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


1

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

2

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

3

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

4

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

5

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

Process for producing dimethyl ether form synthesis gas  

DOE Green Energy (OSTI)

This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.

Pierantozzi, Ronald (Macungie, PA)

1985-01-01T23:59:59.000Z

42

Process for producing dimethyl ether from synthesis gas  

DOE Patents (OSTI)

This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.

Pierantozzi, R.

1985-06-04T23:59:59.000Z

43

Atmospheric Methyl Chloride  

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

steel flasks and methyl chloride concentrations were measured using an Electron Capture Gas Chromatograph. Concentrations are reported as mixing ratios in dry air. The...

44

Crown Ethers in Nonaqueous Electrolytes for Lithium/Air Batteries  

SciTech Connect

The effects of three crown ethers, 12-crown-4, 15-crown-5, and 18-crown-6, as additives and co-solvents in non-aqueous electrolytes on the cell performance of primary Li/air batteries operated in a dry air environment were investigated. Crown ethers have large effects on the discharge performance of non-aqueous electrolytes in Li/air batteries. A small amount (normally less than 10% by weight or volume in electrolytes) of 12-Crown-4 and 15-crown-5 reduces the battery performance and a minimum discharge capacity appears at the crown ether content of ca. 5% in the electrolytes. However, when the content increases to about 15%, both crown ethers improve the capacity of Li/air cells by about 28% and 16%, respectively. 15-Crown-5 based electrolytes even show a maximum discharge capacity in the crown ether content range from 10% to 15%. On the other hand, the increase of 18-crown-6 amount in the electrolytes continuously lowers of the cell performance. The different battery performances of these three crown ethers in electrolytes are explained by the combined effects from the electrolytes’ contact angle, oxygen solubility, viscosity, ionic conductivity, and the stability of complexes formed between crown ether molecules and lithium ions.

Xu, Wu; Xiao, Jie; Wang, Deyu; Zhang, Jian; Zhang, Jiguang

2010-02-04T23:59:59.000Z

45

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

46

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

47

Multipodal coordination of a tetracarboxylic crown ether with NH 4 + : A vibrational spectroscopy and computational study  

Science Conference Proceedings (OSTI)

The elucidation of the structural requirements for molecular recognition by the crown ether (18–crown–6)-2

Paola Hurtado; Francisco Gámez; Said Hamad; Bruno Martínez–Haya; Jeffrey D. Steill; Jos Oomens

2012-01-01T23:59:59.000Z

48

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

49

Direct synthesis of dimethyl ether (DME) from syngas  

Science Conference Proceedings (OSTI)

We have developed appropriate and excellent catalysts for direct DME synthesis. The catalysts, Cu-Zn/Al2O3 catalysts prepared by the sol-gel method, produce DME with high DME activity and high DME selectivity under milder reaction ... Keywords: DME, alumina, catalyst, clean fuel, copper, dimethyl ether, direct synthesis, hydrogen, sol-gel method, syngas

Kaoru Takeishi; Yoshimi Akaike

2010-02-01T23:59:59.000Z

50

The interactions of water and perfluorodiethyl ether on Ru(100)  

DOE Green Energy (OSTI)

We have studied the interactions of water and perfluorodiethyl ether on Ru(100) in order to model the effects of surface structure and humidity on the bonding and decomposition of perfluoroalkyl ether lubricants with metal surfaces. In order to understand the interactions on Ru(100), we have first investigated the interactions of each of these adsorbates alone on the clean surface. The interactions of water with Ru(100) have been studied using both thermal desorption spectroscopy (TDS) and electron energy loss spectroscopy (EELS). From these studies we conclude that a small amount of water dissociates on this surface (5--10% of a monolayer), but water is adsorbed in a predominantly molecular form on this surface with an increasing degree of hydrogen-bonding with increasing coverage. The effects of hydrogen and oxygen coadsorption on the interactions of water with this surface have also been studied using TDS. Finally, the interactions of coadsorbed water and perfluorodiethyl ether on Ru(100) have been investigated using TDS.

Leavitt, P.

1990-09-21T23:59:59.000Z

51

Controlling DNA Methylation  

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

Controlling DNA Methylation Though life on earth is composed of a diverse range of organisms, some with many different types of tissues and cells, all these are encoded by a molecule we call DNA. The information required to build a protein is stored in DNA within the cells. Not all the message in the DNA is used in each cell and not all the message is used all the time. During cell differentiation, the cells become dedicated for their specific function which involves selectively activating some genes and repressing others. Gene regulation is an important event in the developmental biology and the biology of various diseases, but a more complex process. Controlling DNA Methylation Though life on earth is composed of a diverse range of organisms, some with many different types of tissues and cells, all these are encoded by a molecule we call DNA. The information required to build a protein is stored in DNA within the cells. Not all the message in the DNA is used in each cell and not all the message is used all the time. During cell differentiation, the cells become dedicated for their specific function which involves selectively activating some genes and repressing others. Gene regulation is an important event in the developmental biology and the biology of various diseases, but a more complex process. In the bacteria there are distinct enzymes while one is capable of cleaving DNA, the other protects DNA by modification. The complementary function provided by the set of enzymes offers a defense mechanism against the phage infection and DNA invasion. The incoming DNA is cleaved sequence specifically by the class of enzymes called restriction endonuclease (REase). The host DNA is protected by the sequence specific action of matching set of enzymes called the DNA methyltransferase (MTase). The control of the relative activities of the REase and MTase is critical because a reduced ratio of MTase/REase activity would lead to cell death via autorestriction. However too high a ratio would fail to provide protection against invading viral DNA. In addition a separate group of proteins capable of controlling R-M proteins have been identified in various restriction-modification (R-M) systems which are called C proteins (Roberts et al., 2003).

52

DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT  

DOE Green Energy (OSTI)

The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. The strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. Within the Combustion Laboratory of the Penn State Energy Institute, they have installed and equipped a Navistar V-8 direct-injection turbodiesel engine for measurement of gaseous and particulate emissions and examination of the impact of fuel composition on diesel combustion. They have also reconfigured a high-pressure viscometer for studies of the viscosity, bulk modulus (compressibility) and miscibility of blends of diesel fuel, dimethyl ether and lubricity additives. The results include baseline emissions, performance and combustion measurements on the Navistar engine for operation on a federal low sulfur diesel fuel (300 ppm S). Most recently, they have examined blends of an oxygenated fuel additive (a liquid fuel called CETANER{trademark}) produced by Air Products, for comparison with dimethyl ether blended at the same weight of oxygen addition, 2 wt.%. While they have not operated the engine on DME yet, they are now preparing to do so. A fuel system for delivery of DME/Diesel blends has been configured and initial investigations at low DME blend ratios (around 5-10 vol%) will begin shortly. They have also performed viscosity measurements on diesel fuel, DME and 50-50 blends of DME in diesel. These tests have verified that DME has a much lower viscosity than the diesel fuel and that the viscosity of the blended fuel is also much lower than the diesel base fuel. This has implications for the injection and atomization of the DME/diesel blends.

