:59:59.000Z

192

Bismaleimide compounds  

DOE Patents (OSTI)

Bismaleimides of the formula ##STR1## wherein R.sub.1 and R.sub.2 each independently is H, C.sub.1-4 -alkyl, C.sub.1-4 -alkoxy, C1 or Br, or R.sub.1 and R.sub.2 together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R.sub.1 and R.sub.2 are not t-butyl or t-butoxy; X is O, S or Se; n is 1-3; and the alkylene bridging group, optionally, is substituted by 1-3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

Adams, Johnnie E. (Grandview, MO); Jamieson, Donald R. (Merriam, KS)

1986-01-14T23:59:59.000Z

193

High temperature concrete composites containing organosiloxane crosslinked copolymers  

DOE Patents (OSTI)

This invention relates to high temperature polymer concrete composites comprising about 10-30% by weight of a liquid monomer mixture consisting essentially of an organosiloxane polymer crosslinked with an olefinically unsaturated monomer selected from the group consisting of styrene, methyl methacrylate, trimethylolpropane trimethacrylate, triallyl cyanurate, n-phenylmalimide, divinyl benzene and mixtures theroef; and about 70-90% by weight of an inert inorganic filler system containing silica sand and preferably a member selected from the group consisting of portland cement, Fe.sub.2 O.sub.3, carbon black and mixtures thereof; and optionally a free radical initiator such as di-tert-butyl peroxide, azobisisobutyronitrile, benzoyl peroxide, lauryl peroxide and other organic peroxides to initiate crosspolymerization of the monomer mixture in the presence of the inorganic filler.

Zeldin, Arkady (Rego Park, NY); Carciello, Neal (Patchogue, NY); Kukacka, Lawrence (Port Jefferson, NY); Fontana, Jack (Shoreham, NY)

1980-01-01T23:59:59.000Z

194

PREPARATION OF HIGH PURITY UF$sub 4$  

DOE Patents (OSTI)

S>A process for preparing very highly pure uranous tetrafluoride from impure uranium laden solvent extraction strip solutions, ion exchange process and resin-inpulp process eluate solutions which are at least 8M in hydrochloric acid is described. The process first comprises treating any of the above-mentioned solutions with a reducing agent to reduce the uranium to the + 4 oxidation state, and then contacting the reduced solution with an extractant phase comprising about 10 to 70% of tri-butyl phosphate in an organic solvent-diluent selected from benzene, ethyl-benzene, chlorobenzene, xylene, kerosene, or the like. The uranium is extracted into the extractant phase and is subsequently precipitated by treating the extractant with an aqueous fluoride solution. The highly pure uranous tetrafluoride precipitate is separated from the phases and recovered for subsequent utilization. (AEC)

Magner, J.E.; Long, R.S.; Ellis, D.A.; Grinstead, R.R.

1962-04-17T23:59:59.000Z

195

The Influence of the Linker Geometry in Bis(3-hydroxy-N-methyl-pyridin-2-one) Ligands on Solution-Phase Uranyl Affinity  

SciTech Connect

Seven water-soluble, tetradentate bis(3-hydroxy-N-methyl-pyridin-2-one) (bis-Me-3,2-HOPO) ligands were synthesized that vary only in linker geometry and rigidity. Solution phase thermodynamic measurements were conducted between pH 1.6 and pH 9.0 to determine the effects of these variations on proton and uranyl cation affinity. Proton affinity decreases by introduction of the solubilizing triethylene glycol group as compared to un-substituted reference ligands. Uranyl affinity was found to follow no discernable trends with incremental geometric modification. The butyl-linked 4Li-Me-3,2-HOPO ligand exhibited the highest uranyl affinity, consistent with prior in vivo decorporation results. Of the rigidly-linked ligands, the o-phenylene linker imparted the best uranyl affinity to the bis-Me-3,2-HOPO ligand platform.

Szigethy, Geza; Raymond, Kenneth

2010-08-12T23:59:59.000Z

196

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

DOE Green Energy (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

197

Microwave-assisted fast vapor-phase transport synthesis of MnAPO-5 molecular sieves  

Science Conference Proceedings (OSTI)

MnAPO-5 was prepared by a microwave-assisted vapor-phase transport method at 180 deg. C in short times. The products were characterized by X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectra, UV-vis spectroscopic measurement, NH{sub 3}-temperature-programmed desorption and esterification reaction. It was found that dry gels prepared with aluminum isopropoxide, phosphoric acid and manganese acetate could be transferred to MnAPO-5 in the vapors of triethylamine and water by the microwave-assisted vapor-phase transport method at 180 deg. C for less than 30 min. The crystallization time was greatly reduced by the microwave heating compared with the conventional heating. The resulting MnAPO-5 exhibited much smaller particle sizes, higher surface areas and slightly higher catalytic activity in the esterification of acetic acid and butyl alcohol than those prepared by the conventional vapor-phase transport method and hydrothermal synthesis.

Shao Hui [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China); Department of Chemical Engineering, Jiangsu Polytechnic University, Changzhou 213016 (China); Yao Jianfeng; Ke Xuebin [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China); Zhang Lixiong [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China)], E-mail: lixiongzhang@yahoo.com; Xu Nanping [State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing 210009 (China)

2009-04-02T23:59:59.000Z

198

Disorder-to-order transitions induced by alkyne/azide click chemistry in diblock copolymer thin films.  

Science Conference Proceedings (OSTI)

We investigated thin film morphologies of binary blends of alkyne-functionalized diblock copolymer poly(ethylene oxide)-block-poly(n-butyl methacrylate-random-propargyl methacrylate) (PEO-b-P(nBMA-r-PgMA)) and Rhodamine B azide, where the thermal alkyne/azide click reaction between the two components induced a disorder-to-order transition (DOT) of the copolymer. By controlling the composition of the neat copolymers and the mole ratio between the alkyne and azide groups, different microphase separated morphologies were achieved. At higher azide loading ratios, a perpendicular orientation of the microdomains was observed with wide accessible film thickness window. As less azide was incorporated, the microdomains have a stronger tendency to be parallel to the substrate, and the film thickness window for perpendicular orientation also became narrower.

Wei, X.; Gu, W.; Chen, W.; Shen, X.; Liu, F.; Strzalka, J. W.; Jiang, Z.; Russell, T. P. (Center for Nanoscale Materials); ( XSD); (Univ. of Massachusetts)

2012-01-01T23:59:59.000Z

199

Catalytic conversion of light alkanes-proof-of-concept stage -- Phase 6. Final report, February 1--October 31, 1994  

DOE Green Energy (OSTI)

During the course of the first three years of the Cooperative Agreement, the authors uncovered a family of metal perhaloporphyrin complexes which had unprecedented activity for the selective air-oxidation of light alkanes to alcohols. The reactivity of light hydrocarbon substrates with air or oxygen was in the order: isobutane > propane > ethane > methane, in accord with their homolytic bond dissociation energies. Isobutane was so reactive that the proof-of-concept stage of a process for producing tert-butyl alcohol from isobutane was begun (Phase 5). It was proposed that as more active catalytic systems were developed (Phases 4, 6), propane, then ethane and finally methane oxidations will move into this stage (Phases 7 through 9). As of this writing, however, the program has been terminated during the later stages of Phase 5 and 6 so that further work is not anticipated. 72 refs.

NONE

1994-12-31T23:59:59.000Z

200

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

DOE Patents (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. (Portola Valley, CA); Scheible, Wolf (Golm, DE)

2007-07-10T23:59:59.000Z

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.


201

Biological production of liquid fuels from biomass  

DOE Green Energy (OSTI)

A scheme for the production of liquid fuels from renewable resources such as poplar wood and lignocellulosic wastes from a refuse hydropulper was investigated. The particular scheme being studied involves the conversion of a cellulosic residue, resulting from a solvent delignified lignocellulosic feed, into either high concentration sugar syrups or into ethyl and/or butyl alcohol. The construction of a pilot apparatus for solvent delignifying 150 g samples of lignocellulosic feeds was completed. Also, an analysis method for characterizing the delignified product has been selected and tested. This is a method recommended in the Forage Fiber Handbook. Delignified samples are now being prepared and tested for their extent of delignification and susceptibility to enzyme hydrolysis. Work is continuing on characterizing the cellulase and cellobiase enzyme systems derived from the YX strain of Thermomonospora.

Not Available

202

Biological production of liquid fuels from biomass. Annual report, September 1, 1978-August 31, 1979  

DOE Green Energy (OSTI)

The production of liquid fuels from renewable resources such as poplar wood and lignocellulosic wastes from a refuse hydropulper were studied. The particular scheme being studied involves the conversion of a cellulosic residue, resulting from a solvent delignified lignocellulosic feed, into either high concentration sugar syrups or into ethyl and/or butyl alcohol. The process is aimed at achieving total raw material utilization and maximization of high value by-product recovery. Specific goals of the investigation are the demonstration of the process technical feasibility and economic practicality and its optimization for maximum economic yield and efficiency. The construction of a pilot apparatus for solvent delignifying 150g samples of lignocellulosic feeds has been completed. Also, an analysis method for characterizing the delignified product has been selected and tested. Delignified samples are now being prepared and tested for their extent of delignification and susceptibility to enzyme hydrolysis.

Pye, E.K.; Humphrey, A.E.

1979-01-01T23:59:59.000Z

203

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

204

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

205

Effect of sorghum bran addition on lipid oxidation and sensory properties of ground beef patties differing in fat levels  

E-Print Network (OSTI)

Oxidation of lipids influences the color and sensory qualities of meat products. Meat with a high fat content, such as ground meat, is susceptible to lipid oxidation that leads to the development of negative flavor and color changes. Antioxidants, such as butylated hydroxanisole (BHA), butylated hydroxytolune (BHT) and extracts of rosemary, are used in meat products to control the effects of lipid oxidation. Awika (2000, 2003) found that sorghum bran phytochemicals have high antioxidant properties. Our objective is to evaluate the pH, color, sensory and antioxidant effect of 10, 20 and 30% ground beef patties containing rosemary, BHA/BHT, and three levels of sorghum bran during 5 d of aerobic storage at 4�°C. Beef trimmings containing either 50% or 90% lean were formulated into three meat blocks containing either 10, 20 or 30% lipid. Within a fat content, ground beef was equally divided into one of six treatments: 1) control-no added ingredients; 2) BHA and BHT at .01% of the meat weight; 3) rosemary at 0.2% of the meat weight; 4) high level of sorghum at 1.0% of the meat weight; 5) medium level of sorghum at 0.5% of the meat weight; and, 6) a low level of sorghum at 0.25% of the meat weight. The ground beef was aerobically packaged and stored for 0, 1, 3, or 5 days at 4�°C. pH, thiobarbituric acid reactive substances (TBARS), fatty acid methyl esters (FAME), sensory color, Minolta color space values and descriptive sensory evaluations were determined. Antioxidant addition reduced TBARS values and increased hardness (P0.05). Moreover, the addition of sorghum bran at low levels can retard oxidative rancidity in ground beef patties without causing detrimental color changes and negatively affecting sensory attributes.

Hemphill, Susan Patricia

2006-08-01T23:59:59.000Z

206

Portal Vein Embolization Before Liver Resection: A Systematic Review  

Science Conference Proceedings (OSTI)

This is a review of literature on the indications, technique, and outcome of portal vein embolization (PVE). A systematic literature search on outcome of PVE from 1990 to 2011 was performed in Medline, Cochrane, and Embase databases. Forty-four articles were selected, including 1,791 patients with a mean age of 61 {+-} 4.1 years. Overall technical success rate was 99.3 %. The mean hypertrophy rate of the FRL after PVE was 37.9 {+-} 0.1 %. In 70 patients (3.9 %), surgery was not performed because of failure of PVE (clinical success rate 96.1 %). In 51 patients (2.8 %), the hypertrophy response was insufficient to perform liver resection. In the other 17 cases, 12 did not technically succeed (0.7 %) and 7 caused a complication leading to unresectability (0.4 %). In 6.1 %, resection was cancelled because of local tumor progression after PVE. Major complications were seen in 2.5 %, and the mortality rate was 0.1 %. A head-to-head comparison shows a negative effect of liver cirrhosis on hypertrophy response. The use of n-butyl cyanoacrylate seems to have a greater effect on hypertrophy, but the difference with other embolization materials did not reach statistical significance. No difference in regeneration is seen in patients with cholestasis or chemotherapy. Preoperative PVE has a high technical and clinical success rate. Liver cirrhosis has a negative effect on regeneration, but cholestasis and chemotherapy do not seem to have an influence on the hypertrophy response. The use of n-butyl cyanoacrylate may result in a greater hypertrophy response compared with other embolization materials used.

Lienden, K. P. van, E-mail: k.p.vanlienden@amc.uva.nl [Academic Medical Center, Department of Radiology (Netherlands)] [Academic Medical Center, Department of Radiology (Netherlands); Esschert, J. W. van den; Graaf, W. de [Academic Medical Center, Department of Surgery (Netherlands)] [Academic Medical Center, Department of Surgery (Netherlands); Bipat, S.; Lameris, J. S. [Academic Medical Center, Department of Radiology (Netherlands)] [Academic Medical Center, Department of Radiology (Netherlands); Gulik, T. M. van [Academic Medical Center, Department of Surgery (Netherlands)] [Academic Medical Center, Department of Surgery (Netherlands); Delden, O. M. van [Academic Medical Center, Department of Radiology (Netherlands)] [Academic Medical Center, Department of Radiology (Netherlands)

2013-02-15T23:59:59.000Z

207

Task 4.9 -- Value-added products from syngas. Semi-annual report, July 1--December 31, 1996  

DOE Green Energy (OSTI)

The work on advanced fuel forms in 1996 focused on the synthesis of higher alcohols from mixtures of hydrogen and carbon dioxide (syngas) from coal gasification. Initial work in this project utilized a novel molybdenum sulfide catalyst previously shown to be active for hydrodesulfurization reactions of coal liquids. A pressurized fixed-bed flow-through reactor was constructed, and the MoS{sub 2} catalysts were tested with syngas under a variety of conditions. Unfortunately, the catalysts, even with higher molybdenum loading and addition of promoters, failed to give alcohol products. A batch reactor test of the catalyst was also conducted, but did not produce alcohol products. Group VIII metals have been used previously in catalysts for syngas reactions. Ruthenium and rhodium catalysts were prepared by impregnation of a hydrotalcite support. Tests with these catalysts in flow-through reactors also did not produce the desired alcohol products. The formation of higher alcohols from smaller ones, such as methanol and ethanol, could be commercially important if high selectivity could be achieved. The methanol and ethanol would be derived from syngas and fermentation, respectively. Based on previous work in other laboratories, it was hypothesized that the hydrotalcite-supported MoS{sub 2} or Ru or Rh catalysts could catalyze the formation of butyl alcohols. Although the desired 1-butanol was obtained in batch reactions with the promoted ruthenium catalyst, the reaction was not as selective as desired. Product suitable for a lower-vapor-pressure gasoline oxygenate additive was obtained, but it may not be economical to market such products in competition with methyl tertiary-butyl ether (MTBE). Flow-through catalytic bed reactions were not successful.

Olson, E.S.; Sharma, R.K.

1997-08-01T23:59:59.000Z

208

Modeling the Geometric Electronic and Redox Properties of Iron(lll)-Containing Amphiphiles with Asymmetric [NNO] Headgroups  

DOE Green Energy (OSTI)

Two iron(III)-containing amphiphiles 1 and 2 have been synthesized with the [NN'O] ligands HL{sup tBu-ODA} (2-((octadecyl(pyridin-2-ylmethyl)amino)methyl)-4,6-di-tert-butylphenol) and HL{sup I-ODA} (2-((octadecyl(pyridin-2-ylmethyl)amino)methyl)-4,6-diiodophenol), respectively. Compound 1 is monometallic, whereas EXAFS data suggest that 2 is a mixture of mono- and bimetallic species. The archetypical [Fe{sup III}(L{sup NN'O}){sub 2}]{sup +} complexes 3-9 have been isolated and characterized in order to understand the geometric, electronic, and redox properties of the amphiphiles. Preference for a monometallic or bimetallic nuclearity is dependent on (i) the nature of the solvent used for synthesis and (ii) the type of the substituent in the phenol moiety. In methanol, the tert-butyl-, methoxy-, and chloro-substituted 3, 4, and 5 are monometallic species, whereas the bromo- and iodo-substituted 6 and 7 form bimetallic complexes taking advantage of stabilizing methoxo bridges generated by solvent deprotonation. In dichloromethane, the bromo- and iodo-substituted 8 and 9 are monometallic species; however, these species favor meridional coordination in opposition to the facial coordination observed for the tert-butyl- and methoxy-substituted compounds. Molecular structures for species 5, 7, 8, and 9 have been solved by X-ray diffraction. Furthermore, the electronic spectrum of the amphiphile 1 was expected to be similar to those of facial/cis archetypes with similar substituents, but close resemblance was observed with the profile for those meridional/cis species, suggesting a similar coordination mode. This trend is discussed based on DFT calculations, where preference for the meridional/cis coordination mode appears related to the presence of tertiary amine nitrogen on the ligand, as when a long alkyl chain is attached to the [NN'O] headgroup.

R Shakya; M Allard; M Johann; M Heeg; E Rentschler; J Shearer; B McGarvey; C Verani

2011-12-31T23:59:59.000Z

209

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

DOE Green Energy (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

210

Bismuth as a modifier of Au Pd catalyst: Enhancing selectivity in alcohol oxidation by suppressing parallel reaction  

SciTech Connect

Bi has been widely employed as a modifier for Pd and Pt based catalyst mainly in order to improve selectivity. We found that when Bi was added to the bimetallic system AuPd, the effect on activity in alcohol oxidation mainly depends on the amount of Bi regardless its position, being negligible when Bi was 0.1 wt% and detectably negative when the amount was increased to 3 wt%. However, the selectivity of the reactions notably varied only when Bi was deposited on the surface of metal nanoparticles suppressing parallel reaction in both benzyl alcohol and glycerol oxidation. After a careful characterization of all the catalysts and additional catalytic tests, we concluded that the Bi influence on the activity of the catalysts could be ascribed to electronic effect whereas the one on selectivity mainly to a geometric modification. Moreover, the Bi-modified AuPd/AC catalyst showed possible application in the production of tartronic acid, a useful intermediate, from glycerol.

Villa, Alberto [Universita di Milano, Italy; Wang, Di [Fritz Haber Institute of the Max Planck Society, Berlin, Germany; Veith, Gabriel M [ORNL; Prati, Laura [Universita di Milano, Italy

2012-01-01T23:59:59.000Z

211

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

SciTech Connect

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

212

Synthesis of methyl methacrylate from coal-derived syngas: Quarterly report,, October 1-December 31, 1997  

SciTech Connect

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of three steps of synthesis of a propionate, its condensation with formaldehyde, and esterification of resulting methacrylic acid (MAA) with methanol to produce MMA. Over the last quarter, Eastman developed two new processes which have resulted in two new invention reports. One process deals with carbonylation of benzyl ether which represents a model for coal liquefaction and the second focuses on the acceleration of carbonylation rates for propionic acid synthesis, via use of polar aprotic solvents. These two inventions are major improvements in the novel Mo-catalyzed homogeneous process for propionic acid synthesis technology, developed by Eastman. Over the last quarter, RTI completed three reaction cycles and two regeneration cycles as a part of long-term reaction regeneration cycle study on a 10% Nb{sub 2}O{sub 5}/Si0{sub 2} catalyst, for vapor phase condensation reaction of formaldehyde with propionic acid.