Elana M. Chapman; Shirish Bhide; Andre L. Boehman; David Klinikowski

2003-04-01T23:59:59.000Z

53

Experimental study of the oxidation of methyl oleate in a jet-stirred reactor  

SciTech Connect

The experimental study of the oxidation of a blend containing n-decane and a large unsaturated ester, methyl oleate, was performed in a jet-stirred reactor over a wide range of temperature covering both low and high temperature regions (550-1100 K), at a residence time of 1.5 s, at quasi atmospheric pressure with high dilution in helium (n-decane and methyl oleate inlet mole fractions of 1.48 x 10{sup -3} and 5.2 x 10{sup -4}) and under stoichiometric conditions. The formation of numerous reaction products was observed. At low and intermediate temperatures, the oxidation of the blend led to the formation of species containing oxygen atoms like cyclic ethers, aldehydes and ketones deriving from n-decane and methyl oleate. At higher temperature, these species were not formed anymore and the presence of unsaturated species was observed. Because of the presence of the double bond in the middle of the alkyl chain of methyl oleate, the formation of some specific products was observed. These species are dienes and esters with two double bonds produced from the decomposition paths of methyl oleate and some species obtained from the addition of H-atoms, OH and HO{sub 2} radicals to the double bond. Experimental results were compared with former results of the oxidation of a blend of n-decane and methyl palmitate performed under similar conditions. This comparison allowed highlighting the similarities and the differences in the reactivity and in the distribution of the reaction products for the oxidation of large saturated and unsaturated esters. (author)

Bax, Sarah; Hakka, Mohammed Hichem; Glaude, Pierre-Alexandre; Herbinet, Olivier; Battin-Leclerc, Frederique [Laboratoire Reactions et Genie des Procedes, Nancy Universite, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54001 Nancy (France)

2010-06-15T23:59:59.000Z

54

Interactions between Ether Phospholipids and Cholesterol as Determined by Scattering and Molecular Dynamics Simulations  

SciTech Connect

Cholesterol and ether lipids are ubiquitous in mammalian cell membranes, and their interactions are crucial in ether lipid mediated cholesterol trafficking. We report on cholesterol s molecular interactions with ether lipids as determined using a combination of small-angle neutron and Xray scattering, and all-atom molecular dynamics (MD) simulations. A scattering density profile model for an ether lipid bilayer was developed using MD simulations, which was then used to simultaneously fit the different experimental scattering data. From analysis of the data the various bilayer structural parameters were obtained. Surface area constrained MD simulations were also performed to reproduce the experimental data. This iterative analysis approach resulted in good agreement between the experimental and simulated form factors. The molecular interactions taking place between cholesterol and ether lipids were then determined from the validated MD simulations. We found that in ether membranes cholesterol primarily hydrogen bonds with the lipid headgroup phosphate oxygen, while in their ester membrane counterparts cholesterol hydrogen bonds with the backbone ester carbonyls. This different mode of interaction between ether lipids and cholesterol induces cholesterol to reside closer to the bilayer surface, dehydrating the headgroup s phosphate moiety. Moreover, the three-dimensional lipid chain spatial density distribution around cholesterol indicates anisotropic chain packing, causing cholesterol to tilt. These insights lend a better understanding of ether lipid-mediated cholesterol trafficking and the roles that the different lipid species have in determining the structural and dynamical properties of membrane associated biomolecules.

Pan, Jianjun [ORNL; Cheng, Xiaolin [ORNL; Heberle, Frederick A [ORNL; Mostofian, Barmak [ORNL; Kucerka, Norbert [Canadian Neutron Beam Centre and Comelius University (Slovakia); Drazba, Paul [ORNL; Katsaras, John [ORNL

2012-01-01T23:59:59.000Z

55

Dimethyl ether (DME): a clean fuel of the 21st century and catalysts for it  

Science Conference Proceedings (OSTI)

Dimethyl ether (DME) is a substitute of LNG and light oil. DME burns without particulate matters and SOx, so DME is a clean fuel. DME is a storage and carrier of hydrogen. For these usages, useful catalysts such as DME steam reforming catalysts and DME ... Keywords: DME, alumina, catalyst, clean fuel, copper, dimethyl ether, direct synthesis, hydrogen, sol-gel method, steam reforming

Kaoru Takeishi

2009-02-01T23:59:59.000Z

56

Catalysts for hydrogen production by steam reforming of dimethyl ether (DME)  

Science Conference Proceedings (OSTI)

Dimethyl ether (DME) is expected as one of clean fuels. We have been studying on DME steam reforming for hydrogen production. Copper alumina catalysts prepared by a sol-gel method produced large quantities of H2 with DME steam reforming. The reason was ... Keywords: DME, alumina, catalyst, clean fuel, copper, dimethyl ether, hydrogen, sol-gel method, steam reforming

Kaoru Takeishi

2010-02-01T23:59:59.000Z

57

Development of single type copper alumina catalysts for hydrogen production from dimethyl ether (DME)  

Science Conference Proceedings (OSTI)

Dimethyl ether (DME) is expected as one of clean fuels. We have been studying on DME steam reforming for hydrogen production. Copper alumina catalysts prepared by the sol-gel method produced large quantities of H2 with DME steam reforming. Aiming at ... Keywords: DME, alumina, catalyst, clean fuel, copper, dimethyl ether, hydrogen, sol-gel method, steam reforming

Kaoru Takeishi; Atsushi Ban

2010-02-01T23:59:59.000Z

58

High octane ethers from synthesis gas-derived alcohols  

SciTech Connect

The temperature dependence of ether synthesis, particularly unsymmetric methylisobutylether (MIBE), was carried out over the Nafion-H microsaddles (MS) catalyst. The principal product formed under the rather severe reaction conditions of 1100 psig pressure and temperatures in the range of 123--157{degree}C was the expected MIBE formed directly by coupling the methanol/isobutanol reactants. In addition, significantly larger quantities of the dimethylether (DME) and hydrocarbon products were observed than were obtained under milder reaction conditions. Deactivation of the Nafion-H MS catalyst was determined by periodically testing the catalyst under a given set of reaction conditions for the synthesis of MIBE and MTBE from methanol/isobutanol = 2/1, i.e. 123{degree}C, 1100 psig, and total GHSV = 248 mol/kg cat/hr. After carrying out various tests over a period of 2420 hr, with intermittant periods of standing under nitrogen at ambient conditions, the yields of MIBE and MTBE had decreased by 25% and 41%, respectively. In order to gain insight into the role of the surface acidity in promoting the selective coupling of the alcohols to form the unsymmetric ether, the strengths of the acid sites on the catalysts are still being probed by calorimetric titrations in non-aqueous solutions. 11 refs., 13 figs., 9 tabs.

Klier, K.; Herman, R.G.; DeTavernier, S.; Johannson, M.; Kieke, M.; Bastian, R.D.

1991-07-01T23:59:59.000Z

59

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

60

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

Comb-shaped single ion conductors based on polyacrylate ethers and lithium  

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

Comb-shaped single ion conductors based on polyacrylate ethers and lithium Comb-shaped single ion conductors based on polyacrylate ethers and lithium alkyl sulfonate Title Comb-shaped single ion conductors based on polyacrylate ethers and lithium alkyl sulfonate Publication Type Journal Article Year of Publication 2005 Authors Sun, Xiao-Guang, Jun Hou, and John B. Kerr Journal Electrochimica Acta Volume 50 Pagination 1139-1147 Keywords ionic conductivity, plasticizer, polyacrylate ethers, single ion conductor Abstract Comb-shaped single ion conductors have been synthesized by sulfonation of small molecule chloroethyleneglycols, which, after ion exchange to the Li+ salt were then converted to the acrylate by reaction with acryloyl chloride and copolymerized with polyethylene glycol monomethyl ether acrylate (Mn = 454, n = 8) (PAE8-co-E3SO3Li);

62

Quantum ether: photons and electrons from a rotor model  

E-Print Network (OSTI)

We give an example of a purely bosonic model -- a rotor model on the 3D cubic lattice -- whose low energy excitations behave like massless U(1) gauge bosons and massless Dirac fermions. This model can be viewed as a ``quantum ether'': a medium that gives rise to both photons and electrons. It illustrates a general mechanism for the emergence of gauge bosons and fermions known as ``string-net condensation.'' Other, more complex, string-net condensed models can have excitations that behave like gluons, quarks and other particles in the standard model. This suggests that photons, electrons and other elementary particles may have a unified origin: string-net condensation in our vacuum.

Michael Levin; Xiao-Gang Wen

2005-07-13T23:59:59.000Z

63

Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report  

Science Conference Proceedings (OSTI)

The objective of the work was to enhance price-competitive, synthesis gas (syngas)-based production of transportation fuels that are directly compatible with the existing vehicle fleet (i.e., vehicles fueled by gasoline, diesel, jet fuel, etc.). To accomplish this, modifications to the traditional methanol-to-gasoline (MTG) process were investigated. In this study, we investigated direct conversion of syngas to distillates using methanol and dimethyl ether intermediates. For this application, a Pd/ZnO/Al2O3 (PdZnAl) catalyst previously developed for methanol steam reforming was evaluated. The PdZnAl catalyst was shown to be far superior to a conventional copper-based methanol catalyst when operated at relatively high temperatures (i.e., >300°C), which is necessary for MTG-type applications. Catalytic performance was evaluated through parametric studies. Process conditions such as temperature, pressure, gas-hour-space velocity, and syngas feed ratio (i.e., hydrogen:carbon monoxide) were investigated. PdZnAl catalyst formulation also was optimized to maximize conversion and selectivity to methanol and dimethyl ether while suppressing methane formation. Thus, a PdZn/Al2O3 catalyst optimized for methanol and dimethyl ether formation was developed through combined catalytic material and process parameter exploration. However, even after compositional optimization, a significant amount of undesirable carbon dioxide was produced (formed via the water-gas-shift reaction), and some degree of methane formation could not be completely avoided. Pd/ZnO/Al2O3 used in combination with ZSM-5 was investigated for direct syngas-to-distillates conversion. High conversion was achieved as thermodynamic constraints are alleviated when methanol and dimethyl are intermediates for hydrocarbon formation. When methanol and/or dimethyl ether are products formed separately, equilibrium restrictions occur. Thermodynamic relaxation also enables the use of lower operating pressures than what would be allowed for methanol synthesis alone. Aromatic-rich hydrocarbon liquid (C5+), containing a significant amount of methylated benzenes, was produced under these conditions. However, selectivity control to liquid hydrocarbons was difficult to achieve. Carbon dioxide and methane formation was problematic. Furthermore, saturation of the olefinic intermediates formed in the zeolite, and necessary for gasoline production, occurred over PdZnAl. Thus, yield to desirable hydrocarbon liquid product was limited. Evaluation of other oxygenate-producing catalysts could possibly lead to future advances. Potential exists with discovery of other types of catalysts that suppress carbon dioxide and light hydrocarbon formation. Comparative techno-economics for a single-step syngas-to-distillates process and a more conventional MTG-type process were investigated. Results suggest operating and capital cost savings could only modestly be achieved, given future improvements to catalyst performance. Sensitivity analysis indicated that increased single-pass yield to hydrocarbon liquid is a primary need for this process to achieve cost competiveness.

Dagle, Robert A.; Lebarbier, Vanessa MC; Lizarazo Adarme, Jair A.; King, David L.; Zhu, Yunhua; Gray, Michel J.; Jones, Susanne B.; Biddy, Mary J.; Hallen, Richard T.; Wang, Yong; White, James F.; Holladay, Johnathan E.; Palo, Daniel R.

2013-11-26T23:59:59.000Z

64

Conversion of Levulinic Acid to Methyl Tetrahydrofuran ...  

Search PNNL. PNNL Home; About; Research; Publications; Jobs; News; Contacts; Conversion of Levulinic Acid to Methyl Tetrahydrofuran. Battelle ...

65

Conversion of Levulinic Acid to Methyl Tetrahydrofuran ...  

Biomass and Biofuels Conversion of Levulinic Acid to Methyl Tetrahydrofuran Pacific Northwest National Laboratory. Contact PNNL About This Technology ...

66

Heterogeneous catalyst for the production of acetic anhydride from methyl acetate  

DOE Patents (OSTI)

This invention relates to a process for producing acetic anhydride by the reaction of methyl acetate, carbon monoxide, and hydrogen at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that contains an insoluble polymer having pendant quaternized phosphine groups, some of which phosphine groups are ionically bonded to anionic Group VIII metal complexes, the remainder of the phosphine groups being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for consecutive runs without loss in activity. Bifunctional catalysts for use in carbonylating dimethyl ether are also provided.

Ramprasad, Dorai (Allentown, PA); Waller, Francis Joseph (Allentown, PA)

1999-01-01T23:59:59.000Z

67

Combustion characterization of methylal in reciprocating engines  

DOE Green Energy (OSTI)

Methylal, CH{sub 3}OCH{sub 2}OCH{sub 3}, also known as dimethoxy-methane, is unique among oxygenates in that it has a low autoignition temperature, no carbon-carbon bonds, and is soluble in middle distillate fuels. Because of these properties, methylal has been shown to be a favorable fuel additive for reducing smoke in diesel engines. Recent measurements of ignition delay times indicate that methylal has a cetane number in the range of 45-50, which is compatible with diesel fuels. Engine tests have shown that adding methylal to diesel fuel significantly reduces smoke emissions. Gaseous emissions and combustion efficiencies obtained with methylal/diesel fuel blends remain essentially the same as those measured using neat diesel fuel. Lubricity measurements of methylal/diesel fuel blends with a ball on cylinder lubrication evaluator (BOCLE) show that methylal improves the lubricity of diesel fuel. Even though additions of methylal lower the fuel viscosity, the results of the BOCLE tests indicate that the methylal/diesel fuel blends cause less pump wear than neat diesel fuel. The one drawback is that methylal has a low boiling point (42{degrees}C) and a relatively high vapor pressure. As a result, it lowers the flash point of diesel fuel and causes a potential fuel tank flammability hazard. One solution to this increased volatility is to make polyoxymethylenes with the general formula of CH{sub 3}O(CH{sub 2}O){sub x}CH{sub 3} where x > 2. The molecules are similar to methylal, but have higher molecular weights and thus higher viscosities and substantially lower vapor pressures. Therefore, their flash points will be compatible with regular diesel fuel. The polyoxymethylenes are expected to have combustion properties similar to methylal. It is theorized that by analogy with hydrocarbons, the ignition quality (i.e., cetane number) of the polyoxymethylenes will be better than that of methylal.

Dodge, L.; Naegeli, D. [Southwest Research Institute, San Antonio, TX (United States)

1994-06-01T23:59:59.000Z

68

DIMETHYL ETHER (DME)-FUELED SHUTTLE BUS DEMONSTRATION PROJECT  

DOE Green Energy (OSTI)