NONE

1998-09-01T23:59:59.000Z

213

Nonaqueous seeded growth of flower-like mixed-phase titania nanostructures for photocatalytic applications  

SciTech Connect

A nonaqueous seeded-grown synthesis of three-dimensional TiO{sub 2} nanostructures in the benzyl alcohol reaction system was reported. The synthesis was simple, high-yield, and requires no structural directing or capping agents. It could be largely accelerated by applying microwave heating. The TiO{sub 2} nanostructures had a unique flower-like morphology and high surface area. Furthermore, the structural analyses suggested that the nanostructures had a non-uniform distribution of crystalline phases, with the inner part rich in anatase and the outer part rich in rutile. After heat treatments, the mixed-phase TiO{sub 2} nanostructures exhibited high photocatalytic activities for the photodegradation of methylene blue as compared to Degussa P25. The high photoactivities may be associated with the high surface area and the synergistic effect resulting from the anisotropic mixed-phase nanostructures. The results demonstrate the uniqueness of the nonaqueous seeded growth and the potential of the TiO{sub 2} nanostructures for practical applications. - Graphical abstract: Flower-like TiO{sub 2} nanostructures synthesized by a nonaqueous seeded growth without using any structural directing or capping agents.

Hsu, Y.-C.; Lin, H.-C.; Chen, C.-H.; Liao, Y.-T. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Yang, C.-M., E-mail: cmyang@mx.nthu.edu.t [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2010-09-15T23:59:59.000Z

214

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

SciTech Connect

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

215

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

SciTech Connect

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

216

Article Carbene Spin Multiplicity in Solution Probed Using Time-Resolved EPR Spectroscopy  

E-Print Network (OSTI)

Abstract. Time-resolved (CW) EPR spectroscopy at X-band has been used to detect free radicals created by H-atom abstraction reactions of photochemically generated carbenes in n-hexadecane solutions at room temperature. Three different carbenes were studied, formed via loss of nitrogen after photo-excitation of a substituted biphenyl diazo precursor. The TREPR signals from two different alkyl radicals and the benzylic-type radical from the carbene are detected for two of the three diazo substrates. The radicals were unambiguously identified by spectral simulation using literature parameters (g-factors and hyperfine coupling constants). Previous transient optical absorption spectroscopy experiments have concluded that these two carbenes have triplet ground states, which is confirmed by the low field emissive, high field absorptive phase of the TREPR signals reported here. The spectra are strongly spin polarized by the Radical Pair Mechanism of CIDEP, and their overall intensities track with the measured quantum yields for carbene production. A third substrate, known to react via a concerted Wolff reaction or excited state rearrangement via a singlet state, showed no TREPR signal, as expected. Reactions run in acetonitrile, where the spin multiplicity is reversed to give a singlet ground state, did not lead to detectable TREPR signals for all three substrates. The observations are consistent with previously published laser flash photolysis results.

Jin Wang; Natalia V. Lebedeva; Matthew S. Platz; Malcolm D. E. Forbes; J. Mex; Chem Soc; Sociedad Química De México; Dedicated Ernest; L. Eliel; A Scholar

2009-01-01T23:59:59.000Z

217

Evidence for a radical relay mechanism during reaction of surface-immobilized molecules  

Science Conference Proceedings (OSTI)

The impact of restricted mass transport on high-temperature, free-radical reactions has been explored through the use of organic compounds immobilized on silica surfaces by a thermally robust Si-O-C{sub aromatic} linkage. The rate of thermolysis of surface-immobilized 1,3-diphenylpropane(=DPP) at 375{degree}C under vacuum, by a free-radical chain pathway, was found to be very sensitive (factor of 40 variation) to the structure and orientation of a second, neighboring spacer molecule on the surface. Compared with the inert aromatic spacers, (e.g., biphenyl) it was found that spacer molecules containing reactive benzylic C-H bonds (e.g., diphenylmethane) are capable of accelerating the =DPP thermolysis by a process that is unique to diffusionally constrained systems. A mechanism involving rapid serial hydrogen transfer steps on the surface is proposed, which results in radical intermediates being relayed across the surface and hence overcoming classical diffusional limitations. 33 refs., 3 figs., 3 tabs.

Buchanan, A.C. III; Britt, P.F.; Thomas, K.B.; Biggs, C.A. [Oak Ridge National Lab., TN (United States)] [Oak Ridge National Lab., TN (United States)

1996-03-06T23:59:59.000Z

218

Activation of the S-H Group in Fe(µ2-SH)Fe Clusters: S-H Bond Strengths and Free Radical Reactivity of the Fe(µ2-SH)Fe Cluster  

DOE Green Energy (OSTI)

Absolute rate constants were determined for the abstraction of hydrogen atom from (OC)3Fe(?-SH)2Fe(CO)3 (Fe2S2H2) and (OC)3Fe(?-SCH3)(?-SH)Fe(CO)3 (Fe2S2MeH) by benzyl radical in benzene. From the temperature dependent rate data for Fe2S2H2, ?H‡ and ?S‡ were determined to be 2.03 ? 0.56 kcal/mol and 19.3 ? 1.7 cal/mol K, respectively, giving kabs = 1.2 ? 107 M 1 s 1 at 25?C. For Fe2S2MeH, ?H‡ and ?S‡ were determined to be 1.97 ? 0.46 kcal/mol and 18.1 ? 1.5 cal/mol K, respectively, giving kabs = 2.3 ? 107 M 1 s 1 at 25?C. Temperature dependent rate data are also reported for hydrogen atom abstraction by benzyl radical from thiophenol (?H‡ = 3.62 ? 0.43 kcal/mol, ?S‡ = 21.7 ? 1.3 cal/mol K) and H2S (?H‡ = 5.13 ? 0.99 kcal/mol, ?S‡ = 24.8 ? 3.2 cal/mol K), giving kabs at 25?C of 2.5 ? 105 and 4.2 ? 103 M 1 s 1, respectively. DFT calculations predict S-H bond strengths of 73.1 and 73.2 kcal/mol for Fe2S2H2 and Fe2S2MeH, respectively. Free energy and NMR chemical shift calculations confirm the NMR assignments and populations of Fe2S2H2 and Fe2S2MeH isomers. Derived radicals Fe2S2H• and Fe2S2Me• exhibit singly occupied HOMOs with unpaired spin density distributed between the two Fe atoms, a bridging sulfur, and d?-bonding between Fe centers. The S-H solution bond dissociation free energy (SBDFE) of Fe2S2MeH was found to be 69.4 ± 1.7 kcal/mol by determination of its pKa (16.0 ± 0.4) and the potential for the oxidation of the anion, Fe2S2Me- of 0.26 ± 0.05 V vs. ferrocene in acetonitrile (corrected for dimerization of Fe2S2Me•). This SBDFE for Fe2S2MeH corresponds to a gas phase bond dissociation enthalpy (BDE) of 74.2 kcal/mol, in satisfactory agreement with the DFT value of 73.2 kcal/mol. Replacement of the Fe-Fe bond in Fe2S2MeH with bridging ?-S (Fe2S3MeH) or ?-CO (Fe2S2(CO)MeH) groups leads to (DFT) BDEs of 72.8 and 66.2 kcal/mol, the latter indicating dramatic effects of choice of bridge structure on S-H bond strengths. These results provide a model for the reactivity of hydrosulfido sites of low-valent heterogeneous FeS catalysts. This work was supported by the US Department of Energy's Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

Franz, James A.; Lee, Suh-Jane; Bowden, Thomas A.; Alnajjar, Mikhail S.; Appel, Aaron M.; Birnbaum, Jerome C.; Bitterwolf, Thomas E.; Dupuis, Michel

2009-10-28T23:59:59.000Z

219

Advanced thermally stable jet fuels. Technical progress report, August 1992--October 1992  

DOE Green Energy (OSTI)

The Penn State program in advanced thermally stable coal-based jet fuels has five borad objectives: (1) development of mechanisms of degradation and solids formation; (2) quantitative measurement of growth of sub-micrometer and miocrometer-sized particles suspended in fuels during thermal stressing; (3) characterization of carbonaceous deposits by various instrumental and microscopic methods; (4) elucidation of the role of additives in retarding the formation of carbonaceous solids; and (5) assessment of the potential of production of high yields of cycloalkanes by direct liquefaction of coal. Pyrolysis of four isomers of butylbenzene was investigated in static microautoclave reactors at 450{degrees}C under 0.69 MPa of UHP N{sub 2}. Thee rates of disappearance of substrates were found to depend upon the bonding energy of C{alpha}-C{beta} bond in the side chain in the initial period of pyrolysis reactions. Possible catalytic effects of metal surfaces on thermal degradation and deposit formation at temperatures >400{degrees}C have been studied. Carbon deposition depends on the composition of the metal surfaces, and also depends on the chemical compositions of the reactants. Thermal stressing of JP-8 was conducted in the presence of alumina, carbonaceous deposits recovered from earlier stressing experiments, activated carbon, carbon black, and graphite. The addition of different solid carbons during thermal stressing leads to different reaction mechanisms. {sup 13}C NMR spectroscopy, along with {sup 13}C-labeling techniques, have been used to examine the thermal stability of a jet fuel sample mixed with 5% benzyl alcohol. Several heterometallic complexes consisting of two transition metals and sulfur in a single molecule were synthesized and tested as precursors of bimetallic dispersed catalysts for liquefaction of a Montana subbituminous and Pittsburgh No. 8 bituminous coals.

Schobert, H.H.; Eser, S.; Song, C.; Hatcher, P.G.; Walsh, P.M.; Coleman, M.M.; Bortiatynski, J.; Burgess, C.; Dutta, R.; Gergova, K.; Lai, W.C.; Li, J.; McKinney, D.; Parfitt, D.; Peng, Y.; Sanghani, P.; Yoon, E.

1993-02-01T23:59:59.000Z

220

TiO{sub 2}/carbon nanotube hybrid nanostructures: Solvothermal synthesis and their visible light photocatalytic activity  

Science Conference Proceedings (OSTI)

MWCNT/TiO{sub 2} hybrid nanostructures were prepared via solvothermal synthesis and sol-gel method with benzyl alcohol as a surfactant. As-prepared hybrid materials were characterized by X-ray diffraction, transmission electron microscopy, UV-vis diffuse reflectance spectra and X-ray photoelectron spectroscopy. The results showed that MWCNTs were uniformly decorated with anatase nanocrystals in solvothermal condition, but MWCNTs were embedded in a majority of TiO{sub 2} nanoparticles by sol-gel method. When the weight ratio of MWCNTs to TiO{sub 2} was 20%, MWCNT/TiO{sub 2} hybrid nanostructures prepared by solvothermal synthesis exhibited higher visible-light-driven photocatalytic activity than that prepared by sol-gel method. Post-annealing of MWCNT/TiO{sub 2} nanostructures at 400 deg. C resulted in the formation of the carbonaceous Ti-C bonds on the interface between TiO{sub 2} and MWCNTs, which enhanced the photoabsorbance of the hybrid materials in the visible light region and improved the visible-light degradation efficiency of methylene blue. - Graphical abstract: MWCNT/TiO{sub 2} nanostructures have been prepared by solvothermal method, which exhibited higher visible-light-driven photocatalytic activity than that prepared by sol-gel method. The carbonaceous Ti-C bonds on the interface between TiO{sub 2} and MWCNTs enhanced the photoabsorbance of the hybrid materials in the visible light region. Highlights: > Anatase TiO{sub 2} nanoparticles were anchored on CNTs surface uniformly via solvothermal method {yields} The morphology facilitated the electron transfer between CNTs and TiO{sub 2} {yields} Ti-C bonds extended the absorption of MWCNT/TiO{sub 2} to the whole visible light region. > The hybrid nanostructures showed enhanced visible-light induced photocatalytic activity.

Tian Lihong [College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430062 (China); Ye Liqun [College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Deng Kejian [Key Laboratory of Catalysis and Materials Science of the State Ethnic Affairs Commission and Ministry of Education, South-Central University for Nationalities, Wuhan 430074 (China); Zan Ling, E-mail: irlab@whu.edu.cn [College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China)

2011-06-15T23:59:59.000Z

Note: This page contains sample records for the topic "85-68-7 butyl benzyl" from the National Library of EnergyBeta (NLEBeta).
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221

Bioorganometallic chemistry: biocatalytic oxidation reactions with biomimetic nad+/nadh co-factors and [cp*rh(bpy)h]+ for selective organic synthesis  

Science Conference Proceedings (OSTI)

The biocatalytic, regioselective hydroxylation of 2-hydroxybiphenyl to the corresponding catechol was accomplished utilizing the monooxygenase 2-hydroxybiphenyl 3-monooxygenase (HbpA). The necessary natural nicotinamide adenine dinucleotide (NAD{sup +}) co-factor for this biocatalytic process was replaced by a biomimetic co-factor, N-benzylnicotinamide bromide, 1a. The interaction between the flavin (FAD) containing HbpA enzyme and the corresponding biomimetic NADH compound, N-benzyl-1,4-dihdronicotinamide, 1b, for hydride transfers, was shown to readily occur. The in situ recycling of the reduced NADH biomimic 1b from 1a was accomplished with [Cp*Rh(bpy)H](Cl); however, productive coupling of this regeneration reaction to the enzymatic hydroxylation reaction was not totally successful, due to a deactivation process concerning the HbpA enzyme peripheral groups; i.e., -SH or -NH{sub 2} possibly reacting with the precatalyst, [Cp*Rh(bpy)(H{sub 2}O)](Cl){sub 2}, and thus inhibiting the co-factor regeneration process. The deactivation mechanism was studied, and a promising strategy of derivatizing these peripheral -SH or -NH{sub 2} groups with a polymer containing epoxide was successful in circumventing the undesired interaction between HbpA and the precatalyst. This latter strategy allowed tandem co-factor regeneration using 1a or 2a, [Cp*Rh(bpy)(H2O)](Cl){sub 2}, and formate ion, in conjunction with the polymer bound, FAD containing HbpA enzyme to provide the catechol product.

Lutz, Jochen; Hollman, Frank; Ho, The Vinh; Schnyder, Adrian; Fish, Richard H.; Schmid, Andreas

2004-03-09T23:59:59.000Z

222

Reductive Dissolution of Goethite and Hematite by Reduced Flavins  

SciTech Connect

The abiotic reductive dissolution of goethite and hematite by the reduced forms of flavin mononucleotide (FMNH2) and riboflavin (RBFH2), electron transfer mediators (ETM) secreted by the dissimilatory iron-reducing bacterium Shewanella, was investigated under stringent anaerobic conditions. In contrast to the rapid redox reaction rate observed for ferrihydrite and lepidocrocite (Shi et al., 2012), the reductive dissolution of crystalline goethite and hematite was slower, with the extent of reaction limited by the thermodynamic driving force at circumneutral pH. Both the initial reaction rate and reaction extent increased with decreasing pH. On a unit surface area basis, goethite was less reactive than hematite between pH 4.0 and 7.0. AH2DS, the reduced form of the well-studied synthetic ETM anthraquinone-2,6-disulfonate (AQDS), yielded higher rates than FMNH2 under most reaction conditions, despite the fact that FMNH2 was a more effective reductant than AH2DS for ferryhydrite and lepidocrocite. Two additional model compounds, methyl viologen and benzyl viologen, were investigated under similar reaction conditions to explore the relationship between reaction rate and thermodynamic properties. Relevant kinetic data from the literature were also included in the analysis to span a broad range of half-cell potentials. Other conditions being equal, the surface area normalized initial reaction rate (ra) increased as the redox potential of the reductant became more negative. A non-linear, parabolic relationship was observed between log ra and the redox potential for eight reducants at pH 7.0, as predicted by Marcus theory for electron transfer. When pH and reductant concentration were fixed, log ra was positively correlated to the redox potential of four Fe(III) oxides over a wide pH range, following a non-linear parabolic relationship as well.

Shi, Zhi; Zachara, John M.; Wang, Zheming; Shi, Liang; Fredrickson, Jim K.

2013-10-02T23:59:59.000Z

223

ANNUAL PROGRESS REPORT COVERING RESEARCHES DURING THE PERIOD JUNE 1, 1956 TO MAY 31, 1957. Report No. 45  

SciTech Connect

>Results of solvent extraction studies on Au, Ga, Nb, and Ta are given. Data on the dependence of B/sub A/, epsilon /sub A/ and S/sub A/ on A and on nucleon shells in beta decay are summarized. Rates of hydrolysis of benzyl and benzhydryl halides and methyl iodide in H/sub 2/O and D/sub 2/O are tabulated. Values for the solvolysis of triphenplmethyl fluoride, the decarboxylation rates of beta -keto acids, and the decomposition of single chlorosulfites are included. Experiments were conducted to examine the velocity spectrum of cosmic ray mu mesons at sea level, the incidence of air showers and their direction of arrival at sites in Bolivia and India, short period fluctuations in cosmic-ray intensity, the mu -meson component of large air showers, polarization of cosmic-ray mu mesons, and other related measurements. Photographic emulsion research continued on the dynamics of K/sup +/ scattering and on a search for the Pais-Piccioni effects. The linear accelerator work centered about a study of gamma -ray induced neutron spectra of Bi, Pb, Au, and Ta. The Rockefeller Van de Graaff Generator work was concerned with the measurement of g-factors of low-lying excited states of Sm, Nd, and Gd. Nuclear energy level studies using the ONR Van de Graaff Generator were concentrated largely on the nuclei between mass numbers 40 and 70. Efforts were directed award a determination of level order and, where possible, of spins and parities of states. A number of angular distribution studies for deuterium stripping reactions were carried out. Research with the M.I.T. cyclotron involved a continuation of the angular distribution studies of elastically scattered 7.5-Mev protons, the measurement or polarization of such elastically scattered protons; 30-Mev alpha particle scattering, alpha ment of apparatus for time-of-flight neutron energy measurements. (For preceding period see AECU-3377.) (M.H.R.)