The objectives of this research and demonstration program are to convert a campus shuttle bus to operation on dimethyl ether, a potential ultra-clean alternative diesel fuel. To accomplish this objective, this project includes laboratory evaluation of a fuel conversion strategy, as well as, field demonstration of the DME-fueled shuttle bus. Since DME is a fuel with no lubricity (i.e., it does not possess the lubricating quality of diesel fuel), conventional fuel delivery and fuel injection systems are not compatible with dimethyl ether. Therefore, to operate a diesel engine on DME one must develop a fuel-tolerant injection system, or find a way to provide the necessary lubricity to the DME. In this project, they have chosen the latter strategy in order to achieve the objective with minimal need to modify the engine. Their strategy is to blend DME with diesel fuel, to obtain the necessary lubricity to protect the fuel injection system and to achieve low emissions. The bulk of the efforts over the past year were focused on the conversion of the campus shuttle bus. This process, started in August 2001, took until April 2002 to complete. The process culminated in an event to celebrate the launching of the shuttle bus on DME-diesel operation on April 19, 2002. The design of the system on the shuttle bus was patterned after the system developed in the engine laboratory, but also was subjected to a rigorous failure modes effects analysis (FMEA, referred to by Air Products as a ''HAZOP'' analysis) with help from Dr. James Hansel of Air Products. The result of this FMEA was the addition of layers of redundancy and over-pressure protection to the system on the shuttle bus. The system became operational in February 2002. Preliminary emissions tests and basic operation of the shuttle bus took place at the Pennsylvania Transportation Institute's test track facility near the University Park airport. After modification and optimization of the system on the bus, operation on the campus shuttle route began in early June 2002. However, the work and challenges continued as it has been difficult to maintain operability of the shuttle bus due to fuel and component difficulties. In late June 2002, the pump head itself developed operational problems (loss of smooth function) leading to excessive stress on the magnetic coupling and excessive current draw to operate. A new pump head was installed on the system to alleviate this problem and the shuttle bus operated successfully on DME blends from 10-25 vol% on the shuttle bus loop until September 30, 2002. During the period of operation on the campus loop, the bus was pulled from service, operated at the PTI test track and real-time emissions measurements were obtained using an on-board emissions analyzer from Clean Air Technologies International, Inc. Particulate emissions reductions of 60% and 80% were observed at DME blend ratios of 12 vol.% and 25 vol.%, respectively, as the bus was operated over the Orange County driving cycle. Increases in NOx, CO and HC emissions were observed, however. In summary, the conversion of the shuttle bus was successfully accomplished, particulate emissions reductions were observed, but there were operational challenges in the field. Nonetheless, they were able to demonstrate reliable operation of the shuttle bus on DME-diesel blends.

Elana M. Chapman; Shirish Bhide; Jennifer Stefanik; Howard Glunt; Andre L. Boehman; Allen Homan; David Klinikowski

2003-04-01T23:59:59.000Z

69

EXTRACTION OF TETRAVALENT PLUTONIUM VALUES WITH METHYL ETHYL KETONE, METHYL ISOBUTYL KETONE ACETOPHENONE OR MENTHONE  

DOE Patents (OSTI)

A process is described for extracting tetravalent plutonium from an aqueous acid solution with methyl ethyl ketone, methyl isobutyl ketone, or acetophenone and with the extraction of either tetravalent or hexavalent plutonium into menthone. (AEC)

Seaborg, G.T.

1961-08-01T23:59:59.000Z

70

Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate  

DOE Green Energy (OSTI)

New chemical kinetic reaction mechanisms are developed for two of the five major components of biodiesel fuel, methyl stearate and methyl oleate. The mechanisms are produced using existing reaction classes and rules for reaction rates, with additional reaction classes to describe other reactions unique to methyl ester species. Mechanism capabilities were examined by computing fuel/air autoignition delay times and comparing the results with more conventional hydrocarbon fuels for which experimental results are available. Additional comparisons were carried out with measured results taken from jet-stirred reactor experiments for rapeseed methyl ester fuels. In both sets of computational tests, methyl oleate was found to be slightly less reactive than methyl stearate, and an explanation of this observation is made showing that the double bond in methyl oleate inhibits certain low temperature chain branching reaction pathways important in methyl stearate. The resulting detailed chemical kinetic reaction mechanism includes more approximately 3500 chemical species and more than 17,000 chemical reactions.

Naik, C; Westbrook, C K; Herbinet, O; Pitz, W J; Mehl, M

2010-01-22T23:59:59.000Z

71

EA-1157: Methyl Chloride via Oxyhydrochlorination of Methane...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

1157: Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas, Carrollton, Kentucky EA-1157: Methyl Chloride via...

72

Lithium Hexamethyldisilazide-Mediated Ketone Enolization: The Influence of Hindered Dialkyl Ethers and Isostructural  

E-Print Network (OSTI)

Lithium Hexamethyldisilazide-Mediated Ketone Enolization: The Influence of Hindered Dialkyl Ethers of the enolization of 2-methylcyclohexanone mediated by lithium hexameth- yldisilazide (LiHMDS; TMS2NLi) solvated- bine to make lithium hexamethyldisilazide (LiHMDS) one of the most important Bro¨nsted bases in organic

Collum, David B.

73

Direct synthesis of dimethyl ether (DME) from syngas containing oxygen gas considering of biomass gasfication gas  

Science Conference Proceedings (OSTI)

We have developed appropriate and excellent catalysts for direct DME synthesis from syngas. The catalysts, Cu-Zn/Al2O3 catalysts prepared by the sol-gel method, produce DME with high DME activity and high DME selectivity with long ... Keywords: DME, biomass, catalyst, clean fuel, dimethyl ether, direct synthesis, gasification gas, hydrogen, sol-gel method, syngas

Kaoru Takeishi; Akane Arase

2010-02-01T23:59:59.000Z

74

Assessment of ether and alcohol fuels from coal. Volume 2. Technical report  

DOE Green Energy (OSTI)

A unique route for the indirect liquefaction of coal to produce transportation fuel has been evaluated. The resultant fuel includes alkyl tertiary alkyl ethers and higher alcohols, all in the gasoline boiling range. When blended into gasoline, the ether fuel provides several advantages over the lower alcohols: (1) lower chemical oxygen content, (2) less-severe water-separation problems, and (3) reduced front-end volatility effects. The ether fuel also has high-octane quality. Further, it can be utilized as a gasoline substitute in all proportions. Production of ether fuel combines several steps, all of which are or have been practiced on an industrial scale: (1) coal gasification, (2) gas cleanup and shift to desired H/sub 2/:CO ratio, (3) conversion of synthesis gas to isobutanol, methanol, and higher alcohols, (4) separation of alcohols, (5) chemical dehydration of isobutanol to isobutylene, and (6) etherification of isobutylene with methanol. A pilot-plant investigation of the isobutanol synthesis step was performed. Estimates of ether-fuel manufacturing costs indicate this process route is significantly more costly than synthesis of methanol. However, the fuel performance features provide incentive for developing the necessary process and catalyst improvements. Co-production of higher-molecular-weight co-solvent alcohols represents a less-drastic form of methanol modification to achieve improvement in the performance of methanol-gasoline blends. Costs were estimated for producing several proportions of methanol plus higher alcohols from coal. Estimated fuel selling price increases regularly but modestly with higher alcohol content.

Not Available

1983-03-01T23:59:59.000Z

75

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

76

Process to convert biomass and refuse derived fuel to ethers and/or alcohols  

DOE Patents (OSTI)

A process for conversion of a feedstock selected from the group consisting of biomass and refuse derived fuel (RDF) to provide reformulated gasoline components comprising a substantial amount of materials selected from the group consisting of ethers, alcohols, or mixtures thereof, comprising: drying said feedstock; subjecting said dried feedstock to fast pyrolysis using a vortex reactor or other means; catalytically cracking vapors resulting from said pyrolysis using a zeolite catalyst; condensing any aromatic byproduct fraction; catalytically alkylating any benzene present in said vapors after condensation; catalytically oligomerizing any remaining ethylene and propylene to higher olefins; isomerizing said olefins to reactive iso-olefins; and catalytically reacting said iso-olefins with an alcohol to form ethers or with water to form alcohols.