1958-10-31T23:59:59.000Z

224

Electron and hydrogen atom transfer mechanisms for the photoreduction of o-quinones. Visible light induced photoreactions of. beta. -lapachone with amines, alcohols, and amino alcohols  

DOE Green Energy (OSTI)

{beta}-Lapachone (1), a substituted o-naphthoquinone absorbing into the visible ({lambda}{sub max} = 424 nm in benzene), is cleanly and efficiently reduced to the corresponding semiquinone radical upon photolysis in degassed solutions with alcohols, amines, and {beta}-amino alcohols. The course and products of these photoreactions have been followed by NMR, ESR, fluorescence, and absorption spectroscopy. For all three types of reductant the overall reaction involves 2e{sup {minus}} oxidation of the donor, and the quantum efficiencies show a dependence upon quinone concentration indicative of the role of a second dark reduction of 1 by products of the primary photolysis. For amines and amino alcohols the reaction is initiated by single electron transfer quenching of triplet 1. For triethylamine the mechanism is indicated to be a sequence of two electron transfer-proton transfer steps culminating in two semiquinone radicals and the enamine Et{sub 2}NCH{double bond}CH{sub 2}. For amino alcohols a C-C cleavage concurrent with deprotonation of the alcohol (oxidative photofragmentation) occurs, in competition with reverse electron transfer, following the quenching step. For both amines and amino alcohols, limiting efficiencies of reaction approach 2 (for QH{sup {sm bullet}} formation). In contrast, both 2-propanol and benzyl alcohol are oxidized by excited states of 1 with much lower efficiency. The probable mechanism for photooxidation of the alcohols involves a H atom abstraction quenching of the excited state followed by an electron transfer-proton transfer sequence in which a ground-state 1 is reduced. Lower limiting efficiencies for photoreduction of 1 by the alcohols are attributed to inefficiencies of net H-atom transfer in the quenching step. 54 refs., 3 figs., 9 tabs.

Xiaohong Ci; Whitten, D.G. (Univ. of Rochester, NY (USA)); Silveira da Silva, R.; Nicodem, D. (Universidade Federal do Rio de Janeiro (Brazil))

1989-02-15T23:59:59.000Z

225

Preparation and Characterization of Paints and Coatings from Soy and Corn Oils  

Science Conference Proceedings (OSTI)

This project was highly successful. A series of new waterborne polyurethane (PU)/acrylic hybrid latexes were successfully synthesized by the emulsion polymerization of acrylic monomers (butyl acrylate and methyl methacrylate) in the presence of a soybean oil-based waterborne PU dispersion using potassium persulfate as an initiator. The waterborne PU dispersion was synthesized by a polyaddition reaction of toluene 2,4-diisocyanate and a soybean oil-based polyol (SOL). The resulting hybrid latexes, containing 15-60 wt % SOL as a renewable resource, are very stable and exhibit uniform particle sizes of {approx}125 nm as determined by transmittance electronic microscopy. The structure, thermal, and mechanical properties of the resulting hybrid latex films have been investigated by Fourier transform infrared spectroscopy, solid state {sup 13}C NMR spectroscopy, dynamic mechanical analysis, extraction, and mechanical testing. Grafting copolymerization of the acrylic monomers onto the PU network occurs during the emulsion polymerization, leading to a significant increase in the thermal and mechanical properties of the resulting hybrid latexes. This work provides a new way of utilizing renewable resources to prepare environmentally friendly hybrid latexes with high performance for coating applications. In addition, a novel soybean oil-based vinyl-containing waterborne polyurethane (VPU) dispersion has been successfully synthesized from toluene 2,4-diisocyanate, dimethylol propionic acid and a 90:10 mixture of chlorinated soybean oil-based polyol and acrylated epoxidized soybean oil (AESO). Then, a series of VPU/acrylic grafted latexes were prepared by emulsion graft copolymerization of acrylic monomers (40 wt% butyl acrylate and 60 wt% methyl methacrylate) in the presence of the VPU dispersion using potassium persulfate as an initiator. The structure, morphology, and thermal and mechanical properties of the resulting latexes, containing 15-60 wt% soybean oil-based polyols as a renewable resource, were investigated by Fourier transform infrared spectroscopy, solid state {sup 13}C NMR spectroscopy, transmission electron microscopy, thermogravimetric analysis, dynamic mechanical analysis and mechanical testing. The results indicated that graft copolymerization of the acrylic monomers onto the VPU network occurs during emulsion polymerization, leading to a significant increase in the thermal stability and mechanical properties of the resulting miscible grafted latexes. This work provides new environmentally-friendly latexes from a renewable resource with high performance for coating applications.

Larock, Richard C.

2009-02-26T23:59:59.000Z

226

Task 4.9 -- Value-added products from syngas  

DOE Green Energy (OSTI)

The work on advanced fuel forms in 1996 focused on the synthesis of higher alcohols from mixtures of hydrogen and carbon dioxide (syngas) from coal gasification. The conversion of coal gasification products to commercially valuable alcohols will provide an important new market for current and future gasification plants. Initial work in this project utilized a novel molybdenum sulfide catalyst previously shown to be active for hydrodesulfurization reactions of coal liquids. The support for the active metal sulfide is a layered mixed oxide (hydrotalcite) capable of interaction with the metal sites for catalysis of carbon monoxide reductions. These catalysts have a high surface area, are highly porous, and have basic and acidic functionality. A pressurized fixed-bed flow-through reactor was constructed, and the MoS{sub 2} catalysts were tested with syngas under a variety of conditions. Unfortunately, the catalysts, even with higher molybdenum loading and addition of promoters, failed to give alcohol products. A batch reactor test of the catalyst was also conducted, but did not produce alcohol products. Group 8 metals have been used previously in catalysts for syngas reactions. Ruthenium and rhodium catalysts were prepared by impregnation of a hydrotalcite support. Tests with these catalysts in flow-through reactors also did not produce the desired alcohol products. The formation of higher alcohols from smaller ones, such as methanol and ethanol, could be commercially important if high selectivity could be achieved. The methanol and ethanol would be derived from syngas and fermentation, respectively. Based on previous work in other laboratories, it was hypothesized that the hydrotalcite supported MoS{sub 2} or Ru or Rh catalysts could catalyze the formation of butyl alcohols. Although the desired 1-butanol was obtained in batch reactions with the promoted Ru catalyst, the reaction was not as selective as desired. Product suitable for a lower-vapor-pressure gasoline oxygenate additive was obtained, but it may not be economical to market such products in competition with methyl tertiary-butyl-ether. Flow-through catalytic bed reactions were not successful.

Olson, E.S.; Sharma, R.K.

1997-02-01T23:59:59.000Z

227

Thermocatalytic decomposition of vulcanized rubber  

E-Print Network (OSTI)

Used vulcanized rubber tires have caused serious trouble worldwide. Current disposal and recycling methods all have undesirable side effects, and they generally do not produce maximum benefits. A thermocatalytic process using aluminum chloride as the main catalyst was demonstrated previously from 1992 to 1995 in our laboratory to convert used rubber tire to branched and ringed hydrocarbons. Products fell in the range of C4 to C8. Little to no gaseous products or fuel oil hydrocarbons of lower value were present. This project extended the previous experiments to accumulate laboratory data, and provide fundamental understanding of the thermocatalytic decomposition reaction of the model compounds including styrene-butadiene copolymers (SBR), butyl, and natural rubber. The liquid product yields of SBR and natural rubber consistently represented 20 to 30% of the original feedstock by weight. Generally, approximately 1 to 3% of the feedstock was converted to naphtha, while the remainder was liquefied petroleum gas. The liquid yields for butyl rubber were significantly higher than for SBR and natural rubber, generally ranging from 30 to 40% of the feedstock. Experiments were conducted to separate the catalyst from the residue by evaporation. Temperatures between 400 �°C and 500 �°C range are required to drive off significant amounts of catalyst. Decomposition of the catalyst also occurred in the recovery process. Reports in the literature and our observations strongly suggest that the AlCl3 forms an organometallic complex with the decomposing hydrocarbons so that it becomes integrated into the residue. Catalyst mixtures also were tested. Both AlCl3/NaCl and AlCl3/KCl mixtures had very small AlCl3 partial pressures at temperatures as high as 250 �°C, unlike pure AlCl3 and AlCl3/MgCl2 mixtures. With the AlCl3/NaCl mixtures, decomposition of the rubber was observed at temperatures as low as 150 �°C, although the reaction rates were considerably slower at lower temperatures. The amount of naphtha produced by the reaction also increased markedly, as did the yields of aromatics and cyclic paraffin. Recommendations are made for future research to definitively determine the economic and technical feasibility of the proposed thermocatalytic depolymerization process.

Qin, Feng

2005-05-01T23:59:59.000Z

228

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

229

What's New in the Computational Biology Section  

NLE Websites -- All DOE Office Websites (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

230

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

231

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

232

Encapsulation and Characterization of Proton-Bound Amine Homodimers in a Water Soluble, Self-Assembled Supramolecular Host  

DOE Green Energy (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

233

Effect of solvent structure on electron reactivity: 1-butanol/water mixtures  

Science Conference Proceedings (OSTI)

The solvent dependence of e/sub s//sup -/ reaction rate constants k/sub 2/ and their Arrhenius parameters differ for efficient (nitrobenzene, acetone) and inefficient (phenol, toluene) scavengers. The n-butyl group is so large that 1-butanol is not completely miscible with water. The complex changes of physical properties of 1-propanol/water mixtures produced four different zones of e/sub s//sup -/ behavior on going from 0 to 1.00 mole fraction water. Zone c, 0.75-0.97 mole fraction water, which displays Stokes-Smoluchowski behavior of k/sub 2/, is inaccessible in 1-butanol/water solvents because it is in the immiscible region. In zone a the viscosity normalized rate constant eta k/sub 2/ for inefficient scavengers decreases in spite of the decrease of the electron optical absorption energy E/sub r/. Hydrogen-bonded structures, for example H/sub 2/O(ROH)/sub 8/, apparently make the positive hydrogens on the OH groups less accessible to solvate the electrons and less accessible to protonate S/sup -/.

Maham, Y.; Freeman, G.R.

1987-03-12T23:59:59.000Z

234

Thermodynamics and Kinetics of Carbon Dioxide Binding to Two Stereoisomers  

NLE Websites -- All DOE Office Websites (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

235

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

236

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.

237

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.

238

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

239

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

240

Heterogeneous Mixtures as NLO Christiansen Filters for Optical Limiting  

SciTech Connect

Mixtures of two non-absorbing and index-matched materials with contrasting nonlinear optical response have been shown to optically limit above a critical fluence of pulsed nanosecond laser light. Under these conditions, index mismatch is induced between the disparate phases leading to strong Tyndall scattering. The effect has been demonstrated previously by the authors in both solid-liquid mixtures (hexadecane and calcium fluoride), and surfactant-stabilized liquid-liquid emulsions consisting of dichloroethane as the organic phase and a concentrated aqueous phase of sodium thiocyanate (NaSCN). Materials used in these studies exhibit low absorption coefficients over extended wavelength regions allowing for a broadband response of the limiter. Recently, limiting has been observed at 532 nm in a polymer composite consisting of barium fluoride and poly-(n-butyl acrylate). A modified open-aperture z-scan method was used to quantify optical limiter performance in this system. Modeling studies provide the basis for designing optical limiters based upon this light scattering mechanism and show the importance of size resonance and constituent optical properties on limiter performance.

Exarhos, Gregory J.; Ferris, Kim F.; Samuels, William D.; Exarhos, Gregory J.; et. al.

2004-06-01T23:59:59.000Z

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.


241

Development of an advanced reprocessing system based on use of pyrrolidone derivatives as novel precipitants with high selectivity and control ability - precipitation behavior of plutonium  

Science Conference Proceedings (OSTI)

Precipitation behavior of Pu with pyrrolidone derivatives of N-butyl-2-pyrrolidone (NBP) and N-propyl- 2-pyrrolidone (NProP) has been examined to develop a simple reprocessing process of spent nuclear fuel based only on precipitation method. It has been already found that one of the pyrrolidone derivatives, N-cyclohexyl-2- pyrrolidone (NCP), can selectively precipitate UO{sub 2}{sup 2+} ions in aqueous HNO{sub 3} solutions and a process consisting of two separation processes; selective U precipitation process and U-Pu co-precipitation process, was developed with NCP. In the present study, Pu precipitation from solutions of only Pu and U-Pu mixture with NBP and NProP was examined to evaluate their applicability to the selective U precipitation process. Both NBP and NProP have lower hydrophobicity and donicity than NCP, and are, therefore, expected to make the U precipitation more selective and effective. It was found that the precipitation ability of NBP and NProP for Pu is lower than that of NCP and the lower coprecipitation and faster re-dissolution of Pu(IV) in the mixed solution of U(VI) and Pu(IV) was obtained in the precipitation with NBP and NProP than with NCP. From these results, it is expected that NBP and NProP would make the selective U precipitation process more selective and effective. (authors)

Morita, Yasuji; Kim, Seong-Yun [Japan Atomic Energy Agency: Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Ikeda, Yasuhisa; Nogami, Masanobu [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo 152-8550 (Japan); Nishimura, Kenji [Mitsubishi Materials Corporation, Mukoyama, Naka, Ibaraki 311-0102 (Japan)

2007-07-01T23:59:59.000Z

242

Cost-benefit analysis of cosolvent flushing to treat groundwater contamination source areas  

Science Conference Proceedings (OSTI)

Dense non-aqueous phase liquids (DNAPLs) in the zone beneath the water table can be a virtually permanent source of groundwater contamination that cannot be remediated by currently available technologies. Cosolvent flushing is a new technology that has the potential to remediate these sites and could pose a solution to the problem of DNAPL source areas. A computer model was developed to determine the cost and time to remediate an aquifer using cosolvent flushing. Included in the model is a module to calculate the costs of recycling the alcohol that is used as the cosolvent. The model was validated using site conditions to a prior study. It was determined that recycling the cosolvent allows cosolvent flushing to be a cost effective alternative to surfactant flushing, another new technology being considered for DNAPL source remediation. Sensitivity analysis of the model was conducted by varying the saturation percentage of contaminant, percentage and type of alcohol used in the cosolvent mixture, site hydraulic conductivity, and the contaminant. Five alcohols were modeled: methanol, ethanol, 1-isopropanol, 2-isopropanol, and tert-butyl-alcohol (TBA). 1-Isopropanol, 2-isopropanol, and TBA were always more expensive than methanol and ethanol.

Anason, S.L.

1999-03-01T23:59:59.000Z

243

Exterior Rigid Foam Insulation at the Edge of a Slab Foundation, Fresno, California (Fact Sheet)  

SciTech Connect

Exterior rigid foam insulation at the edge of the slab foundation was a unique feature for this low-load, unoccupied test house in a hot-dry climate and may be more appropriate for climates with higher heating loads. U.S. Department of Energy Building America research team IBACOS worked with National Housing Quality Award winner Wathen-Castanos Hybrid Homes, Inc., to assess the performance of this feature in a single-family detached ranch house with three bedrooms and two full bathrooms constructed on a slab-on-grade foundation in Fresno, California. One challenge during installation of the system was the attachment of the butyl flashing to the open framing. To solve this constructability issue, the team added a nailer to the base of the wall to properly attach and lap the flashing. In this strategy, R-7.5, 1.5-in.-thick extruded polystyrene was installed on the exterior of the slab for a modeled savings of 4,500 Btu/h on the heating load.

Not Available

2013-10-01T23:59:59.000Z

244

Catalyst and process development for synthesis gas conversion to isobutylene. Quarterly report, October 1, 1993--December 31, 1993  

SciTech Connect

The objectives of this project are to develop a new catalyst; the kinetics for this catalyst; reactor models for trickle bed, slurry and fixed bed reactors; and to simulate the performance of fixed bed trickle flow reactors, slurry flow reactors, and fixed bed gas phase reactors for conversion of a hydrogen lean synthesis gas to isobutylene. A hydrogen-lean synthesis gas with a ratio of H{sub 2}/CO of 0.5 to 1.0 is produced from the gasification of coal, lignite, or biomass. Isobutylene is a key reactant in the synthesis of methyl tertiary butyl ether (MTBE) and of isooctanes. MTBE and isooctanes are high octane fuels used to blend with low octane gasolines to raise the octane number required for modern automobiles. The production of these two key octane boosters is limited by the supply of isobutylene. MTBE, when used as an octane enhancer, also decreases the amount of pollutants emitted from the exhaust of an automobile engine.

Anthony, R.G.; Akgerman, A.

1994-05-01T23:59:59.000Z

245

Interactions of Ionic Liquids with Uranium and its Bioreduction  

Science Conference Proceedings (OSTI)

We investigated the influence of ionic liquids (ILs) 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM]{sup +}[PF{sub 6}]{sup -}, N-ethylpyridinium trifluoroacetate [EtPy]{sup +}[CF{sub 3}COO]{sup -} and N-ethylpyridinium tetrafluoroborate [Et-Py]{sup +}[BF{sub 4}]{sup -} on uranium reduction by Clostridium sp. under anaerobic conditions. Potentiometric titration, UV-vis spectrophotometry, LC-MS and EXAFS analyses showed monodentate complexation between uranyl and BF{sub 4}{sup -} PF{sub 6}{sup -}; and bidentate complexation with CF{sub 3}COO{sup -}. Ionic liquids affected the growth of Clostridium sp. as evidenced by decrease in optical density, changes in pH, gas production, and the extent of U(VI) reduction and precipitation of U(IV) from solution. Reduction of U(VI) to U(IV) was observed in the presence of [EtPy][BF{sub 4}] and [BMIM][PF{sub 6}] but not with [EtPy][CF{sub 3}COO].

Zhang, C.; Francis, A.

2012-09-18T23:59:59.000Z

246

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

247

Actinide extraction from ICPP sodium bearing waste with 0.75 M DHDECMP/TBP in Isopar L{reg_sign}  

SciTech Connect

Recent process development efforts at the Idaho Chemical Processing Plant include examination of solvent extraction technologies for actinide partitioning from sodium bearing waste (SBW) solutions. The use of 0.75 {und M} dihexyl-N, N-diethylcarbamoylmethylphosphonate (DHDECMP or simply CMP) and 1.0 {und M} tri-n-butyl phosphate (TBP) diluted in Isopar L{reg_sign} was explored for actinide removal from simulated SBW solutions. Experimental evaluations included batch contacts in radiotracer tests with simulated sodium bearing waste solution to measure the extraction and recovery efficiency of the organic solvent. The radioactive isotopes utilized for this study included Pu-238, Pu-239, Am-241, U-233, Np-239, Zr-95, Tc-99m, and Hg-203. Extraction contacts of the organic solvent with the traced SBW stimulant, strip (back-extraction) contacts of the loaded organic solvent with either a 1-hydroxyethane-1, 1-diphosphonic acid (HEDPA) in nitric acid solution or an oxalic acid in nitric acid solution, and solvent wash contacts with sodium carbonate were performed.

Herbst, R.S.; Brewer, K.N.; Garn, T.G.; Law, J.D.; Rodriguez, A.M.; Tillotson, R.T.