Diebold, James P. (Lakewood, CO); Scahill, John W. (Evergreen, CO); Chum, Helena L. (Arvada, CO); Evans, Robert J. (Lakewood, CO); Rejai, Bahman (Lakewood, CO); Bain, Richard L. (Golden, CO); Overend, Ralph P. (Lakewood, CO)

1996-01-01T23:59:59.000Z

77

Process to convert biomass and refuse derived fuel to ethers and/or alcohols  

DOE Patents (OSTI)

A process is described for conversion of a feedstock selected from the group consisting of biomass and refuse derived fuel (RDF) to provide reformulated gasoline components comprising a substantial amount of materials selected from the group consisting of ethers, alcohols, or mixtures thereof, comprising: drying said feedstock; subjecting said dried feedstock to fast pyrolysis using a vortex reactor or other means; catalytically cracking vapors resulting from said pyrolysis using a zeolite catalyst; condensing any aromatic byproduct fraction; catalytically alkylating any benzene present in said vapors after condensation; catalytically oligomerizing any remaining ethylene and propylene to higher olefins; isomerizing said olefins to reactive iso-olefins; and catalytically reacting said iso-olefins with an alcohol to form ethers or with water to form alcohols. 35 figs.

Diebold, J.P.; Scahill, J.W.; Chum, H.L.; Evans, R.J.; Rejai, B.; Bain, R.L.; Overend, R.P.

1996-04-02T23:59:59.000Z

78

Methylal and Methylal-Diesel Blended Fuels from Use In Compression-Ignition Engines  

DOE Green Energy (OSTI)

Gas-to-liquids catalytic conversion technologies show promise for liberating stranded natural gas reserves and for achieving energy diversity worldwide. Some gas-to-liquids products are used as transportation fuels and as blendstocks for upgrading crude derived fuels. Methylal (CH{sub 3}-O-CH{sub 2}-O-CH{sub 3}) also known as dimethoxymethane or DMM, is a gas-to-liquid chemical that has been evaluated for use as a diesel fuel component. Methylal contains 42% oxygen by weight and is soluble in diesel fuel. The physical and chemical properties of neat methylal and for blends of methylal in conventional diesel fuel are presented. Methylal was found to be more volatile than diesel fuel, and special precautions for distribution and fuel tank storage are discussed. Steady state engine tests were also performed using an unmodified Cummins 85.9 turbocharged diesel engine to examine the effect of methylal blend concentration on performance and emissions. Substantial reductions of particulate matter emissions h ave been demonstrated 3r IO to 30% blends of methylal in diesel fuel. This research indicates that methylal may be an effective blendstock for diesel fuel provided design changes are made to vehicle fuel handling systems.

Keith D. Vertin; James M. Ohi; David W. Naegeli; Kenneth H. Childress; Gary P. Hagen; Chris I. McCarthy; Adelbert S. Cheng; Robert W. Dibble

1999-05-05T23:59:59.000Z

79

Modeling the Nanophase Structural Dynamics of Phenylated Sulfonated Poly Ether Ether Ketone Ketone (Ph-SPEEKK) Membranes as a Function of Hydration  

DOE Green Energy (OSTI)

Solvated phenylated sulfonated poly ether ether ketone ketone (Ph-SPEEKK) membranes in the presence of hydronium ions were modeled by classical molecular dynamics simulations. The characterization of the nanophase structure and dynamics of such membranes was carried out as a function of the water content lambda, where lambda is the number of water molecules per sulfonate group, for lambda values of 3.5, 6, 11, 25, and 40. Analysis of pair correlation functions supports the experimental observation of membrane swelling upon hydration as well the increase in water and hydronium ion diffusion with increasing lambda. While the average number of hydrogen bonds between hydronium ions and sulfonate groups is dramatically affected by the hydration level, the average lifetime of the hydrogen bonds remains essentially constant. The membrane is found to be relatively rigid and its overall flexibility shows little dependence on water content. Compared to Nafion, water and ion diffusion coefficients are considerably smaller at lower hydration levels and room temperature. However, at higher lambda values of 25 and 40 these coefficients are comparable to those in Nafion at a lambda value of 16. This study also shows that water diffusion in Ph-SPEEKK membranes at low hydration levels can be significantly improved by raising the temperature with important implications for proton conductivity.

Lins, Roberto D.; Devanathan, Ramaswami; Dupuis, Michel

2011-03-03T23:59:59.000Z

80

2' and 3' Carboranyl uridines and their diethyl ether adducts  

DOE Patents (OSTI)

There is disclosed a process for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. Said carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of said compounds in methods for boron neutron capture therapy in mammalian tumor cells.

Soloway, Albert H. (Worthington, OH); Barth, Rolf F. (Columbus, OH); Anisuzzaman, Abul K. (Columbus, OH); Alam, Fazlul (Anaheim, CA); Tjarks, Werner (Columbus, OH)

1992-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

2[prime] and 3[prime] Carboranyl uridines and their diethyl ether adducts  

DOE Patents (OSTI)

A process is described for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. The carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of the compounds in methods for boron neutron capture therapy in mammalian tumor cells. No Drawings

Soloway, A.H.; Barth, R.F.; Anisuzzaman, A.K.; Alam, F.; Tjarks, W.

1992-12-15T23:59:59.000Z

82

Martian Methyl Chloride. A lesson in uncertainty  

E-Print Network (OSTI)

The MSL Lander Curiosity has recently detected methyl halides coming from heated samples of Martian soil. This is reminiscent of similar findings in the Viking Lander spacecraft. In the 1970s a consensus developed quickly explaining the methyl halides as contamination originating from the spacecraft, and ignoring lines of evidence that the two compounds originated from Mars, and that they could not have originated from the proposed spacecraft chemistry. I discuss why this consensus developed from the understanding of biochemistry and geochemistry of 1976, despite its implausibility. Subsequent explanations for the Viking methyl halides are more plausible but still not proven. The Curiosity rover results are also being explained as a result of on-spacecraft chemistry. I urge caution in this interpretation, in light of the historical Viking example: it is better to leave unexplained data unexplained than to lock in an explanation that precludes future developments.

Bains, William

2013-01-01T23:59:59.000Z

83

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

84

Association Behavior of Poly (methyl methacrylate-b-methacrylic acid-b-methyl methacrylate) in Aqueous Medium  

E-Print Network (OSTI)

ABA type tri-block amphiphilic polyelectrolyte consisting of poly(methyl methacrylate-block-methacrylic acid-block-methyl methacrylate) (P(MMA-b-MAA-b-MMA)) was synthesized by atom transfer radical polymerization technique ...

Yao, Jia

85

An Experimental and Kinetic Modeling Study of Methyl Decanoate Combustion  

DOE Green Energy (OSTI)

Biodiesel is a mixture of long chain fatty acid methyl esters derived from fats and oils. This research study presents opposed-flow diffusion flame data for one large fatty acid methyl ester, methyl decanoate, and uses the experiments to validate an improved skeletal mechanism consisting of 648 species and 2998 reactions. The results indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene.

Sarathy, S M; Thomson, M J; Pitz, W J; Lu, T

2009-12-04T23:59:59.000Z

86

Oxidation and methylation of dissolved elemental mercury by anaerobic bacteria  

Science Conference Proceedings (OSTI)

Methylmercury is a neurotoxin that poses significant health risks to humans. Some anaerobic sulphate- and iron-reducing bacteria can methylate oxidized forms of mercury, generating methylmercury1-4. One strain of sulphate-reducing bacteria (Desulfovibrio desulfuricans ND132) can also methylate elemental mercury5. The prevalence of this trait among different bacterial strains and species remains unclear, however. Here, we compare the ability of two strains of the sulphate-reducing bacterium Desulfovibrio and one strain of the iron-reducing bacterium Geobacter to oxidise and methylate elemental mercury in a series of laboratory incubations. Experiments were carried out under dark, anaerobic conditions, in the presence of environmentally-relevant concentrations of elemental mercury. We report differences in the ability of these organisms to oxidise and methylate elemental mercury. In line with recent findings5, we show that Desulfovibrio desulfuricans ND132 can both oxidise and methylate elemental mercury. However, the rate of methylation of elemental mercury is only about one third the rate of methylation of oxidized mercury. We also show that Desulfovibrio alaskensis G20 can oxidise, but not methylate, elemental mercury. Geobacter sulfurreducens PCA is able to oxidise and methylate elemental mercury in the presence of cysteine. We suggest that the activity of methylating and non-methylating bacteria may together enhance the formation of methylmercury in anaerobic environments.