1996-01-01T23:59:59.000Z

248

Chloride removal from plutonium-aluminum alloy dissolver solution prior to purex solvent extraction  

Science Conference Proceedings (OSTI)

The Savannah River Plant (SRP), operated by E. I. du Pont de Nemours Co. for the United States Department of Energy, has successfully recovered plutonium from plutonium-aluminum alloy processed through the F-Canyon Separations facility. The alloy, produced at the Rocky Flats Plant, results from recovery of plutonium residues from spent chloride salts from pyrochemical processing. The alloy, termed scrub alloy'' or Rocky Flats scrub alloy'' (RFSA), contains up to 15 weight percent chloride impurity prior to mercuric ion catalyzed dissolution with fluoride-containing nitric acid. Solutions containing 850 to 3000 {mu}g/mL (parts per million) of chloride result. During subsequent Purex solvent extraction of this solution with 30% tri-n-butyl phosphate in normal paraffin diluent, chloride is rejected to the aqueous waste stream. This stream is eventually evaporated for waste treatment and acid recovery. Chloride concentrations in the product streams, subject to further processing, must be less than 100 {mu}g/mL to prevent excessive corrosion of equipment. This paper describes scrub alloy production at RFP, its dissolution and head end treatment to remove chloride, chloride values in subsequent processing streams including environmental discharges, and the turbidimetric analysis technique. 2 tabs.

Holcomb, H.P.

1990-01-01T23:59:59.000Z

249

Factors influencing biological treatment of MTBE contaminated ground water  

DOE Green Energy (OSTI)

Methyl tert-butyl ether (MTBE) contamination has complicated the remediation of gasoline contaminated sites. Many sites are using biological processes for ground water treatment and would like to apply the same technology to MTBE. However, the efficiency and reliability of MTBE biological treatment is not well documented. The objective of this study was to examine the operational and environmental variables influencing MTBE biotreatment. A fluidized bed reactor was installed at a fuel transfer station and used to treat ground water contaminated with MTBE and gasoline hydrocarbons. A complete set of chemical and operational data was collected during this study and a statistical approach was used to determine what variables were influencing MTBE treatment efficiency. It was found that MTBE treatment was more sensitive to up-set than gasoline hydrocarbon treatment. Events, such as excess iron accumulation, inhibited MTBE treatment, but not hydrocarbon treatment. Multiple regression analysis identified biomass accumulation and temperature as the most important variables controlling the efficiency of MTBE treatment. The influent concentration and loading of hydrocarbons, but not MTBE, also impacted MTBE treatment efficiency. The results of this study suggest guidelines for improving MTBE treatment. Long cell retention times in the reactor are necessary for maintaining MTBE treatment. The onset of nitrification only occurs when long cell retention times have been reached and can be used as an indicator in fixed film reactors that conditions favorable to MTBE treatment exist. Conversely, if the reactor can not nitrify, it is unlikely to have stable MTBE treatment.

Stringfellow, William T.; Hines Jr., Robert D.; Cockrum, Dirk K.; Kilkenny, Scott T.

2001-09-14T23:59:59.000Z

250

Heterogeneous catalytic process for alcohol fuels from syngas. Final technical report  

DOE Green Energy (OSTI)

The primary objective of this project has been the pursuit of a catalyst system which would allow the selective production from syngas of methanol and isobutanol. It is desirable to develop a process in which the methanol to isobutanol weight ratio could be varied from 70/30 to 30/70. The 70/30 mixture could be used directly as a fuel additive, while, with the appropriate downstream processing, the 30/70 mixture could be utilized for methyl tertiary-butyl ether (MTBE) synthesis. The indirect manufacture of MTBE from a coal derived syngas to methanol and isobutanol process would appear to be a viable solution to MTBE feedstock limitations. To become economically attractive, a process fro producing oxygenates from coal-derived syngas must form these products with high selectivity and good rates, and must be capable of operating with a low-hydrogen-content syngas. This was to be accomplished through extensions of known catalyst systems and by the rational design of novel catalyst systems.

Dombek, B.D.

1996-03-01T23:59:59.000Z

251

Protective coatings and sealants for solar applications  

DOE Green Energy (OSTI)

An aging study has been completed which evaluated a number of polymeric materials for potential use as (1) protective coatings for back surfaces of mirrors and (2) solar heliostat edge seals. These investigations were conducted in an artificial weathering chamber that accelerated thermal cycling. The primary mirror failure mode was observed to be silver corrosion resulting from moisture exposure. To increase mirror longevity in current heliostat designs, intimate bonding at all the composite interfaces is essential to minimize moisture pathways to the silvered surface. If any voids or delaminations are present, mirror degradation will eventually occur. Delaminations can also occur as the result of mechanical stresses brought about by mismatches in the various materials coefficients of thermal expansion. If good bonding cannot be achieved or mechanical stresses avoided, then improved moisture barriers must be designed to assure mirror longevity. With good adhesion, a KRATON rubber was found to exhibit superior back surface mirror protection (12 months in environmental chamber with no corrosion). An ultraviolet stabilized butyl rubber appeared to be the best edge seal. All heliostats edge sealed with silicones showed silver corrosion which indicated either poor bonding or moisture permeation.

Wischmann, K. B.; Gonzales, M. H.

1980-09-01T23:59:59.000Z

252

Retention indices, relative response factors, and mass spectra of trifluoroethyl and heptafluorobutyl esters of carboxylic acids determined by capillary GC/MS  

SciTech Connect

The GC/MS characteristics of carboxylic acid esters prepared from fluorine-containing alcohols were compared to those of methyl esters. The GC retention of 2,2,2-trifluoroethyl (TFE) esters was less than, and 2,2,3,3,4,4,4-heptafluoro-1-butyl (HFB) esters approximately equivalent to that of methyl esters. The peak shape of both TFE and HFB esters was slightly superior to that of methyl esters. Mass spectra of TFE and HFB aliphatic esters show significantly more intense molecular and key fragment ions than those of methyl esters. Also, owing to their significantly higher molecular weights, TFE or HFB ester molecular ions and most fragment ions of interest occur at significantly higher m/z values than most potential interfering ions. The GC retention indices, relative GC/MS total ion current response factors, and 70 eV electron impact mass spectra of about 70 TFE and 70 HFB carboxylic acid esters are reported. Results from analysis of a TFE/HFB esterified petroleum carboxylic acid concentrate are discussed in detail. 26 refs., 17 figs., 3 tabs.

Yu, S.K.-T.; Vrana, R.P.; Green, J.B.

1990-11-01T23:59:59.000Z

253

Synthesis of octane enhancers during slurry-phase Fischer-Tropsch. Quarterly technical progress report No. 6, January 1, 1992--March 31, 1992  

DOE Green Energy (OSTI)

The objective of this project is to investigate three possible routes to the formation of ethers, in particular methyl tert-butyl ether (MTBE), during slurry phase Fischer-Tropsch reaction. The three reaction schemes to be investigated are: (1) Addition of isobutylene during the formation of methanol and/or higher alcohols directly from CO and H{sub 2} during slurry-phase Fischer-Tropsch. (2) Addition of isobutylene to FT liquid products including alcohols in a slurry-phase reactor containing an MTBE or other acid catalyst. (3) Addition of methanol to slurry phase FT synthesis making iso-olefins. During the sixth quarter we completed the construction of the slurry bubble column reactor (SBCR), conducted initial shake-down experiments in a cold-flow mode, and finalized the selection process of the acid catalysts for conversion of syngas-produced alcohols and isobutylene to MTBE (scheme 2). Tasks 3, 4, and 5 are awaiting complete implementation of the SBCR system.

Marcelin, G.

1992-06-24T23:59:59.000Z

254

Catalyst and process development for synthesis gas conversion to isobutylene. Final report, September 1, 1990--January 31, 1994  

DOE Green Energy (OSTI)

This project was initiated because the supply of isobutylene had been identified as a limitation on the production of methyl-t-butyl ether, a gasoline additive. Prior research on isobutylene synthesis had been at low conversion (less than 5%) or extremely high pressures (greater than 300 bars). The purpose of this research was to optimize the synthesis of a zirconia based catalyst, determine process conditions for producing isobutylene at pressures less than 100 bars, develop kinetic and reactor models, and simulate the performance of fixed bed, trickle bed and slurry flow reactors. A catalyst, reactor models and optimum operating conditions have been developed for producing isobutylene from coal derived synthesis gas. The operating conditions are much less severe than the reaction conditions developed by the Germans during and prior to WWII. The low conversion, i.e. CO conversion less than 15%, have been perceived to be undesirable for a commercial process. However, the exothermic nature of the reaction and the ability to remove heat from the reactor could limit the extent of conversion for a fixed bed reactor. Long residence times for trickle or slurry (bubble column) reactors could result in high CO conversion at the expense of reduced selectivities to iso C{sub 4} compounds. Economic studies based on a preliminary design, and a specific location will be required to determine the commercial feasibility of the process.

Anthony, R.G.; Akgerman, A.; Philip, C.V.; Erkey, C.; Feng, Z.; Postula, W.S.; Wang, J.

1995-03-01T23:59:59.000Z

255

Radiation Laboratory, University of Notre Dame. Quarterly report, April 1, 1977--June 30, 1977. [One paragraph summaries of various investigations  

DOE Green Energy (OSTI)

Investigations in progress include: ionization potentials of H/sub 2/O from molecular orbital and valence bond wavefunctions; early events in pulse-irradiated polar liquids; epithermal trapping of electrons; range of photoionized electrons in high-mobility liquids using field-dependent mobility; scattering of exciton by the impurity; model molecular orbital studies of the chemisorption of atomic hydrogen and oxygen on aluminium surfaces; laser induced fluorescence and the geometry of the excited states of tetra-methyl cyclobutanedione; fluorescence studies of hydrogen adduct and raman studies of radical anion; energy transfer studies between electronically excited atoms and ground state molecules; kinetics and chemically induced electron polarization (CIDP) of transient radicals in solution by modulation ESR spectroscopy, CIDP of t-butyl radicals in solutions; ESR spectra of phosphate, sulfate, and hydroxyl radical adducts to unsaturated carboxylic acids; high-field conduction in thin-film alkali halides; electron reactions in the gas phase; interaction of triplet biradicals with ground state molecular oxygen; reactions of Cl/sub 2//sup -/ radicals with organic compounds; oxidation of Ni(II) macrocyclic complexes by OH radicals; photochemical reactions of Cu(II) complexes with macrocyclic ligands; fast reaction kinetics in fatty acid soap aggregates; the dynamics of probe molecules in a micelle environment; the effect of a micellar phase on the state and dynamics of some excited state charge transfer complexes; and conformation studies of fluorescent copolymers in aqueous solutions. Abstracts of reports published this quarter are provided. (LK)

Not Available

1977-07-13T23:59:59.000Z

256

Simultaneous separation of cesium and strontium from spent nuclear fuel using the fission-product extraction process  

Science Conference Proceedings (OSTI)

The Fission-Product Extraction (FPEX) Process is being developed as part of the United States Department of Energy Global Nuclear Energy Partnership (GNEP) for the simultaneous separation of cesium and strontium from spent LWR fuel. Separation of the Cs and Sr will reduce the short-term heat load in a geological repository and, when combined with the separation of Am and Cm, could increase the capacity of the geological repository by a factor of approximately 100. The FPEX process is based on two highly-specific extractants: 4,4',(5')-di-(t-butyl-dicyclohexano)- 18-crown-6 (DtBuCH18C6) and calix[4]arene-bis-(t-octyl-benzo-crown-6 ) (BOBCalixC6). The DtBuCH18C6 extractant is selective for strontium, and the BOBCalixC6 extractant is selective for cesium. Results of flowsheet testing of the FPEX process with simulated and actual spent-nuclear-fuel feed solution in centrifugal contactors are detailed. Removal efficiencies, co-extraction of metals, and process hydrodynamic performance ar e discussed along with recommendations for future flowsheet testing with actual spent nuclear fuel. Recent advances in the evaluation of alternative calixarenes with increased solubility and stability are also detailed. (authors)

Law, J.D.; Peterman, D.R.; Riddle, C.L.; Meikrantz, D.A.; Todd, T.A. [Idaho National Laboratory, P.O. Box 1625, Idaho Falls, Idaho 83415-3870 (United States)

2008-07-01T23:59:59.000Z

257

The experimental and theoretical determination of combinatorial kinetic isotope effects for mechanistic analysis  

E-Print Network (OSTI)

Unfortunately, chemists can never experimentally unravel a full reaction pathway. Even our ability to define key aspects of mechanisms, such as short-lived intermediates and the even more ephemeral transition states, is quite limited, requiring subtle experiments and subtle interpretations. Arguably the most important knowledge to be gained about the mechanism of a reaction is the structure and geometry of the transition state at the rate-limiting step, as this is where a reaction’s rate and selectivity are generally decided. The Singleton group has developed a methodology for predicting the combinatorial kinetic isotope effects (KIEs) at every atomic position, typically carbon or hydrogen, at natural abundance. A combination of experimental isotope effects and density functional theory (DFT) calculations has greatly aided our ability to predict and understand a reaction’s pathway and transition state geometries. Precise application of this method has allowed for the mechanistic investigation of a myriad of bioorganic, organic, and organometallic reactions. The technique has been applied in the analysis of the catalytic borylation of arenes via C-H bond activation, dynamic effects in the enyne allene cyclization, palladium catalyzed allylic alkylation, the nature of proton transfer in orotate decarboxylase, and the epoxidation of enones with t-butyl hydroperoxide.

Christian, Chad F.

2007-05-01T23:59:59.000Z

258

Effects of 2-acetylaminofluorene, dietary fats and antioxidants on nuclear envelope cytochrome P-450  

SciTech Connect

The authors reported a marked loss of cytochrome P-450 in hepatic nuclear envelope (NE) but not in microsomes of male Sprague-Dawley rats fed a semipurified diet containing 0.05% w/w 2-acetylaminofluorene (AAF) for 3 weeks. This may reflect loss of NE capacity to detoxify AAF metabolites generated by microsomal P-450. They are now investigating if dietary effects such as progressive decrease in the incidence of AAF-induced tumors in rats fed high polyunsaturated fat diet (HPUF) vs. high saturated fat diet (HSF) vs. low fat diet (LF), and the anticarcinogenic activity of butylated hydroxytoluene (BHT; 0.3% w/w) correlate with preservation of NE P-450. Rats fed AAF HSF (25.6% w/w corn oil) showed marked loss of NE P-450 after 3 weeks; BHT protected against this loss. Rats fed AAF in HSF (25.6% w/w; 18 parts beef tallow + 2 parts corn oil), on the other hand, experienced a marked drop in NE P-450 after 9 weeks; BHT protected against this loss. Comparison of NE P-450 levels in control rats fed HPUF or HSF for 3 weeks with those of rats fed a semipurified diet with 10% fat or Purina chow (ca. 5% fat), support the prediction of an inverse correlation between the levels of dietary fat and the NE P-450 content. Studies on AAF and BHT effects using LF (2% w/w corn oil) are in progress.

Carubelli, R.; Graham, S.A.; Griffin, M.J.; McCay, P.B.

1986-05-01T23:59:59.000Z

259

Atmospheric-Pressure Chemical Vapor Deposition of Iron Pyrite Thin Films  

Science Conference Proceedings (OSTI)

Iron pyrite (cubic FeS{sub 2}) is a promising candidate absorber material for earth-abundant thin-film solar cells. In this report, single-phase, large-grain, and uniform polycrystalline pyrite thin films are fabricated on glass and molybdenum-coated glass substrates by atmospheric-pressure chemical vapor deposition (AP-CVD) using the reaction of iron(III) acetylacetonate and tert-butyl disulfide in argon at 300 C, followed by sulfur annealing at 500--550 C to convert marcasite impurities to pyrite. The pyrite-marcasite phase composition depends strongly on the concentration of sodium in the growth substrate and the sulfur partial pressure during annealing. Phase and elemental composition of the films are characterized by X-ray diffraction, Raman spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry, Rutherford backscattering spectrometry, and X-ray photoelectron spectroscopy. The in-plane electrical properties are surprisingly insensitive to phase and elemental impurities, with all films showing p-type, thermally activated transport with a small activation energy ({approx}30 meV), a room- temperature resistivity of {approx}1 {Omega} cm, and low mobility. These ubiquitous electrical properties may result from robust surface effects. These CVD pyrite thin films are well suited to fundamental electrical studies and the fabrication of pyrite photovoltaic device stacks.

Berry, Nicholas; Cheng, Ming; Perkins, Craig L.; Limpinsel, Moritz; Hemminger, John C.; Law, Matt (NREL); (UCI)

2012-10-23T23:59:59.000Z

260

Reduced Water Density in a Poly(ethylene oxide) Brush  

Science Conference Proceedings (OSTI)

A model poly(ethylene oxide) (PEO) brush system, prepared by spreading a poly(ethylene oxide)-poly(n-butyl acrylate) (PEO-PnBA) amphiphilic diblock copolymer onto an air-water interface, was investigated under various grafting density conditions by using the X-ray reflectivity (XR) technique. The overall electron density profiles of the PEO-PnBA monolayer in the direction normal to the air-water interface were determined from the XR data. From this analysis, it was found that inside of the PEO brush, the water density is significantly lower than that of bulk water, in particular, in the region close to the PnBA-water interface. Separate XR measurements with a PnBA homopolymer monolayer confirm that the reduced water density within the PEO-PnBA monolayer is not due to unfavorable contacts between the PnBA surface and water. The above result, therefore, lends support to the notion that PEO chains provide a hydrophobic environment for the surrounding water molecules when they exist as polymer brush chains.

Lee, Hoyoung; Kim, Dae Hwan; Park, Hae-Woong; Mahynski, Nathan A.; Kim, Kyungil; Meron, Mati; Lin, Binhua; Won, You-Yeon (Purdue); (UC)

2012-09-05T23:59:59.000Z

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.


261

Supported Room Temperature Ionic Liquid Membranes for CO{sub 2}/CH{sub 4} Separation  

SciTech Connect

Room temperature ionic liquids (RTILs) are organic salts which are liquid at or around room temperature. These compounds exhibit many outstanding physical properties such as great thermal stability and no measurable vapor pressure. In this work supported ionic liquid membranes (SILMs) were prepared by impregnating pores of ?-alumina inorganic supports with various ionic liquids. In addition to membranes prepared with pure RTILs we were able to synthesize membranes with RTIL mixtures using 1-aminopyridinium iodide dissolved in 1-butyl-4-methylpyridinium tetrafluoroborate or methyltrioctylammonium bis(trifluoromethylsulfonyl)imide. This combination of an RTIL with an organic salt containing an amine group dramatically improved the membrane separation properties. The SILMs displayed CO{sub 2} permeance on the order of 5 × 10{sup ?10} to 5 × 10{sup ?9} mol m{sup ?2} s{sup ?1} Pa{sup ?1} combined with CO{sub 2}/CH{sub 4} selectivity of 5–30. Although these values are comparable with the current systems for CO{sub 2} purification, CO{sub 2} permeance is still rather low for these compounds.

Iarikov, D. D.; Hacarlioglu, P.; Oyama, S. T.