Hu, Haiyan [ORNL] [ORNL; Lin, Hui [ORNL] [ORNL; Zheng, Wang [ORNL] [ORNL; Tomanicek, Stephen J [ORNL] [ORNL; Johs, Alexander [ORNL] [ORNL; Feng, Xinbin [ORNL] [ORNL; Elias, Dwayne A [ORNL] [ORNL; Liang, Liyuan [ORNL] [ORNL; Liang, Liyuan [ORNL] [ORNL; Gu, Baohua [ORNL] [ORNL

2013-01-01T23:59:59.000Z

87

Structural Basis for Methyl Transfer by a Radical SAM Enzyme  

SciTech Connect

The radical S-adenosyl-l-methionine (SAM) enzymes RlmN and Cfr methylate 23S ribosomal RNA, modifying the C2 or C8 position of adenosine 2503. The methyl groups are installed by a two-step sequence involving initial methylation of a conserved Cys residue (RlmN Cys{sup 355}) by SAM. Methyl transfer to the substrate requires reductive cleavage of a second equivalent of SAM. Crystal structures of RlmN and RlmN with SAM show that a single molecule of SAM coordinates the [4Fe-4S] cluster. Residue Cys{sup 355} is S-methylated and located proximal to the SAM methyl group, suggesting the SAM that is involved in the initial methyl transfer binds at the same site. Thus, RlmN accomplishes its complex reaction with structural economy, harnessing the two most important reactivities of SAM within a single site.

Boal, Amie K.; Grove, Tyler L.; McLaughlin, Monica I.; Yennawar, Neela H.; Booker, Squire J.; Rosenzweig, Amy C. (NWU); (Penn)

2011-09-16T23:59:59.000Z

88

Commercial-scale demonstration of the Liquid Phase Methanol (LPMEOH{trademark}) Process. Peroxide formation of dimethyl ether in methanol mixtures  

DOE Green Energy (OSTI)

Organic peroxides could form when dimethyl ether in methanol is stored for three to six months at a time. The objective of this work was to determine the level of peroxide formation from dimethyl ether in reagent grade methanol and raw methanol at room temperature under 3 atmospheres (45 psig) of air. Raw methanol is methanol made from syngas by the LPMEOH Process without distillation. Aliphatic ethers tend to react slowly with oxygen from the air to form unstable peroxides. However, there are no reports on peroxide formation from dimethyl ether. After 172 days of testing, dimethyl ether in either reagent methanol or raw methanol at room temperature and under 60--70 psig pressure of air does not form detectable peroxides. Lack of detectable peroxides suggests that dimethyl ether or dimethyl ether and methanol may be stored at ambient conditions. Since the compositions of {approximately} 1.3 mol% or {approximately} 4.5 mol% dimethyl ether in methanol do not form peroxides, these compositions can be considered for diesel fuel or an atmospheric turbine fuel, respectively.

Waller, F.J.

1997-11-01T23:59:59.000Z

89

Research Article Rapeseed Oil Monoester of Ethylene Glycol Monomethyl Ether as a New Biodiesel  

E-Print Network (OSTI)

Copyright © 2011 Jiang Dayong et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. A novel biodiesel named rapeseed oil monoester of ethylene glycol monomethyl ether is developed. This fuel has one more ester group than the traditional biodiesel. The fuel was synthesized and structurally identified through FT-IR and P 1P H NMR analyses. Engine test results show that when a tested diesel engine is fueled with this biodiesel in place of 0 # diesel fuel, engine-out smoke emissions can be decreased by 25.0%–75.0%, CO emissions can be reduced by 50.0%, and unburned HC emissions are lessened significantly. However, NOx emissions generally do not change noticeably. In the area of combustion performance, both engine in-cylinder pressure and its changing rate with crankshaft angle are increased to some extent. Rapeseed oil monoester of ethylene glycol monomethyl ether has a much higher cetane number and shorter ignition delay, leading to autoignition 1.1 ? CA earlier than diesel fuel during engine operation. Because of certain amount of oxygen contained in the new biodiesel, the engine thermal efficiency is improved 13.5%–20.4 % when fueled with the biodiesel compared with diesel fuel. 1.

Jiang Dayong; Wang Xuanjun; Liu Shuguang; Guo Hejun

2011-01-01T23:59:59.000Z

90

Calixarene crown ether solvent composition and use thereof for extraction of cesium from alkaline waste solutions  

DOE Patents (OSTI)

A solvent composition and corresponding method for extracting cesium (Cs) from aqueous neutral and alkaline solutions containing Cs and perhaps other competing metal ions is described. The method entails contacting an aqueous Cs-containing solution with a solvent consisting of a specific class of lipophilic calix[4]arene-crown ether extractants dissolved in a hydrocarbon-based diluent containing a specific class of alkyl-aromatic ether alcohols as modifiers. The cesium values are subsequently recovered from the extractant, and the solvent subsequently recycled, by contacting the Cs-containing organic solution with an aqueous stripping solution. This combined extraction and stripping method is especially useful as a process for removal of the radionuclide cesium-137 from highly alkaline waste solutions which are also very concentrated in sodium and potassium. No pre-treatment of the waste solution is necessary, and the cesium can be recovered using a safe and inexpensive stripping process using water, dilute (millimolar) acid solutions, or dilute (millimolar) salt solutions. An important application for this invention would be treatment of alkaline nuclear tank wastes. Alternatively, the invention could be applied to decontamination of acidic reprocessing wastes containing cesium-137.

Moyer, Bruce A. (Oak Ridge, TN); Sachleben, Richard A. (Knoxville, TN); Bonnesen, Peter V. (Knoxville, TN); Presley, Derek J. (Ooltewah, TN)

2001-01-01T23:59:59.000Z

91

Exhaust Emissions and Combustion Performances of Rapeseed Oil Monoester of Ethylene Glycol Monomethyl Ether as a Novel Biodiesel  

Science Conference Proceedings (OSTI)

In this paper, a novel biodiesel named rapeseed oil monoester of ethylene glycol monomethyl ether has been developed, which has one more ester group than traditional biodiesel. It was synthesized and structurally identified through FT-IR, 1H NMR analyses. ... Keywords: component, rapeseed oil monoester, synthesis, exhaust emissions, combustion performances

Jiang Dayong; Wang Xuanjun; Wang Wenguo; Han Qilong

2011-02-01T23:59:59.000Z

92

An Experimental and Kinetic Modeling Study of Methyl Decanoate Combustion  

DOE Green Energy (OSTI)

Biodiesel is typically a mixture of long chain fatty acid methyl esters for use in compression ignition engines. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This research study presents new combustion data for methyl decanoate in an opposed-flow diffusion flame. An improved detailed chemical kinetic model for methyl decanoate combustion is developed, which serves as the basis for deriving a skeletal mechanism via the direct relation graph method. The novel skeletal mechanism consists of 648 species and 2998 reactions. This mechanism well predicts the methyl decanoate opposed-flow diffusion flame data. The results from the flame simulations indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene.