2011-01-01T23:59:59.000Z

262

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 batch equilibration procedure. The organoclay composites sorbed significantly more atrazine than the Houston Black clay. Adsorption equilibrium was reached after 72 h for the organoclay composites. Atrazine adsorption isotherms were described by linear partitioning. The Koc values ranged from 605 to 5271 L kg-1 for the organoclay composites compared to a value of 41 L kg-1 for the Houston Black clay. The organoclay composite containing 20% surfactant on a total weight basis provided the most efficient adsorption of atrazine, although organoclay composites containing much lower amounts of surfactant also adsorbed significant amounts of atrazine. An average of 11% of sorbed atrazine was released during desorption. Characterization of desorption products showed only atrazine molecules being released from the organoclay composites.

Neitsch, Susan Lynn

2005-05-01T23:59:59.000Z

263

Isotopic Tracing of Particulate Matter from a Compression Ignition Engine Fueled with Ethanol-in-Diesel Blends  

DOE Green Energy (OSTI)

Accelerator Mass Spectrometry (AMS) was used to investigate the relative contribution to diesel engine particulate matter (PM) from the ethanol and diesel fractions of blended fuels. Four test fuels along with a diesel fuel baseline were investigated. The test fuels were comprised of {sup 14}C depleted diesel fuel mixed with contemporary grain ethanol (>400 the {sup 14}C concentration of diesel). An emulsifier (Span 85) or cosolvent (butyl alcohol) was used to facilitate mixing. The experimental test engine was a 1993 Cummins B5.9 diesel rated at 175 hp at 2500 rpm. Test fuels were run at steady-state conditions of 1600 rpm and 210 ft-lbs, and PM samples were collected on quartz filters following dilution of engine exhaust in a mini-dilution tunnel. AMS analysis of the filter samples showed that the ethanol contributed less to PM relative to its fraction in the fuel blend. For the emulsified blends, 6.4% and 10.3% contributions to PM were observed for 11.5% and 23.0% ethanol fuels, respectively. For the cosolvent blends, even lower contributions were observed (3.8% and 6.3% contributions to PM for 12.5% and 25.0% ethanol fuels, respectively).

Cheng, A.S.; Dibble, R.W.; Buchholz, B.

1999-11-22T23:59:59.000Z

264

(Butan-2-ol-jO)[2-({(ethylsulfanyl)- [2-(2-oxidobenzylidene-jO)hydrazinylidene-jN 2]methyl}iminomethyl)phenolato-jO]dioxidouranium(VI)  

E-Print Network (OSTI)

disorder in main residue; R factor = 0.038; wR factor = 0.078; data-to-parameter ratio = 17.4. The U atom in the title complex, [U(C17H15N3O2S)O2-(C4H10O)], exists within a distorted pentagonal–bipyramidal geometry where the oxide O atoms occupy axial positions [O—U—O = 179.61 (18) ] and the pentagonal plane is defined by the N2O2 atoms of the tetradentate Schiff base ligand and the O atom of the butan-2-ol molecule. In the crystal, centrosymmetric aggregates are formed via pairs of hydroxy–phenoxide O—H O hydrogen bonds. The azomethine C N atoms, the ethylthiolyl group and the butyl group of the butan-2-ol molecule are disordered over two positions in a 0.668 (3):0.332 (3) ratio. Related literature For background to uranyl Schiff base complexes, see: S ¸ ahin et al. (2010); Özdemir et al. (2011). For a related structure, see: Takjoo et al. (2012).

Reza Takjoo; A Atefeh Najafi; A Seik Weng Ng B; Edward R. T. Tiekink B

2012-01-01T23:59:59.000Z

265

In Situ Transmission Electron Microscopy Observation of Microstructure and Phase Evolution in a SnO2 Nanowire during Lithium Intercalation  

SciTech Connect

This paper reports development of a lithium-ion battery nanostructure device using a single nanowire for in-stu TEM study of the battery. This prototype lithium ion battery was built using a single SnO? nanowire as the anode, an air stable salt: lithium bis(trifluoromethansulfonyl) imide (LiTFSI) in a hydrophobic ionic liquid: 1-butyl-1-methylpyrrolidium TFSI (P14TFSI) as the electrolyte, and LiCoO? as the cathode. The microstructure evolution of the single nanowire anode was studied using TEM imaging, electron diffraction, and electron energy-loss spectroscopy during the operation of the battery. It has been observed that during initial charging, the electrolyte was found to decompose and subsequently be electrodeposited on the anode, leading to the formation of a coating layer on the anode. This coating layer was enriched with Li. Formation of this layer will retard the Li intercalation of SnO?. This in situ TEM observation provides direct evidence that accounts for the observed low capacity and fast fading of the Li battery when LiTFSI-P14TFSI is used as the electrolyte.

Wang, Chong M.; Xu, Wu; Liu, Jun; Zhang, Jiguang; Saraf, Laxmikant V.; Arey, Bruce W.; Choi, Daiwon; Yang, Zhenguo; Xiao, Jie; Thevuthasan, Suntharampillai; Baer, Donald R.

2011-04-08T23:59:59.000Z

266

Catalytic conversion of light alkanes. Final report, January 1, 1990--October 31, 1994  

SciTech Connect

During the course of the first three years of the Cooperative Agreement (Phase I-III), we uncovered a family of metal perhaloporphyrin complexes which had unprecedented activity for the selective air-oxidation of fight alkanes to alcohols. The reactivity of fight hydrocarbon substrates with air or oxygen was in the order: isobutane>propane>ethane>methane, in accord with their homolytic bond dissociation energies. Isobutane was so reactive that the proof-of concept stage of a process for producing tert-butyl alcohol from isobutane was begun (Phase V). It was proposed that as more active catalytic systems were developed (Phases IV, VI), propane, then ethane and finally methane oxidations will move into this stage (Phases VII through IX). As of this writing, however, the program has been terminated during the later stages of Phases V and VI so that further work is not anticipated. We made excellent progress during 1994 in generating a class of less costly new materials which have the potential for high catalytic activity. New routes were developed for replacing costly perfluorophenyl groups in the meso-position of metalloporphyrin catalysts with far less expensive and lower molecular weight perfluoromethyl groups.

1998-12-31T23:59:59.000Z

267

Initial laboratory studies into the chemical and radiological aging of organic materials in underground storage tanks at the Hanford Complex  

SciTech Connect

The underground storage tanks at the Hanford Complex contain wastes generated over many years from plutonium production and recovery processes, and mixed wastes from radiological degradation processes. The chemical changes of the organic materials used in the extraction processes have a direct bearing on several specific safety issues, including potential energy releases from these tanks. The major portion of organic materials that have been added to the tanks consists of tributyl phosphate, dibutyl phosphate, butyl alcohol, hexone (methyl isobutyl ketone), normal paraffin hydrocarbons (NPH), ethylenediaminetetraacetic acid (EDTA), hydroxyethylethylenediaminetriadetic acid (HEDTA), other complexants, and lesser quantities of ion exchange polymers and minor organic compounds. A study of how thermal and radiological processes that may have changed the composition of organic tanks constituents has been initiated after a review of the open literature revealed little information was available about the rates and products of these processes under basic pH conditions. This paper will detail the initial findings as they relate to gas generation, e.g. H{sub 2}, CO, NH{sub 3}, CH{sub 4}, and to changes in the composition of the organic and inorganic components brought about by ``Aging`` processes.

Samuels, W.D.; Camaioni, D.M. [Pacific Northwest Lab., Richland, WA (United States); Babad, H. [Westinghouse Hanford Co., Richland, WA (United States)

1994-03-01T23:59:59.000Z

268

SOLVENT HOLD TANK SAMPLE RESULTS FOR MCU-13-814, MCU-13-815, MCU-13-816, MCU-13,817, MCU-13-818 AND MCU-13-819: QUARTERLY SAMPLE FROM MAY 2013  

SciTech Connect

Savannah River National Laboratory (SRNL) analyzed solvent samples from Modular Caustic-Side Solvent Extraction Unit (MCU) in support of continuing operations. A quarterly analysis of the solvent is required to maintain solvent composition within specifications. Analytical results of the analyses of Solvent Hold Tank (SHT) samples MCU-13-814, MCU-13-815, MCU-13-816, MCU-13-817, MCU-13-818 and MCU-13- 819 received May 28, 2013 are reported. The results show that the solvent at MCU does not require an Isopar® L addition, but it will require addition of trioctylamine despite of the 272 g of TOA that was added to the solvent on June 5, 2013 based on the solvent containing a TOA level of 45% of nominal. A new TOA analysis method (HCl titration) has been used and its output was statistically similar to the results from the SVOA-TOA method. This method provides an independent method for measuring TOA and TiDG in MCU-NG solvent. An impurity containing a tert-butyl group was detected in the solvent and further analytical analysis is needed to identify it. SRNL recommends determining the impact of this impurity on the mass transfer ability of the solvent. SRNL also analyzed the SHT sample for {sup 137}Cs content and determined the measured value is above the results observed from the January 2013.

Fondeur, F.; Taylor-Pashow, K.

2013-08-13T23:59:59.000Z

269

Catalytic conversion of light alkanes, Phase 3. Topical report, January 1990--December 1992  

DOE Green Energy (OSTI)

The mission of this work is to devise a new catalyst which can be used in the first simple, economic process to convert the light alkanes in natural gas to an alcohol-rich oxygenated product which can either be used as an environmentally friendly, high-performance liquid fuel, or a precursor to a liquid hydrocarbon transportation fuel. The authors have entered the proof-of-concept stage for converting isobutane to tert butyl alcohol in a practical process and are preparing to enter proof-of-concept of a propane to isopropyl alcohol process in the near future. Methane and ethane are more refractory and thus more difficult to oxidize than the C{sub 3} and C{sub 4} hydrocarbons. Nonetheless, advances made in this area indicate that further research progress could achieve the goal of their direct conversion to alcohols. Progress in Phase 3 catalytic vapor phase methane and ethane oxidation over metals in regular oxidic lattices are the subject of this topical report.

NONE

1992-12-31T23:59:59.000Z

270

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

DOE Patents (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

271

Soft ionization of thermally evaporated hypergolic ionic liquid aerosols  

Science Conference Proceedings (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); Institute of Chemistry, Hebrew University; Koh, Christine J.; Liu, Chen-Lin; Harmon, Christopher W.; Strasser, Daniel; Golan, Amir; Kostko, Oleg; Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; Leone, Stephen R.

2011-07-19T23:59:59.000Z

272

A Comparison of Electron-Transfer Dynamics inIonic Liquids and Neutral Solvents  

DOE Green Energy (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

273

Metabolic analysis of the soil microbe Dechloromonas aromatica str. RCB: indications of a surprisingly complex life-style and cryptic anaerobic pathways for aromatic degradation  

Science Conference Proceedings (OSTI)

Initial interest in Dechloromonas aromatica strain RCB arose from its ability to anaerobically degrade benzene. It is also able to reduce perchlorate and oxidize chlorobenzoate, toluene, and xylene, creating interest in using this organism for bioremediation. Little physiological data has been published for this microbe. It is considered to be a free-living organism. The a priori prediction that the D. aromatica genome would contain previously characterized 'central' enzymes involved in anaerobic aromatic degradation proved to be false, suggesting the presence of novel anaerobic aromatic degradation pathways in this species. These missing pathways include the benzyl succinyl synthase (bssABC) genes (responsible for formate addition to toluene) and the central benzoylCoA pathway for monoaromatics. In depth analyses using existing TIGRfam, COG, and InterPro models, and the creation of de novo HMM models, indicate a highly complex lifestyle with a large number of environmental sensors and signaling pathways, including a relatively large number of GGDEF domain signal receptors and multiple quorum sensors. A number of proteins indicate interactions with an as yet unknown host, as indicated by the presence of predicted cell host remodeling enzymes, effector enzymes, hemolysin-like proteins, adhesins, NO reductase, and both type III and type VI secretory complexes. Evidence of biofilm formation including a proposed exopolysaccharide complex with the somewhat rare exosortase (epsH), is also present. Annotation described in this paper also reveals evidence for several metabolic pathways that have yet to be observed experimentally, including a sulphur oxidation (soxFCDYZAXB) gene cluster, Calvin cycle enzymes, and nitrogen fixation (including RubisCo, ribulose-phosphate 3-epimerase, and nif gene families, respectively). Analysis of the D. aromatica genome indicates there is much to be learned regarding the metabolic capabilities, and life-style, for this microbial species. Examples of recent gene duplication events in signaling as well as dioxygenase clusters are present, indicating selective gene family expansion as a relatively recent event in D. aromatica's evolutionary history. Gene families that constitute metabolic cycles presumed to create D. aromatica's environmental 'foot-print' indicate a high level of diversification between its predicted capabilities and those of its close relatives, A. aromaticum str EbN1 and Azoarcus BH72.

Salinero, Kennan Kellaris; Keller, Keith; Feil, William S.; Feil, Helene; Trong, Stephan; Di Bartolo, Genevieve; Lapidus, Alla

2008-11-17T23:59:59.000Z

274

Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base  

Science Conference Proceedings (OSTI)

Four derivatives of a hydrogen oxidation catalyst, [Ni(PCy2NBn-R2)]2+ (Cy=cyclohexyl, Bn=benzyl, R= OMe, COOMe, CO-Alanine-methyl ester or CO-Phenylalanine-methyl ester), have been prepared to investigate steric and electronic effects on catalysis. Each complex was characterized spectroscopically and electrochemically, and thermodynamic data were determined. Crystal structures are also reported for the -OMe and -COOMe derivatives. All four catalysts were found to be active for H2 oxidation. The methyl ester (R = COOMe) and amino acid ester containing complexes (R = CO-Alanine-methyl ester or CO-Phenylalanine-methyl ester) had slower rates (4 s-1) than that of the parent complex (10 s-1), in which R = H, consistent with the lower amine pKa’s and less favorable ?GH2’s found for these electron-withdrawing substituents. Dynamic processes for the amino acid ester containing complexes were also investigated and found not to hinder catalysis. The electron-donating methoxy ether derivative (R = OMe) was prepared to compare electronic effects and has a similar catalytic rate as the parent complex. In the course of these studies, it was found that water could act as a weak base for H2 oxidation, although catalytic turnover requires a significantly higher potential and utilizes a different sequence of catalytic steps than when using a base with a higher pKa. Importantly, these catalysts provide a foundation upon which larger peptides can be attached to [Ni(PCy2NBn2)2]2+ hydrogen oxidation catalysts in order to more fully investigate and implement the effects of the outer-coordination sphere. This work was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences (SL and WJS), by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (JR), and by the US DOE Basic Energy Sciences, Chemical Sciences, Geoscience and Biosciences Division (AMA, AJ). Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A.; Appel, Aaron M.; Shaw, Wendy J.

2012-10-08T23:59:59.000Z

275

Proton Delivery and Removal in [Ni(PR2NR?2)2]2+ Hydrogen Production and Oxidation Catalysts  

SciTech Connect

To examine the role of proton delivery and removal in the electrocatalytic oxidation and production of hydrogen by [Ni(PR2NR´)2]2+ (where PR2NR´2 is 1,5-R´-3,7-R-1,5-diaza-3,7-diphosphacyclooctane), we report experimental and theoretical studies of the intermolecular proton exchange reactions underlying the isomerization of [Ni(PCy2NBn2H)2]2+ (Cy = cyclohexyl, Bn = benzyl) species formed during the stochiometric oxidation of H2 by [NiII(PCy2NBn2)2]2+ or the protonation of [Ni0(PCy2NBn2)2]. The three isomers formed differ by the position of the N-H bond with respect to the nickel (endo-endo, endo-exo, or exo-exo) and only the endo-endo isomer is catalytically active. We have found that the rate of isomerization is limited by proton removal from and delivery to the complex. In particular, steric hindrance disfavors the catalytically active protonation site (endo to the metal) in favor of inactive protonation (exo to the metal). The ramifications to catalysis of poor accessibility of the endo site and protonation at the exo site are discussed. In hydrogen oxidation, deprotonation of the sterically hindered endo position by an external base may lead to slow catalytic turnover. As for hydrogen production, the limited accessibility of the endo position can result in the formation of exo protonated species, which must undergo one or more isomerization steps to generate the catalytically active endo protonated species. These studies highlight the importance of precise proton delivery, and the mechanistic details described herein will guide future catalyst design. This research was carried out in the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. WJS was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle. Computational resources were provided at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at Pacific Northwest National Laboratory; the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory; and the Jaguar supercomputer at Oak Ridge National Laboratory (INCITE 2008-2011 award supported by the Office of Science of the U.S. DOE under Contract No. DE-AC0500OR22725).

O'Hagan, Molly J.; Ho, Ming-Hsun; Yang, Jenny Y.; Appel, Aaron M.; Rakowski DuBois, Mary; Raugei, Simone; Shaw, Wendy J.; DuBois, Daniel L.; Bullock, R. Morris

2012-11-28T23:59:59.000Z

276

THERMOGRAVIMETRIC CHARACTERIZATION OF GLOVEBOX GLOVES  

DOE Green Energy (OSTI)

An experimental project was initiated to characterize mass loss when heating different polymer glovebox glove material samples to three elevated temperatures, 90, 120, and 150 C. Samples from ten different polymeric gloves that are being considered for use in the tritium gloveboxes were tested. The intent of the study was to determine the amount of material lost. These data will be used in a subsequent study to characterize the composition of the material lost. One goal of the study was to determine which glove composition would least affect the glovebox atmosphere stripper system. 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 most mass loss was experienced by Jung butyl-Hypalon{reg_sign} at 146 C with 12.9% mass loss followed by Piercan Hypalon{reg_sign} at 144 C with 11.4 % mass loss and Jung butyl-Viton{reg_sign} at 140 C with 5.2% mass loss. The least mass loss was experienced by the Jung Viton{reg_sign} and the Piercan polyurethane. Unlike the permeation testing (1) the vendor and fabrication route influences the amount of gaseous species that is evolved. Additional testing to characterize these products is recommended. Savannah River Site (SRS) has many gloveboxes deployed in the Tritium Facility. These gloveboxes are used to protect the workers and to ensure a suitable environment in which to handle tritium gas products. The gas atmosphere in the gloveboxes is purified using a stripper system. The process gas strippers collect molecules that may have hydrogen or its isotopes attached, e.g., waters of hydration, acids, etc. Recently, sulfur containing compounds were detected in the stripper system and the presence of these compounds accelerates the stripper system's aging process. This accelerated aging requires the strippers to be replaced more often which can impact the facility's schedule and operational cost. It was posited that sulfur bearing and other volatile compounds were derived from glove off-gassing. Due to the large number of gloves in the facility, small mass loss from each glove could result in a significant total mass of undesirable material entering the glovebox atmosphere and subsequently the stripper system. A thermogravimetric analysis (TGA) study was conducted to determine the amount of low temperature volatiles that may be expected to offgas from the gloves. The data were taken on relatively small samples but are normalized with respect to the sample's surface area. Additional testing is needed to determine the composition of the off-gassing species. The TGA study was conducted to ascertain the magnitude of the issue and to determine if further experimentation is warranted or necessary.

Korinko, P.

2012-02-29T23:59:59.000Z

277

Carbon Dioxide Separation with Supported Ionic Liquid Membranes  

DOE Green Energy (OSTI)

Supported liquid membranes are a class of materials that allow the researcher to utilize the wealth of knowledge available on liquid properties as a direct guide in the development of a capture technology. These membranes also have the advantage of liquid phase diffusivities higher than those observed in polymeric membranes which grant proportionally greater permeabilities. The primary shortcoming of the supported liquid membranes demonstrated in past research has been the lack of stability caused by volatilization of the transport liquid. Ionic liquids, which possess high carbon dioxide solubility relative to light gases such as hydrogen, are an excellent candidate for this type of membrane since they have negligible vapor pressure and are not susceptible to evaporation. A study has been conducted evaluating the use of several ionic liquids, including 1-hexyl-3-methyl-imidazolium bis(trifuoromethylsulfonyl)imide, 1-butyl-3-methyl-imidazolium nitrate, and 1-ethyl-3-methyl-imidazolium sulfate in supported ionic liquid membranes for the capture of carbon dioxide from streams containing hydrogen. In a joint project, researchers at the University of Notre Dame lent expertise in ionic liquid synthesis and characterization, and researchers at the National Energy Technology Laboratory incorporated candidate ionic liquids into supports and evaluated the resulting materials for membrane performance. Initial results have been very promising with carbon dioxide permeabilities as high as 950 barrers and significant improvements in carbon dioxide/hydrogen selectivity over conventional polymers at 37C and at elevated temperatures. Results include a comparison of the performance of several ionic liquids and a number of supports as well as a discussion of innovative fabrication techniques currently under development.

Luebke, D.R.; Ilconich, J.B.; Myers, C.R.; Pennline, H.W.

2007-04-01T23:59:59.000Z

278

Microporous Metal Organic Materials for Hydrogen Storage  

DOE Green Energy (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

279

Sorption of organic gases in a furnished room  

NLE Websites -- All DOE Office Websites (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

280

Systematic approach for chemical reactivity evaluation  

E-Print Network (OSTI)

Under certain conditions, reactive chemicals may proceed into uncontrolled chemical reaction pathways with rapid and significant increases in temperature, pressure, and/or gas evolution. Reactive chemicals have been involved in many industrial incidents, and have harmed people, property, and the environment. Evaluation of reactive chemical hazards is critical to design and operate safer chemical plant processes. Much effort is needed for experimental techniques, mainly calorimetric analysis, to measure thermal reactivity of chemical systems. Studying all the various reaction pathways experimentally however is very expensive and time consuming. Therefore, it is essential to employ simplified screening tools and other methods to reduce the number of experiments and to identify the most energetic pathways. A systematic approach is presented for the evaluation of reactive chemical hazards. This approach is based on a combination of computational methods, correlations, and experimental thermal analysis techniques. The presented approach will help to focus the experimental work to the most hazardous reaction scenarios with a better understanding of the reactive system chemistry. Computational methods are used to predict reaction stoichiometries, thermodynamics, and kinetics, which then are used to exclude thermodynamically infeasible and non-hazardous reaction pathways. Computational methods included: (1) molecular group contribution methods, (2) computational quantum chemistry methods, and (3) correlations based on thermodynamic-energy relationships. The experimental techniques are used to evaluate the most energetic systems for more accurate thermodynamic and kinetics parameters, or to replace inadequate numerical methods. The Reactive System Screening Tool (RSST) and the Automatic Pressure Tracking Adiabatic Calorimeter (APTAC) were employed to evaluate the reactive systems experimentally. The RSST detected exothermic behavior and measured the overall liberated energy. The APTAC simulated near-adiabatic runaway scenarios for more accurate thermodynamic and kinetic parameters. The validity of this approach was investigated through the evaluation of potentially hazardous reactive systems, including decomposition of di-tert-butyl peroxide, copolymerization of styrene-acrylonitrile, and polymerization of 1,3-butadiene.

Aldeeb, Abdulrehman Ahmed

2003-12-01T23:59:59.000Z

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to obtain the most current and comprehensive results.


281

Predicted concentrations in new relocatable classrooms of volatile organic compounds emitted from standard and alternate interior finish materials  

SciTech Connect

Relocatable classrooms (RCs) are widely employed by California school districts to satisfy rapidly expanding space requirements due to population growth and class size reduction policies. There is public concern regarding indoor environmental quality (IEQ) in schools, particularly in RCs, but very little data to support or dispel these concerns. Several studies are investigating various aspects of IEQ in California schools. This laboratory-based study focused on evaluating the emissions of toxic and/or odorous volatile organic compounds (VOCs), including formaldehyde and acetaldehyde, from materials used to finish the interiors of new RCs. Furthermore, the study implemented a procedure for VOC source reduction by testing and selecting lower-emitting materials as substitutes for standard materials. In total, 17 standard and alternate floor coverings, wall panels and ceiling panels were quantitatively tested for emissions of VOCs using smallscale environmental chambers. Working with the largest northern California manufacturer of conventional RCs and two school districts, specifications were developed for four new RCs to be produced in early summer 2001. Two of these will be predominantly finished with standard materials. Alternate carpet systems, an alternate wall panel covering and an alternate ceiling panel were selected for the two other RCs based on the results of the laboratory study and considerations of cost and anticipated performance and maintenance. Particular emphasis was placed on reducing the concentrations of VOCs on California agency lists of toxic compounds. Indoor concentrations of toxic and odorous VOCs were estimated for the four classrooms by mass balance using the measured VOC emission factors, exposed surface areas of the materials in the RCs, and three ventilation rate scenarios. Results indicate that reductions in the concentrations of formaldehyde, acetaldehyde phenol, di(ethylene glycol) butyl ether, vinyl acetate, 1,2,4-trimethylbenzene and 1-methyl-2-pyrrolidinone should be achieved as the result of the source reduction procedure.

Hodgson, Alfred T.; Fisk, William J.; Shendell, Derek G.; Apte, Michael G.

2001-07-01T23:59:59.000Z

282

Surface and Interfacial Properties of Nonaqueous-Phase Liquid Mixtures Released to the Subsurface at the Hanford Site  

Science Conference Proceedings (OSTI)

Surface and interfacial tensions that arise at the interface between different phases are key parameters affecting Nonaqueous Phase Liquid (NAPL) movement and redistribution in the vadose zone after spill events. In this study, the impact of major additive components on surface and interfacial tensions for organic mixtures and wastewater was investigated. Organic mixture and wastewater compositions are based upon carbon tetrachloride (CT) mixtures released at the Hanford site, where CT was discharged simultaneously with dibutyl butyl phosphonate (DBBP), tributyl phosphate (TBP), dibutyl phosphate (DBP), and a machining lard oil (LO). A considerable amount of wastewater consisting primarily of nitrates and metal salts was also discharged. The tension values measured in this study revealed that the addition of these additive components caused a significant lowering of the interfacial tension with water or wastewater and the surface tension of the wastewater phase in equilibrium with the organic mixtures, compared to pure CT, but had minimal effect on the surface tension of the NAPL itself. These results lead to large differences in spreading coefficients for several mixtures, where the additives caused both a higher (more spreading) initial spreading coefficient and a lower (less spreading) equilibrium spreading coefficient. This indicates that if these mixtures migrate into uncontaminated areas, they will tend to spread quickly, but form a higher residual NAPL saturation after equilibrium, as compared to pure CT. Over time, CT likely volatilizes more rapidly than other components in the originally disposed mixtures and the lard oil and phosphates would become more concentrated in the remaining NAPL, resulting in a lower interfacial tension for the mixture. Spreading coefficients are expected to increase and perhaps change the equilibrated organic mixtures from nonspreading to spreading in water-wetting porous media. These results show that the behavior of organic chemical mixtures should be accounted for in numerical flow and transport models.

Nellis, Scott; Yoon, Hongkyu; Werth, Charlie; Oostrom, Martinus; Valocchi, Albert J.

2009-05-01T23:59:59.000Z

283

Ethanol Demand in United States Production of Oxygenate-limited Gasoline  

SciTech Connect

Ethanol competes with methyl tertiary butyl ether (MTBE) to satisfy oxygen, octane, and volume requirements of certain gasolines. However, MTBE has water quality problems that may create significant market opportunities for ethanol. Oak Ridge National Laboratory (ORNL) has used its Refinery Yield Model to estimate ethanol demand in gasolines with restricted use of MTBE. Reduction of the use of MTBE would increase the costs of gasoline production and possibly reduce the gasoline output of U.S. refineries. The potential gasoline supply problems of an MTBE ban could be mitigated by allowing a modest 3 vol percent MTBE in all gasoline. In the U.S. East and Gulf Coast gasoline producing regions, the 3 vol percent MTBE option results in costs that are 40 percent less than an MTBE ban. In the U.S. Midwest gasoline producing region, with already high use of ethanol, an MTBE ban has minimal effect on ethanol demand unless gasoline producers in other regions bid away the local supply of ethanol. The ethanol/MTBE issue gained momentum in March 2000 when the Clinton Administration announced that it would ask Congress to amend the Clean Air Act to provide the authority to significantly reduce or eliminate the use of MTBE; to ensure that air quality gains are not diminished as MTBE use is reduced; and to replace the existing oxygenate requirement in the Clean Air Act with a renewable fuel standard for all gasoline. Premises for the ORNL study are consistent with the Administration announcement, and the ethanol demand curve estimates of this study can be used to evaluate the impact of the Administration principles and related policy initiatives.

Hadder, G.R.

2000-08-16T23:59:59.000Z

284

Dehydration of isobutanol to isobutene in a slurry reactor  

DOE Green Energy (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

285

Fuel cycle evaluations of biomass-ethanol and reformulated gasoline. Volume 1  

DOE Green Energy (OSTI)

The US Department of Energy (DOE) is using the total fuel cycle analysis (TFCA) methodology to evaluate energy choices. The National Energy Strategy (NES) identifies TFCA as a tool to describe and quantify the environmental, social, and economic costs and benefits associated with energy alternatives. A TFCA should quantify inputs and outputs, their impacts on society, and the value of those impacts that occur from each activity involved in producing and using fuels, cradle-to-grave. New fuels and energy technologies can be consistently evaluated and compared using TFCA, providing a sound basis for ranking policy options that expand the fuel choices available to consumers. This study is limited to creating an inventory of inputs and outputs for three transportation fuels: (1) reformulated gasoline (RFG) that meets the standards of the Clean Air Act Amendments of 1990 (CAAA) using methyl tertiary butyl ether (MTBE); (2) gasohol (E10), a mixture of 10% ethanol made from municipal solid waste (MSW) and 90% gasoline; and (3) E95, a mixture of 5% gasoline and 95% ethanol made from energy crops such as grasses and trees. The ethanol referred to in this study is produced from lignocellulosic material-trees, grass, and organic wastes -- called biomass. The biomass is converted to ethanol using an experimental technology described in more detail later. Corn-ethanol is not discussed in this report. This study is limited to estimating an inventory of inputs and outputs for each fuel cycle, similar to a mass balance study, for several reasons: (1) to manage the size of the project; (2) to provide the data required for others to conduct site-specific impact analysis on a case-by-case basis; (3) to reduce data requirements associated with projecting future environmental baselines and other variables that require an internally consistent scenario.

Tyson, K.S.

1993-11-01T23:59:59.000Z

286

Investigation of test methods, material properties, and processes for solar cell encapsulants. Eighteenth quarterly progress report, August 12-November 12, 1980  

Science Conference Proceedings (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. A survey was made of elastomers for use as gaskets for the photovoltaic module. Of the wide variety of materials examined EPDM offered the optimum combination of low compression set and low cost. The preference for EPDM is borne out by its long history of use as an automobile gasket. The commercial availability of materials that would be useful for sealants between the edge of the module and the gasket was investigated. Butyl sealants have the best combination of physical properties, low cost and a well-documented history of performance. A preferred composition has not yet been identified. One laminating type pottant ethylene/methyl acrylate copolymer (EMA), and two casting polymers, polybutyl acrylate and polyurethane, have been under investigation this past quarter. An EMA formulation has been developed which is easily extrudable and cures to a high gel content. So far only one commercial US source (Quinn) of aliphatic polyurethane has been located. Work is continuing to improve reaction rate as well as to eliminate source(s) of bubble formation during module fabrication. Considerable effort was spent in developing an improved polybutyl acrylate casting formulation providing high gel. Many viable curing systems are now available: however, the best formulation considering physical properties, freedom from bubbles as well as cure time utilizes Lupersol II (aliphatic peroxide) initiator. This initiator gives the desired gel after 20 minute cure at 45/sup 0/C or 12 minute cure at 55/sup 0/C.

Not Available

1980-12-01T23:59:59.000Z

287

Geothermal elastomeric materials. Twelve-months progress report, October 1, 1976--September 30, 1977  

DOE Green Energy (OSTI)

Progress is reported on efforts to develop elastomers for packer seal element applications which will survive downhole geothermal well chemistry at 260/sup 0/C (500/sup 0/F) for 24 hours. To achieve this development, a three level elastomer testing and evaluation program was established. The first level Screening Tests is a broad screening of potential candidates and with the end objective to filter out the more promising candidates for more expensive subsequent testing. The battery of tests include standard ASTM tests and a special test developed to test extrusion resistance using specimens all made from sheet stock. The second level or Simulation Tests provide a laboratory equivalent of downhole conditions using synthetic geothermal fluid. Full scale packer seals are tested under simulated operational conditions by a test fixture. The third level or In-Situ Tests which are currently in the planning, provide for testing the most favored materials in-situ in the geothermal well. A test module provides for testing of the specimen without interfacing with the well casing. A test module freely hanging on a wireline has much lower probability of causing a problem, such as becoming lodged in the well, as compared to an operational casing packer. This maximizes the number of wells (hence geothermal environments) where access can be gained and In-Situ Testing performed. During this period commercially available polymers were investigated. Most of the work centered around formulating peroxide cured Vitons and some on EPDMs, butyls, and resin cured Vitons. Of the formulations tested to date the EPDMs appear most promising and the peroxide cured Vitons next most promising. However, data is too sparse to make any firm conclusions at this time. Minor tasks were performed evaluating current commercially available elastomers used in oil tools and conceptualization of casing packer for the geothermal application.

Hirasuna, A.R.; Bilyeu, G.D.; Davis, D.L.; Stephens, C.A.; Veal, G.R.

1977-12-01T23:59:59.000Z

288

Sorption of organic gases in a furnished room  

SciTech Connect

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-m{sup 3} 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 C{sub 8}-C{sub 10} 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{sup -1} and partitioned 95 to >99% in the sorbed phase at equilibrium.

Singer, Brett C.; Revzan, Kenneth L.; Hotchi, Toshifumi; Hodgson, Alfred T.; Brown, Nancy J.

2003-11-30T23:59:59.000Z

289

J-aggregation of ionic liquid solutions of meso-tetrakis(4-sulfonatophenyl)porphyrin  

SciTech Connect

The title porphyrin was dissolved in the hydrophilic ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4], and triggered to assemble into J-aggregates by the addition of incremental volumes of water containing various amounts of acid (0.1, 0.2, or 1.0 M HCl). In contrast to recent studies, the current investigation is unique in that it centers on media that contain a predominant ionic liquid component (2.9 5.4 M [bmim][BF4]), as opposed to an aqueous electrolyte containing a small fraction of ionic liquid as dissociated solute. Complex aggregation and underlying photophysical behavior are revealed from absorption spectroscopy, steady-state fluorescence, and resonance light scattering studies. Upon addition of aqueous HCl, the efficient formation of H4TPPS2 J-aggregates from the diprotonated form of meso-tetrakis(4-sulfonatophenyl)porphyrin (H2TPPS4) occurs in [bmim][BF4]-rich media in a manner highly dependent upon the acidity, TPPS concentration, and solvent composition. The unique features of TPPS aggregation in this ionic liquid were elucidated, including the surprising disassembly of J-aggregates at higher aqueous contents, and our results are described qualitatively in terms of the molecular exciton theory. Finally, the potential of this system for the optical sensing of water at a sensitivity below 0.5 wt% is demonstrated. Overall, our findings accentuate how little is known about functional self-assembly within ionic liquids and suggest a number of avenues for exploring this completely untouched research landscape.

Ali, Maroof [Indian Institute of Technology, Delhi; Kumar, Vinod [ORNL; Baker, Sheila N [ORNL; Baker, Gary A [ORNL; Pandey, Siddharth [Indian Institute of Technology, Delhi

2010-01-01T23:59:59.000Z

290

Torsionally Responsive C[subscript 3]-Symmetric Azo Dyes: Azo?Hydrazone Tautomerism, Conformational Switching, and Application for Chemical Sensing  

DOE Green Energy (OSTI)

An efficient triple azo coupling reaction between anilines and phloroglucinol furnished a series of C{sub 3}-symmetric molecules 7-9 supporting multiple conjugation pathways that converge at the molecular core. A combination of {sup 1}H/{sup 13}C NMR spectroscopy, X-ray crystallography, and density functional theory computational studies provided a coherent picture of the [n,{pi}]-conjugated molecular core, which is best described as the tris(hydrazone) [rather than tris(azo)] tautomer stabilized by resonance-assisted hydrogen bonding. For a homologous series of compounds, an increase in the torsional angles between the planar molecular core and the peripheral aryl groups results in a systematic blue shift in the low-energy electronic transitions (7, 523 nm; 8, 505 nm; 9, 445 nm in CHCl{sub 3}) that qualitatively correlates with the shrinkage of effective conjugation through structural distortion. Similar spectral shifts could also be induced by amine substrates that interact with the intramolecular hydrogen-bonding network to trigger bond-twisting motions. Specifically, a brief exposure of a thin film of 7 to vapor samples of butyl-, hexyl-, diethyl-, and diisopropylamine resulted in a rapid and reversible color change from pink to dark-orange. Under similar conditions, however, triethylamine did not elicit any detectable color change, despite the fact that it has a significantly higher vapor pressure than n-hexylamine. These findings implicate that the hydrogen-bonding donor ability is a key requirement for the binding-induced conformational switching, which allows for direct naked-eye detection of volatile amines under ambient conditions.