Sarathy, S M; Thomson, M J; Pitz, W J; Lu, T

2010-02-19T23:59:59.000Z

93

Process for the production of ethylidene diacetate from dimethyl ether using a heterogeneous catalyst  

DOE Patents (OSTI)

This invention relates to a process for producing ethylidene diacetate by the reaction of dimethyl ether, acetic acid, hydrogen and carbon monoxide at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that is stable to hydrogenation and comprises an insoluble polymer having pendant quaternized heteroatoms, some of which heteroatoms are ionically bonded to anionic Group VIII metal complexes, the remainder of the heteroatoms being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for 3 consecutive runs without loss in activity.

Ramprasad, D.; Waller, F.J.

1998-04-28T23:59:59.000Z

94

Process for the production of ethylidene diacetate from dimethyl ether using a heterogeneous catalyst  

DOE Patents (OSTI)

This invention relates to a process for producing ethylidene diacetate by the reaction of dimethyl ether, acetic acid, hydrogen and carbon monoxide at elevated temperatures and pressures in the presence of an alkyl halide and a heterogeneous, bifunctional catalyst that is stable to hydrogenation and comprises an insoluble polymer having pendant quaternized heteroatoms, some of which heteroatoms are ionically bonded to anionic Group VIII metal complexes, the remainder of the heteroatoms being bonded to iodide. In contrast to prior art processes, no accelerator (promoter) is necessary to achieve the catalytic reaction and the products are easily separated from the catalyst by filtration. The catalyst can be recycled for 3 consecutive runs without loss in activity.

Ramprasad, Dorai (Allentown, PA); Waller, Francis Joseph (Allentown, PA)

1998-01-01T23:59:59.000Z

95

Use of aluminum phosphate as the dehydration catalyst in single step dimethyl ether process  

DOE Green Energy (OSTI)

The present invention pertains to a process for the coproduction of methanol and dimethyl ether (DME) directly from a synthesis gas in a single step (hereafter, the "single step DME process"). In this process, the synthesis gas comprising hydrogen and carbon oxides is contacted with a dual catalyst system comprising a physical mixture of a methanol synthesis catalyst and a methanol dehydration catalyst. The present invention is an improvement to this process for providing an active and stable catalyst system. The improvement comprises the use of an aluminum phosphate based catalyst as the methanol dehydration catalyst. Due to its moderate acidity, such a catalyst avoids the coke formation and catalyst interaction problems associated with the conventional dual catalyst systems taught for the single step DME process.

Peng, Xiang-Dong (Allentown, PA); Parris, Gene E. (Coopersburg, PA); Toseland, Bernard A. (Allentown, PA); Battavio, Paula J. (Allentown, PA)

1998-01-01T23:59:59.000Z

96

Hydrogen production from the steam reforming of Dinethyl Ether and Methanol  

SciTech Connect

This study investigates dimethyl ether (DME) steam reforming for the generation of hydrogen rich fuel cell feeds for fuel cell applications. Methanol has long been considered as a fuel for the generation of hydrogen rich fuel cell feeds due to its high energy density, low reforming temperature, and zero impurity content. However, it has not been accepted as the fuel of choice due its current limited availability, toxicity and corrosiveness. While methanol steam reforming for the generation of hydrogen rich fuel cell feeds has been extensively studied, the steam reforming of DME, CH{sub 3}OCH{sub 3} + 3H{sub 2}O = 2CO{sub 2} + 6H{sub 2}, has had limited research effort. DME is the simplest ether (CH{sub 3}OCH{sub 3}) and is a gas at ambient conditions. DME has physical properties similar to those of LPG fuels (i.e. propane and butane), resulting in similar storage and handling considerations. DME is currently used as an aerosol propellant and has been considercd as a diesel substitute due to the reduced NOx, SOx and particulate emissions. DME is also being considered as a substitute for LPG fuels, which is used extensively in Asia as a fuel for heating and cooking, and naptha, which is used for power generation. The potential advantages of both methanol and DME include low reforming temperature, decreased fuel proccssor startup energy, environmentally benign, visible flame, high heating value, and ease of storage and transportation. In addition, DME has the added advantages of low toxicity and being non-corrosive. Consequently, DME may be an ideal candidate for the generation of hydrogen rich fuel cell feeds for both automotive and portable power applications. The steam reforming of DME has been demonstrated to occur through a pair of reactions in series, where the first reaction is DME hydration followed by MeOH steam reforming to produce a hydrogen rich stream.

Semelsberger, T. A. (Troy A.); Borup, R. L. (Rodney L.)

2004-01-01T23:59:59.000Z

97

Structural Analysis of a Ni-Methyl Species in Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis  

SciTech Connect

We present the 1.2 {angstrom} resolution X-ray crystal structure of a Ni-methyl species that is a proposed catalytic intermediate in methyl-coenzyme M reductase (MCR), the enzyme that catalyzes the biological formation of methane. The methyl group is situated 2.1 {angstrom} proximal of the Ni atom of the MCR coenzyme F{sub 430}. A rearrangement of the substrate channel has been posited to bring together substrate species, but Ni(III)-methyl formation alone does not lead to any observable structural changes in the channel.

Cedervall, Peder E.; Dey, Mishtu; Li, Xianghui; Sarangi, Ritimukta; Hedman, Britt; Ragsdale, Stephen W.; Wilmot, Carrie M. (Michigan); (SLAC); (UMM)

2012-02-15T23:59:59.000Z

98

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

99

Production of methyl-vinyl ketone from levulinic acid  

DOE Patents (OSTI)

A method for converting levulinic acid to methyl vinyl ketone is described. The method includes the steps of reacting an aqueous solution of levulinic acid, over an acid catalyst, at a temperature of from room temperature to about 1100 K. Methyl vinyl ketone is thereby formed.

Dumesic, James A. (Verona, WI); West; Ryan M. (Madison, WI)

2011-06-14T23:59:59.000Z

100

EA-1157: Methyl Chloride via Oxyhydrochlorination of Methane: A Building  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

57: Methyl Chloride via Oxyhydrochlorination of Methane: A 57: Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas, Carrollton, Kentucky EA-1157: Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas, Carrollton, Kentucky SUMMARY This EA evaluates the environmental impacts for the proposal to advance Oxyhydrochlorination technology to an integrated engineering-scale process. PUBLIC COMMENT OPPORTUNITIES None available at this time. DOCUMENTS AVAILABLE FOR DOWNLOAD September 27, 1996 EA-1157: Finding of No Significant Impact Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for Chemicals and Fuels from Natural Gas September 27, 1996 EA-1157: Final Environmental Assessment Methyl Chloride via Oxyhydrochlorination of Methane: A Building Black for

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

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

102

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

103

Polybrominated diphenyl ethers (PBDEs) in leachates from selected landfill sites in South Africa  

Science Conference Proceedings (OSTI)

The last few decades have seen dramatic growth in the scale of production and the use of polybrominated diphenyl ethers (PBDEs) as flame retardants. Consequently, PBDEs such as BDE -28, -47, -66, -71, -75, -77, -85, -99, -100, -119, -138, -153, -154, and -183 have been detected in various environmental matrices. Generally, in South Africa, once the products containing these chemicals have outlived their usefulness, they are discarded into landfill sites. Consequently, the levels of PBDEs in leachates from landfill sites may give an indication of the general exposure and use of these compounds. The present study was aimed at determining the occurrence and concentrations of most common PBDEs in leachates from selected landfill sites. The extraction capacities of the solvents were also tested. Spiked landfill leachate samples were used for the recovery tests. Separation and determination of the PBDE congeners were carried out with a gas chromatograph equipped with Ni{sup 63} electron capture detector. The mean percentage recoveries ranged from 63% to 108% (n = 3) for landfill leachate samples with petroleum ether giving the highest percentage extraction. The mean concentrations of PBDEs obtained ranged from ND to 2670 pg l{sup -1}, ND to 6638 pg l{sup -1}, ND to 7230 pg l{sup -1}, 41 to 4009 pg l{sup -1}, 90 to 9793 pg l{sup -1} for the Garankuwa, Hatherly, Kwaggarsrand, Soshanguve and Temba landfill sites, respectively. Also BDE -28, -47, -71 and BDE-77 were detected in the leachate samples from all the landfill sites; and all the congeners were detected in two of the oldest landfill sites. The peak concentrations were recorded for BDE-47 at three sites and BDE-71 and BDE-75 at two sites. The highest concentration, 9793 {+-} 1.5 pg l{sup -1}, was obtained for the Temba landfill site with the highest BOD value. This may suggest some influence of organics on the level of PBDEs. Considering the leaching characteristics of brominated flame retardants, there is a high possibility that with time these compounds may infiltrate into the groundwater around the sites since most of the sites are not adequately lined.