Lee, Ho Yong; Song, Xinli; Park, Hyunsoo; Baik, Mu-Hyun; Lee, Dongwhan (Indiana)

2010-12-07T23:59:59.000Z

291

Removal of technetium from alkaline nuclear-waste media by a solvent-extraction process using crown ethers  

SciTech Connect

Crown ethers dissolved in suitably modified aliphatic kerosene diluents can be employed to extract technetium as pertechnetate anion (TcO{sub 4}{sup {minus}}) with good extraction ratios from realistic simulants of radioactive alkaline nitrate waste. The modifiers utilized are non-halogenated and non-volatile, and the technetium can be removed from the solvent by stripping using water. The crown ethers bis-4,4{prime}(5{prime})[(tert-butyl)cyclohexano]-18-crown-6 (di-t-BuCH18C6) and dicyclohexano-18-crown-6 (DCH18C6) provide stronger TcO{sub 4}{sup {minus}} extraction than dicyclohexano-21-crown-7 and 4-tert-butylcyclohexano 15-crown-5. Whereas DCH18C6 provides somewhat higher TcO{sub 4}{sup {minus}} extraction ratios than the more lipophilic di-t-BuCH18C6 derivative, the latter was selected for further study owing to its lower distribution to the aqueous phase. Particularly good extraction and stripping results were obtained with di-t-BuCH 18C6 at 0.02 M in a 2:1 vol/vol blend of tributyl phosphate and Isopar{reg_sign} M. Using this solvent, 98.9% of the technetium contained (at 6 {times} 10{sup {minus}5} M) in a Double-Shell Slurry Feed (DSSF) Hanford tank waste simulant was removed following two cross-current extraction contacts. Two cross-current stripping contacts with deionized water afforded removal of 99.1% of the technetium from the organic solvent.

Bonnesen, P.V.; Presley, D.J.; Haverlock, T.J.; Moyer, B.A. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

1995-07-01T23:59:59.000Z

292

Alkaline-side extraction of technetium from tank waste using crown ethers and other extractants  

SciTech Connect

The chemical development of a new crown-ether-based solvent-extraction process for the separation of (Tc) from alkaline tank-waste supernate is ready for counter-current testing. The process addresses a priority need in the proposed cleanup of Hanford and other tank wastes. This need has arisen from concerns due to the volatility of Tc during vitrification, as well as {sup 99}Tc`s long half-life and environmental mobility. The new process offers several key advantages that direct treatability--no adjustment of the waste composition is needed; economical stripping with water; high efficiency--few stages needed; non-RCRA chemicals--no generation of hazardous or mixed wastes; co-extraction of {sup 90}Sr; and optional concentration on a resin. A key concept advanced in this work entails the use of tandem techniques: solvent extraction offers high selectivity, while a subsequent column sorption process on the aqueous stripping solution serves to greatly concentrate the Tc. Optionally, the stripping solution can be evaporated to a small volume. Batch tests of the solvent-extraction and stripping components of the process have been conducted on actual melton Valley Storage Tank (MVST) waste as well as simulants of MVST and Hanford waste. The tandem process was demonstrated on MVST waste simulants using the three solvents that were selected the final candidates for the process. The solvents are 0.04 M bis-4,4{prime}(5{prime})[(tert-butyl)cyclohexano]-18-crown-6 (abbreviated di-t-BuCH18C6) in a 1:1 vol/vol blend of tributyl phosphate and Isopar{reg_sign} M (an isoparaffinic kerosene); 0.02 M di-t-BuCH18C6 in 2:1 vol/vol TBP/Isopar M and pure TBP. The process is now ready for counter-current testing on actual Hanford tank supernates.

Bonnesen, P.V.; Moyer, B.A.; Presley, D.J.; Armstrong, V.S.; Haverlock, T.J.; Counce, R.M.; Sachleben, R.A.

1996-06-01T23:59:59.000Z

293

EXPERIMENTAL INVESTIGATION OF NATURAL CONVECTION HEAT TRANSFER OF IONIC LIQUID IN A RECTANGULAR ENCLOSURE HEATED FROM BELOW  

Science Conference Proceedings (OSTI)

This paper presents an experimental study of natural convection heat transfer for an Ionic Liquid. The experiments were performed for 1-butyl-2, 3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide, ([C{sub 4}mmim][NTf{sub 2}]) at a Raleigh number range of 1.26 x 10{sup 7} to 8.3 x 10{sup 7}. In addition to determining the convective heat transfer coefficients, this study also included experimental determination of thermophysical properties of [C{sub 4}mmim][NTf{sub 2}] such as, density, viscosity, heat capacity, and thermal conductivity. The results show that the density of [C{sub 4}mmim][NTf{sub 2}] varies from 1.437-1.396 g/cm{sup 3} within the temperature range of 10-50 C, the thermal conductivity varies from 0.105-0.116 W/m.K between a temperature of 10 to 60 C, the heat capacity varies from 1.015 J/g.K - 1.760 J/g.K within temperature range of 25-340 C and the viscosity varies from 18cp-243cp within temperature range 10-75 C. The results for density, thermal conductivity, heat capacity, and viscosity were in close agreement with the values in the literature. Measured dimensionless Nusselt number was observed to be higher for the ionic liquid than that of DI water. This is expected as Nusselt number is the ratio of heat transfer by convection to conduction and the ionic liquid has lower thermal conductivity (approximately 18%) than DI water.

Fox, E.; Visser, A.; Bridges, N.

2011-07-18T23:59:59.000Z

294

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 to increased interest in ethanol throughout the state of Texas. There have been several ethanol feasibility studies conducted. Most studies have been focused in other states, and only one incorporated risk on input and output prices. Very little research has been done in Texas. Previous studies are typically for a generic location and only looked at ethanol production from corn. This study looks at four different plant sizes in three different regions using corn and grain sorghum. This study incorporates risk on input prices (corn, grain sorghum, natural gas, and electricity) and the output prices of ethanol and dried distillers grain with solubles (DDGS). The regions that were analyzed in the study are the Texas Panhandle, the Central Texas region, and the Southeast Texas region. The results indicate that the only plants expected to generate a positive net present value (NPV) were the larger grain sorghum based plants in the Texas Panhandle. The smaller sorghum based plants in the Panhandle did not have a positive NPV. The only other plants that were close to having a positive net present value were the grain sorghum plants in the Central Texas Region. Sorghum in the Southeast Texas Region was not feasible. Using corn as the feedstock was not as feasible in any region. The results of a sensitivity analysis show that a small increase in the net income in the form of increased revenue or reduced costs would make all the plants profitable.

Herbst, Brian Keith

2003-01-01T23:59:59.000Z

295

The origin and fate of organic pollutants from the combustion of alternative fuels  

SciTech Connect

The overall objective of this project is to determine the impact of alternative fuels on air quality, particularly ozone formation. The objective will be met through three steps: (1) qualitative identification of alternative fuel combustion products, (2) quantitative measurement of specific emission levels of these products, and (3) determination of the fate of the combustion products in the atmosphere. The alternative fuels of interest are methanol, ethanol, natural gas, and LP gas. The role of the University of Dayton Research Institute (UDRI) in this project is two-fold. First, fused silica flow reactor instrumentation is being used to obtain both qualitative identification and quantitative data on the thermal degradation products from the fuel-lean (oxidative), stoichiometric, and fuel-rich (pyrolytic) decomposition of methanol, ethanol, liquefied petroleum gas, and natural gas. Secondly, a laser photolysis/laser-induced fluorescence (LP/LIF) apparatus is being used to determine the rates and mechanisms of reaction of selected degradation products under atmospheric conditions. This draft final report contains the results of the second year of the study. The authors initially discuss the results of their flow reactor studies. This is followed by a discussion of the initial results from their LP/LIF studies of the reaction of hydroxyl (OH) radicals with methanol and ethanol. In the coming year, they plan to obtain quantitative data on the oxidation of methyl-t-butyl-ether and reformulated gasoline under fuel-lean, stoichiometric, and fuel-rich conditions. They also plan to conduct a mechanistic analysis of the reaction of OH with acetaldehyde and formaldehyde over an extended temperature range.

NONE

1995-06-01T23:59:59.000Z

296

Superacid catalysis of light hydrocarbon conversion. Final report, August 26, 1993--August 26, 1996  

DOE Green Energy (OSTI)

Motivated by the goal of finding improved catalysts for low- temperature conversion of light alkanes into fuel components or precursors of fuel components, the researchers have investigated sulfated zirconia and promoted sulfated zirconia for conversion of butane, propane, and ethane. Catalyst performance data for sulfated zirconia promoted with iron and manganese show that it is the most active noncorrosive, nonhalide catalyst known for n-butane isomerization, and it is an excellent candidate catalyst for new low- temperature n-butane isomerization processes to make isobutane, which can be converted by established technology into methyl t-butyl ether (MTBE). Various transition metals have been found to work as promoters of sulfated zirconia for n-butane isomerization. The combination of iron and manganese is the best known combination of promoters yet discovered. The iron- and manganese-promoted sulfated zirconia is also a catalyst for conversion of propane and of ethane. Ethane is converted into ethylene and butanes in the presence of the iron- and manganese-promoted sulfated zirconia; propane is also converted into butane, among other products. However, the activities of the catalyst for these reactions are orders of magnitude less than the activity for n-butane conversion, and there is no evidence that the catalyst would be of practical value for conversion of alkanes lighter than butane. The product distribution data for ethane and propane conversion provide new insights into the nature of the catalyst and its acidity. These data suggest the involvement of Olah superacid chemistry, whereby the catalyst protonates the alkane itself, giving carbonium ions (as transition states). The mechanism of protonation of the alkane may also pertain to the conversion of butane, but there is good evidence that the butane conversion also proceeds via alkene intermediates by conventional mechanisms of carbenium ion formation and rearrangement.

Gates, B.C.

1996-12-31T23:59:59.000Z

297

Responsive copolymers for enhanced petroleum recovery. Second annual report  

SciTech Connect

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

298

Solvent Effects on Metal Complexation with Crown Ethers from Liquid to Supercritical Fluids (DE-FG07-98ER 149 13)  

DOE Green Energy (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

299

FY-2010 Process Monitoring Technology Final Report  

Science Conference Proceedings (OSTI)

During FY 2010, work under the Spectroscopy-Based Process Monitoring task included ordering and receiving four fluid flow meters and four flow visible-near infrared spectrometer cells to be instrumented within the centrifugal contactor system at Pacific Northwest National Laboratory (PNNL). Initial demonstrations of real-time spectroscopic measurements on cold-stream simulants were conducted using plutonium (Pu)/uranium (U) (PUREX) solvent extraction process conditions. The specific test case examined the extraction of neodymium nitrate (Nd(NO3)3) from an aqueous nitric acid (HNO3) feed into a tri-n-butyl phosphate (TBP)/ n-dodecane solvent. Demonstration testing of this system included diverting a sample from the aqueous feed meanwhile monitoring the process in every phase using the on-line spectroscopic process monitoring system. The purpose of this demonstration was to test whether spectroscopic monitoring is capable of determining the mass balance of metal nitrate species involved in a cross-current solvent extraction scheme while also diverting a sample from the system. The diversion scenario involved diverting a portion of the feed from a counter-current extraction system while a continuous extraction experiment was underway. A successful test would demonstrate the ability of the process monitoring system to detect and quantify the diversion of material from the system during a real-time continuous solvent extraction experiment. The system was designed to mimic a PUREX-type extraction process with a bank of four centrifugal contactors. The aqueous feed contained Nd(NO3)3 in HNO3, and the organic phase was composed of TBP/n-dodecane. The amount of sample observed to be diverted by on-line spectroscopic process monitoring was measured to be 3 mmol (3 x 10-3 mol) Nd3+. This value was in excellent agreement with the 2.9 mmol Nd3+ value based on the known mass of sample taken (i.e., diverted) directly from the system feed solution.

Orton, Christopher R.; Bryan, Samuel A.; Casella, Amanda J.; Hines, Wes; Levitskaia, Tatiana G.; henkell, J.; Schwantes, Jon M.; Jordan, Elizabeth A.; Lines, Amanda M.; Fraga, Carlos G.; Peterson, James M.; Verdugo, Dawn E.; Christensen, Ronald N.; Peper, Shane M.

2011-01-01T23:59:59.000Z

300

Development of alternative fuels from coal-derived synthesis gas: Final topical report, demonstration of one-step slurry-phase process for the co-production of methanol and isobutanol  

DOE Green Energy (OSTI)

Liquid phase co-production of methanol and isobutanol (LPIBOH) was de, demonstrated at DOE`s Alternative Fuels Development Unit (AFDU) in LaPorte, Texas. Methanol and isobutanol are key intermediates in a synthesis gas-based route to methyl t-butyl ether (MTBE). The technology was demonstrated in a new 18 in. slurry bubble-column reactor that was designed to demonstrate higher pressures and temperatures,higher gas superficial velocities, and lower gas hourly space velocities--all of which are conducive to obtaining optimal isobutanol yield. The integration of the new reactor into the AFDU included the addition of a high-pressure synthesis gas compressor, a high-pressure hydrogen feed source, and a closed-loop methanol- solvent absorption system to remove CO{sub 2} from the unconverted synthesis gas. These modifications were completed in January 1994. The LPIBOH run followed after a short turnaround. It employed a cesium- promoted Cu/ZnO/Al{sub 2}O{sub 3} catalyst developed in Air Products` laboratories and subsequently scaled up to a production- sized batch. Over a thirteen day campaign on simulated Shell gasifier gas, the catalyst and reactor system were tested at a matrix of pressures (750, 1300, 1735 psig) and space velocities (3000, 5000, 8200 sL/kg-hr), representing numerous first-of-a-kind run conditions for the AFDU. Inlet gas superficial velocities spanned an impressive 0.16 to 1.0 ft/sec. Stable reactor performance for a full twelve-hour data period at 1.0 ft/sec was another significant milestone for the liquid phase technology program. Apart from the catalyst deactivation, the run successfully demonstrated mixed alcohol synthesis in a slurry bubble-column reactor, as well as all of the new equipment installed for the trial. Although the full capabilities of the new oxygenates system will not be tested until future runs, the design objectives for the modifications were met with respect to the LPIBOH run.

NONE

1996-06-01T23:59:59.000Z

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.


301

Fuel-Cycle energy and emission impacts of ethanol-diesel blends in urban buses and farming tractors.  

DOE Green Energy (OSTI)

About 2.1 billion gallons of fuel ethanol was used in the United States in 2002, mainly in the form of gasoline blends containing up to 10% ethanol (E10). Ethanol use has the potential to increase in the U.S. blended gasoline market because methyl tertiary butyl ether (MTBE), formerly the most popular oxygenate blendstock, may be phased out owing to concerns about MTBE contamination of the water supply. Ethanol would remain the only viable near-term option as an oxygenate in reformulated gasoline production and to meet a potential federal renewable fuels standard (RFS) for transportation fuels. Ethanol may also be blended with additives (co-solvents) into diesel fuels for applications in which oxygenation may improve diesel engine emission performance. Numerous studies have been conducted to evaluate the fuel-cycle energy and greenhouse gas (GHG) emission effects of ethanol-gasoline blends relative to those of gasoline for applications in spark-ignition engine vehicles (see Wang et al. 1997; Wang et al. 1999; Levelton Engineering et al. 1999; Shapouri et al. 2002; Graboski 2002). Those studies did not address the energy and emission effects of ethanol-diesel (E-diesel or ED) blends relative to those of petroleum diesel fuel in diesel engine vehicles. The energy and emission effects of E-diesel could be very different from those of ethanol-gasoline blends because (1) the energy use and emissions generated during diesel production (so-called ''upstream'' effects) are different from those generated during gasoline production; and (2) the energy and emission performance of E-diesel and petroleum diesel fuel in diesel compression-ignition engines differs from that of ethanol-gasoline blends in spark-ignition (Otto-cycle-type) engine vehicles. The Illinois Department of Commerce and Community Affairs (DCCA) commissioned Argonne National Laboratory to conduct a full fuel-cycle analysis of the energy and emission effects of E-diesel blends relative to those of petroleum diesel when used in the types of diesel engines that will likely be targeted first in the marketplace. This report documents the results of our study. The draft report was delivered to DCCA in January 2003. This final report incorporates revisions by the sponsor and by Argonne.

Wang, M.; Saricks, C.; Lee, H.

2003-09-11T23:59:59.000Z

302

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

303

Substituents Dependent Capability of bis(ruthenium-dioxolene-terpyridine)Complexes Toward Water Oxidation  

Science Conference Proceedings (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

304

Simple ortho- and para-hydroquinones as compounds neuroprotective against oxidative stress in a manner associated with specific transcriptional activation  

Science Conference Proceedings (OSTI)

Electrophilic compounds protect neurons through the activation of the Keap1/Nrf2 pathway and the induction of phase-2 enzymes [T. Satoh, S.A. Lipton, Redox regulation of neuronal survival by electrophilic compounds, Trends Neurosci. 30 (2007) 38-45; T. Satoh, S. Okamoto, J. Cui, Y. Watanabe, K. Furuta, M. Suzuki, K. Tohyama, S.A. Lipton, Activation of the Keap1/Nrf2 pathway for neuroprotection by electrophilic phase II inducers. Proc. Natl. Acad. Sci. USA 103 (2006) 768-773]. Hydroquinone-type electrophilic compounds such as tert-butyl hydroquinone (TBHQ) and carnosic acid (CA) have attracted special attention, because the oxidative conversion of 'hydroquinone' to 'quinone' is essential for the transcriptional activation of the above-mentioned enzymes [T. Satoh, K. Kosaka, K. Itoh, A. Kobayashi, M. Yamamoto, Y. Shimojo, C. Kitajima, J. Cui, J. Kamins, S. Okamoto, T. Shirasawa, S.A. Lipton, Carnosic acid, a catechol-type electrophilic compound, protect neurons both in vitro and in vivo through activation of the Keap1/Nrf2 pathway via S-alkylation of specific cysteine, J. Neurochem. 104 (2008) 1161-1131; A.D. Kraft, D.A. Johnson, J.A. Johnson, Nuclear factor E2-related factor 2-dependent antioxidant response element activation by tert-butylhydroquinone and sulforaphane occurring preferentially in astrocytes conditions neurons against oxidative insult, J. Neurosci. 24 (2004) 1101-1112]. In the present study, we examined the relationship between electrophilicity and the protective effects afforded by electrophilic compounds. Electrophilicity was assessed in terms of the ability of a compound to bind to a cysteine on bovine serum albumin, by which we found that neuroprotective hydroquinones [TBHQ (para-) and CA (ortho-)] had distinctive patterns of cysteine binding compared with other electrophilic compounds. Further, we found that isomers of simple ortho- and para-hydroquinones such as 2-methylhydroquinone (para-) and 4-methyl-catechol (ortho-) [not in abstract] had similar properties of cysteine binding as TBHQ and CA, which compounds were associated with the transcriptional activation and an increase in the level of reduced glutathione. These results suggest that para- and ortho-dihydroquinones may be neuroprotective compounds active against oxidative stress.

Satoh, Takumi [Department of Welfare Engineering, Faculty of Engineering, Iwate University, Ueda 4-3-5, Morioka, Iwate 020-8551 (Japan)], E-mail: tsatoh@iwate-u.ac.jp; Saitoh, Sachie; Hosaka, Manami [Department of Welfare Engineering, Faculty of Engineering, Iwate University, Ueda 4-3-5, Morioka, Iwate 020-8551 (Japan); Kosaka, Kunio [Research and Development Center, Nagase Co., Ltd., Kobe, Hyogo 651-2241 (Japan)

2009-02-06T23:59:59.000Z

305

TREATMENT OF GASEOUS EFFLUENTS ISSUED FROM RECYCLING – A REVIEW OF THE CURRENT PRACTICES AND PROSPECTIVE IMPROVEMENTS  

Science Conference Proceedings (OSTI)

The objectives of gaseous waste management for the recycling of nuclear used fuel is to reduce by best practical means (ALARA) and below regulatory limits, the quantity of activity discharged to the environment. The industrial PUREX process recovers the fissile material U(VI) and Pu(IV) to re-use them for the fabrication of new fuel elements e.g. recycling plutonium as a Mixed Oxide (MOX) fuel or recycling uranium for new enrichment for Pressurized Water Reactor (PWR). Meanwhile the separation of the waste (activation and fission product) is performed as a function of their pollution in order to store and avoid any potential danger and release towards the biosphere. Raffinate, that remains after the extraction step and which contains mostly all fission products and minor actinides is vitrified, the glass package being stored temporarily at the recycling plant site. Hulls and end pieces coming from PWR recycled fuel are compacted by means of a press leading to a volume reduced to 1/5th of initial volume. An organic waste treatment step will recycle the solvent, mainly tri-butyl phosphate (TBP) and some of its hydrolysis and radiolytic degradation products such as dibutyl phosphate (HDPB) and monobutyl phosphate (H2MBP). Although most scientific and technological development work focused on high level waste streams, a considerable effort is still under way in the area of intermediate and low level waste management. Current industrial practices for the treatment of gaseous effluents focusing essentially on Iodine-129 and Krypton-85 will be reviewed along with the development of novel technologies to extract, condition, and store these fission products. As an example, the current industrial practice is to discharge Kr-85, a radioactive gas, entirely to the atmosphere after dilution, but for the large recycling facilities envisioned in the near future, several techniques such as 1) cryogenic distillation and selective absorption in solvents, 2) adsorption on activated charcoal, 3) selective sorption on chemical modified zeolites, or 4) diffusion through membranes with selective permeability are potential technologies to retain the gas.

Patricia Paviet-Hartmann; William Kerlin; Steven Bakhtiar

2010-11-01T23:59:59.000Z

306

THE USE OF VAPOR EXTRACTION SYSTEM AND ITS SUBSEQUENT REDUCTION OF WORKER EXPOSURE TO CARBON TETRACHLORIDE DURING RETRIEVAL OF HANFORDS LEGACY WASTE  

SciTech Connect

The Hanford Site is a decommissioned nuclear productions complex located in south eastern Washington and is operated by the Department of Energy (DOE). From 1955 to 1973, carbon tetrachloride (CCl{sub 4}), used in mixtures with other organic compounds, was used to recover plutonium from aqueous streams at Z Plant located on the Hanford Site. The aqueous and organic liquid waste that remained at the end of this process was discharged to soil columns in waste cribs located near Z Plant. Included in this waste slurry along with CCl{sub 4} were tributyl phosphate, dibutyl butyl phosphate, and lard oil. (Truex et al., 2001). In the mid 1980's, CCl{sub 4} was found in the unconfined aquifer below the 200 West Area and subsequent ground water monitoring indicated that the plume was widespread and that the concentrations were increasing. It has been estimated that approximately 750,000 kg (826.7 tons) of CCl{sub 4} was discharged to the soil from 1955 to 1973. (Truex et al., 2001). With initial concentration readings of approximately 30,000 parts per million by volume (ppmv) in one well field alone, soil vapor extraction began in 1992 in an effort to remove the CCl{sub 4} from the soil. (Rohay, 1999). Since 1992, approximately 78,607.6 kg (86.65 tons) of CCl{sub 4} have been extracted from the soil through the process of soil vapor extraction and 9,409.8 kg (10.37 tons) have been removed from the groundwater. (EPA, 2006). The success of this environmental cleanup process benefited not only the environment but also workers who were later involved in the retrieval of solid waste from trenches that were in or near the CCl{sub 4} plume. Solid waste was buried in trenches near Z Plant from 1967 to 1990. The solid waste, some of which was chemically and/or radioactively contaminated, was buried in trenches in steel or fiber drums, fiberboard boxes, fiberglass-reinforced plywood boxes, and steel, concrete, or wooden boxes. Much of this waste was buried with the intention of retrieving it later for permanent disposal and storage. Removal of this solid waste would disturb the soil that was potentially contaminated with CC4 and thereby pose a risk to workers involved in the retrieval effort. However, with the success of the VES, worker exposure did not occur.

PITTS DA

2008-03-18T23:59:59.000Z

307

Pressure Swing Absorption Device and Process for Separating CO{sub 2} from Shifted Syngas and its Capture for Subsequent Storage  

DOE Green Energy (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

308

[Research and workshop on alternative fuels for aviation. Final report  

DOE Green Energy (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

309

Catalytic activity of a series of Zn(II) phenoxides for the copolymerization of epoxides and carbon dioxide  

Science Conference Proceedings (OSTI)

A series of zinc phenoxides of the general formula (2,6-R{sub 2}C{sub 6}H{sub 3}O){sub 2}Zn(base){sub 2} [R = Ph, {sup t}Bu, {sup i}Pr, base = Et{sub 2}O, THF, or propylene carbonate] and (2,4,6-Me{sub 3}C{sub 6}H{sub 2}O){sub 2}Zn(pyridine){sub 2} have been synthesized and characterized in the solid state by X-ray crystallography. All complexes crystallized as four-coordinate monomers with highly distorted tetrahedral geometry about the zinc center. The angles between the two sterically encumbering phenoxide ligands were found to be significantly more obtuse than the corresponding angles between the two smaller neutral base ligands, having average values of 140{degree} and 95{degree}, respectively. In a noninteracting solvent such as benzene or methylene chloride at ambient temperature, the ancillary base ligands are extensively dissociated from the zinc center, with the degree of dissociation being dependent on the base as well as the substituents on the phenolate ligands. That is, stronger ligand binding was found in zinc centers containing electron-donating tert-butyl substituents as opposed to electron-withdrawing phenyl substituents. In all instances, the order of ligand binding was pyridine > THF > epoxides. These bis(phenoxide) derivatives of zinc were shown to be very effective catalysts for the copolymerization of cyclohexene oxide and CO{sub 2} in the absence of strongly coordinating solvents, to afford high-molecular-weight polycarbonate (M{sub w} ranging from 45 x 10{sup 3} to 173 x 10{sup 3} Da) with low levels of polyether linkages. However, under similar conditions, these zinc complexes only coupled propylene oxide and CO{sub 2} to produce cyclic propylene carbonate. Nevertheless, these bis(phenoxide) derivatives of zinc were competent at terpolymerization of cyclohexene oxide/propylene oxide/CO{sub 2} with little cyclic propylene carbonate formation at low propylene oxide loadings. While CO{sub 2} showed no reactivity with the sterically encumbered zinc bis(phenoxides), e.g., (2,6-di-tert-butylphenoxide){sub 2}Zn(pyridine){sub 2} to provide the corresponding aryl carbonate zinc derivative. At the same time, both sterically hindered and sterically nonhindered phenoxide derivatives of zinc served to ring-open epoxide, i.e., were effective catalysts for the homopolymerization of epoxide to polyethers. The relevance of these reactivity patterns to the initiation step of the copolymerization process involving these monomeric zinc complexes is discussed.

Darensbourg, D.J.; Holtcamp, M.W.; Struck, G.E.; Zimmer, M.S.; Niezgoda, S.A.; Rainey, P.; Robertson, J.B.; Draper, J.D.; Reibenspies, J.H.

1999-01-13T23:59:59.000Z

310

Mechanisms of Action of Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) in Colon Cancer  

E-Print Network (OSTI)

Non-steroidal anti-inflammatory drugs (NSAIDs) and their NO derivatives (NO-NSAIDs), and synthetic analogs are highly effective as anticancer agents that exhibit relatively low toxicity compared to most clinically used drugs. However, the mechanisms of action for NSAIDs and NO-NSAIDs are not well defined and this has restricted their clinical applications and applications for combined therapies. Earlier studies from our laboratory reported that specificity protein (Sp) transcription factors (Sp1, Sp3 and Sp4) are overexpressed in several types of human cancers including colon cancer and many Sp-regulated genes are pro-oncogenic and individual targets for cancer chemotherapy. Based on published results showing that NSAIDs downregulate several putative Sp-regulated genes, we hypothesized that the anticancer properties of NSAIDs may be due, in part, to downregulation of Sp transcription factors. NSAIDs including aspirin and tolfenamic acid (TA) and nitro derivatives of NSAIDs such as GT-094 have been investigated in colon cancer cells and in vivo xenograft models. Aspirin and TA induced apoptosis and decreased colon cancer cell growth and tumor growth in vivo and downregulated genes associated with cell growth, survival, and angiogenesis. Previous RNA interference studies in this laboratory have shown that many of these genes are regulated, in part, by Sp transcription factors Sp1, Sp3 and Sp4 that are overexpressed in colon and other cancer cell lines. Not surprisingly, these NSAIDs also decreased Sp1, Sp3 and Sp4 proteins and Sp-regulated gene products in colon cancer cells and this was due to caspase-dependent proteolysis of Sp1, Sp3 and Sp4 proteins. Aspirin-induced activation of caspases and degradation of Sp1, Sp3 and Sp4 was due to sequestration of zinc and could be reversed by addition of zinc sulphate, whereas TA mediated induction of caspases was independent of zinc ions and is currently being investigated. GT-094 is a novel NO chimera-containing NSAID, which also inhibited colon cancer cell proliferation and induced apoptosis; these effects were accompanied by decreased mitochondrial membrane potential (MMP) and induction of reactive oxygen species (ROS), and were reversed after cotreatment with the antioxidant glutathione. GT-094 also downregulated Sp and Sp-dependent gene products and was due to decreased expression of microRNA-27a (miR-27a) and induction of ZBTB10, an Sp transcriptional repressor that is regulated by miR-27a in colon cancer cells. Moreover, the effects of GT-094 on Sp1, Sp3, Sp4, miR-27a and ZBTB10 were also inhibited by glutathione suggesting that the anticancer activity of GT-094 in colon cancer cells is due, in part, to ROS-dependent disruption of miR-27a:ZBTB10. The importance of ROS induction in targeting Sp transcription factors was also confirmed using pro-oxidants such as ascorbic acid, hydrogen peroxide and t-butyl hydroperoxide and similar results have been observed in collaborative studies with other ROS inducers in colon cancer cells. Many cancer cell lines and tumors exhibit addiction to non-oncogenes such as Sp1, Sp3 and Sp4 for maintaining the oncogenic phenotype and future research will focus on the mechanisms of ROS-mediated targeting of Sp transcription factors which represents a novel approach for cancer chemotherapy.

Pathi, Satya

2012-08-01T23:59:59.000Z

311

Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene-Containing Tungsten Dimer [CpW(CO)2(IMe)]2  

SciTech Connect

The thermal W-W bond homolysis in [CpW(CO)2(IMe)]2 (IMe = 1,3-dimethylimidazol-2-ylidene) was investigated and was found to occur to a large extent compared to other tungsten dimers such as [CpW(CO)3]2. CpW(CO)2(IMe)H was prepared by heating a solution of [IMeH]+[CpW(CO)2(PMe3)]?, and exists in solution as a mixture of interconverting cis and trans isomers. The carbene rotation in CpW(CO)2(IMe)H was explored by DFT calculations, and low enthalpic barriers (< 3.5 kcal mol?1) are predicted. CpW(CO)2(IMe)H has pKaMeCN = 31.5(3) and deprotonation with KH gives K+[CpW(CO)2(IMe)]? (• MeCN). Hydride abstraction from CpW(CO)2(IMe)H with Ph3C+PF6? in the presence of a coordinating ligand L (MeCN or THF) gives [CpW(CO)2(IMe)(L)]+PF6?. Electrochemical measurements on the anion [CpW(CO)2(IMe)]? in MeCN, together with digital simulations, give an E1/2 of ?1.54(2) V vs Cp2Fe+/0 for the [CpW(CO)2(IMe)]•/? couple. A thermochemical cycle provides the solution bond dissociation free energy of the W-H bond of CpW(CO)2(IMe)H as 61.3(6) kcal mol?1. In the electrochemical oxidation of [CpW(CO)2(IMe)]?, reversible dimerization of the electrogenerated radical CpW(CO)2(IMe)• occurs, and digital simulation provides kinetic and thermodynamic parameters for the monomer-dimer equilibrium: kdimerization ~ 2.5 ? 104 M?1 s?1, khomolysis ~ 0.5 s?1 (i.e., Kdim ~ 5 ? 104 M?1). Reduction of [CpW(CO)2(IMe)(MeCN)]+PF6? with cobaltocene gives the dimer [CpW(CO)2(IMe)]2, which in solution exists as a mixture of anti and gauche rotomers. As expected from the electrochemical experiments, the dimer is in equilibrium with detectable amounts of CpW(CO)2(IMe)•. This species was observed by IR spectroscopy, and its presence in solution is also in accordance with the observed reactivity toward 2,6-di-tert-butyl-1,4-benzoquinone, chloroform and dihydrogen. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle. The EPR studies were performed at EMSL, a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

van der Eide, Edwin F.; Liu, Tianbiao L.; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris

2012-03-05T23:59:59.000Z

312

Novel Approaches to Immobilized Heteropoly Acid Systems for High Temperature, Low Relative Humidity Polymer-Type Membranes - Final Report  

SciTech Connect

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 150Ľm 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

313

IMPACT OF OXYGENATED FUEL ON DIESEL ENGINE PERFORMANCE AND EMISSIONS  

DOE Green Energy (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

314

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

E-Print Network (OSTI)

One in 8 women will be diagnosed with breast cancer in the United States and estrogen receptor (ER) status largely influences the type and subsequent success of treatment employed. Although ER-positive breast cancer can be treated with endocrine therapy, the more invasive ER-negative breast cancer is non-responsive to this therapy and cytotoxic agents are often utilized which are associated with many adverse side effects. Consequently, there is a genuine need to develop more effective, less toxic treatments for invasive breast cancer. Indole-3-carbinol is a phytochemical found in cruciferous vegetables and one of its major metabolites, 3,3’-diindolylmethane (DIM), exhibits a broad range of anticancer and antitumorigenic activities. ER-negative MDA-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-C-pPhtBu) and phenyl (DIM-C-pPhC6H5) groups. In addition, DIM-C-pPhC6H5 (40 mg/kg/d) inhibited tumor growth in nude mice bearing MDA-MB-231 cells as xenografts. Treatment of breast cancer cells with C-DIMs lead to downregulation of cyclin D1 and induction of non-steroidal anti-inflammatory drug-activated gene 1. Detection of necrosis, caspasedependent or caspase-independent apoptosis were not observed in breast cancer cells treated with C-DIMs, however autophagic cell death was induced by C-DIMs. DIM and ring-substituted DIMs have exhibited antitumorigenic activity in tumor murine mammary models. An investigation into the mechanism of cell death induced by DIM and 5,5’-dibromoDIM (5,5’-diBrDIM) in both ER-positive (MCF-7) and ERnegative (MDA-MB-231) breast cancer cells revealed modulation of several key signaling pathways involved in growth control. Both DIM and 5,5’-diBrDIM downregulated cyclin D1, although only 5,5’-diBrDIM induced a depolarization of the mitochondrial membrane. In addition, apoptosis was observed in MCF-7 cells treated with 5,5’-diBrDIM but not MDA-MB-231 cells. In summary, C-DIMs may represent new mechanism-based agents for treatment of breast cancer through induction of autophagic cell death. The ring-substituted DIMs correspond to a novel class of uncharged mitochondrial poisons that are also highly effective in inhibiting breast cancer cell growth. Results of this research provide evidence for the potential role of two new series of DIM analogs for the treatment of highly aggressive breast cancer.

Vanderlaag, Kathryn Elisabeth

2007-05-01T23:59:59.000Z

315

Rate constants for the thermal decomposition of ethanol and its bimolecular reactions with OH and D : reflected shock tube and theoretical studies.  

Science Conference Proceedings (OSTI)

The thermal decomposition of ethanol and its reactions with OH and D have been studied with both shock tube experiments and ab initio transition state theory-based master equation calculations. Dissociation rate constants for ethanol have been measured at high T in reflected shock waves using OH optical absorption and high-sensitivity H-atom ARAS detection. The three dissociation processes that are dominant at high T are: C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 4} + H{sub 2}O; C{sub 2}H{sub 5}OH {yields} CH{sub 3} + CH{sub 2}OH; C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 5} + OH. The rate coefficient for reaction C was measured directly with high sensitivity at 308 nm using a multipass optical White cell. Meanwhile, H-atom ARAS measurements yield the overall rate coefficient and that for the sum of reactions B and C, since H-atoms are instantaneously formed from the decompositions of CH{sub 2}OH and C{sub 2}H{sub 5} into CH{sub 2}O + H and C{sub 2}H{sub 4} + H, respectively. By difference, rate constants for reaction 1 could be obtained. One potential complication is the scavenging of OH by unreacted ethanol in the OH experiments, and therefore, rate constants for OH + C{sub 2}H{sub 5}OH {yields} products were measured using tert-butyl hydroperoxide (tBH) as the thermal source for OH. The present experiments can be represented by the Arrhenius expression k = (2.5 {+-} 0.43) x 10{sup -11} exp(- 911 {+-} 191 K/T) cm{sup 3} molecule{sup -1} s{sup -1} over the T range 857-1297 K. For completeness, we have also measured the rate coefficient for the reaction of D atoms with ethanol D + C{sub 2}H{sub 5}OH {yields} products whose H analogue is another key reaction in the combustion of ethanol. Over the T range 1054-1359 K, the rate constants from the present experiments can be represented by the Arrhenius expression, k = (3.98 {+-} 0.76) x 10{sup -10} exp(- 4494 {+-} 235 K/T) cm{sup 3} molecule{sup -1} s{sup -1}. The high-pressure rate coefficients for reactions B and C were studied with variable reaction coordinate transition state theory employing directly determined CASPT2/cc-pvdz interaction energies. Reactions A, D, and E were studied with conventional transition state theory employing QCISD(T)/CBS energies. For the saddle point in reaction A, additional high-level corrections are evaluated. The predicted reaction exo- and endothermicities are in good agreement with the current Active Thermochemical Tables values. The transition state theory predictions for the microcanonical rate coefficients in ethanol decomposition are incorporated in master equation calculations to yield predictions for the temperature and pressure dependences of reactions A-C. With modest adjustments (<1 kcal/mol) to a few key barrier heights, the present experimental and adjusted theoretical results yield a consistent description of both the decomposition (1-3) and abstraction kinetics (4 and 5). The present results are compared with earlier experimental and theoretical work.

Sivaramakrishnan, R.; Su, M.-C.; Michael, J. V.; Klippenstein, S. J.; Harding, L. B.; Ruscic, B. (Chemical Sciences and Engineering Division)

2010-09-09T23:59:59.000Z

316

Advanced Extraction Methods for Actinide/Lanthanide Separations  

SciTech Connect

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

317

DEVELOPMENT OF ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS  

DOE Green Energy (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