Odusanya, David O. [Department of Environmental, Water and Earth Sciences, Faculty of Science, Tshwane University of Technology, Private Bag X680, 175 Nelson Mandela Drive, Arcadia, Pretoria 0001 (South Africa); Okonkwo, Jonathan O. [Department of Environmental, Water and Earth Sciences, Faculty of Science, Tshwane University of Technology, Private Bag X680, 175 Nelson Mandela Drive, Arcadia, Pretoria 0001 (South Africa)], E-mail: OkonkwoOJ@tut.ac.za; Botha, Ben [Department of Environmental, Water and Earth Sciences, Faculty of Science, Tshwane University of Technology, Private Bag X680, 175 Nelson Mandela Drive, Arcadia, Pretoria 0001 (South Africa)

2009-01-15T23:59:59.000Z

104

Lithium Methyl Carbonate as a Reaction Product of Metallic Lithium and Dimethyl Carbonate  

E-Print Network (OSTI)

of chemically synthesized lithium methylcarbonate (CH 3 OCOmolecular structures of lithium methyl carbonate (CH 3 OCO 2FTIR study also suggests that lithium methyl carbonate has

Zhuang, Guorong V.; Yang, Hui; Ross Jr., Philip N.; Xu, Kang; Jow, T. Richard

2005-01-01T23:59:59.000Z

105

Decrease of intracellular pH as possible mechanism of embryotoxicity of glycol ether alkoxyacetic acid metabolites  

SciTech Connect

Embryotoxicity of glycol ethers is caused by their alkoxyacetic acid metabolites, but the mechanism underlying the embryotoxicity of these acid metabolites is so far not known. The present study investigates a possible mechanism underlying the embryotoxicity of glycol ether alkoxyacetic acid metabolites using the methoxyacetic acid (MAA) metabolite of ethylene glycol monomethyl ether as the model compound. The results obtained demonstrate an MAA-induced decrease of the intracellular pH (pH{sub i}) of embryonic BALB/c-3T3 cells as well as of embryonic stem (ES)-D3 cells, at concentrations that affect ES-D3 cell differentiation. These results suggest a mechanism for MAA-mediated embryotoxicity similar to the mechanism of embryotoxicity of the drugs valproic acid and acetazolamide (ACZ), known to decrease the pH{sub i}in vivo, and therefore used as positive controls. The embryotoxic alkoxyacetic acid metabolites ethoxyacetic acid, butoxyacetic acid and phenoxyacetic acid also caused an intracellular acidification of BALB/c-3T3 cells at concentrations that are known to inhibit ES-D3 cell differentiation. Two other embryotoxic compounds, all-trans-retinoic acid and 5-fluorouracil, did not decrease the pH{sub i} of embryonic cells at concentrations that affect ES-D3 cell differentiation, pointing at a different mechanism of embryotoxicity of these compounds. MAA and ACZ induced a concentration-dependent inhibition of ES-D3 cell differentiation, which was enhanced by amiloride, an inhibitor of the Na{sup +}/H{sup +}-antiporter, corroborating an important role of the pH{sub i} in the embryotoxic mechanism of both compounds. Together, the results presented indicate that a decrease of the pH{sub i} may be the mechanism of embryotoxicity of the alkoxyacetic acid metabolites of the glycol ethers.

Louisse, Jochem, E-mail: jochem.louisse@wur.n [Division of Toxicology, Wageningen University, Tuinlaan 5, 6703 HE Wageningen (Netherlands); TNO Quality of Life, PO Box 360, 3700 AJ Zeist (Netherlands); WUR/TNO Centre for Innovative Toxicology, PO Box 8000, 6700 EA Wageningen (Netherlands); Bai Yanqing [Division of Toxicology, Wageningen University, Tuinlaan 5, 6703 HE Wageningen (Netherlands); Verwei, Miriam; Sandt, Johannes J.M. van de [TNO Quality of Life, PO Box 360, 3700 AJ Zeist (Netherlands); WUR/TNO Centre for Innovative Toxicology, PO Box 8000, 6700 EA Wageningen (Netherlands); Blaauboer, Bas J. [Institute for Risk Assessment Sciences (IRAS), Utrecht University, PO Box 80176, 3508 TD Utrecht (Netherlands); Rietjens, Ivonne M.C.M. [Division of Toxicology, Wageningen University, Tuinlaan 5, 6703 HE Wageningen (Netherlands); WUR/TNO Centre for Innovative Toxicology, PO Box 8000, 6700 EA Wageningen (Netherlands)

2010-06-01T23:59:59.000Z

106

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

107

High-throughput sequencing of cytosine methylation in plant DNA  

E-Print Network (OSTI)

to that in flowering plants around repeat regions [15]. The green algae Chlorella sp. NC64A and Volvox carteri show very little methylation in non-CpG contexts in genes, and greatly reduced or absent non-CpG methylation at repetitive regions, with Volvox carteri... showing greatly reduced methylation in all contexts compared to other plant species [15]. Similarly, the distributions of methyla- tion in the green algae Chlamydomonas, while not wholly divergent from those in flowering plants [49], show much lower levels...

Hardcastle, Thomas J

2013-06-07T23:59:59.000Z

108

Sorghum genome sequencing by methylation filtration  

E-Print Network (OSTI)

Sorghum bicolor is a close relative of maize and is a staple crop in Africa and much of the developing world because of its superior tolerance of arid growth conditions. We have generated sequence from the hypomethylated portion of the sorghum genome by applying methylation filtration (MF) technology. The evidence suggests that 96 % of the genes have been sequence tagged, with an average coverage of 65 % across their length. Remarkably, this level of gene discovery was accomplished after generating a raw coverage of less than 300 megabases of the 735-megabase genome. MF preferentially captures exons and introns, promoters, microRNAs, and simple sequence repeats, and minimizes interspersed repeats, thus providing a robust view of the functional parts of the genome. The sorghum MF sequence set is beneficial to research on sorghum and is also a powerful resource for comparative genomics among the grasses and across the entire plant kingdom. Thousands of hypothetical gene predictions in rice and Arabidopsis are supported by the sorghum dataset, and genomic similarities highlight evolutionarily conserved regions that will lead to a better understanding of rice and Arabidopsis.

Joseph A. Bedell; Muhammad A. Budiman; Andrew Nunberg; Robert W. Citek; Dan Robbins; Joshua Jones; Elizabeth Flick; Theresa Rohlfing; Jason Fries; Kourtney Bradford; Jennifer Mcmenamy; Michael Smith; Heather Holeman; Bruce A. Roe; Graham Wiley; Ian F. Korf; Pablo D. Rabinowicz; Nathan Lakey; W. Richard Mccombie; Jeffrey A. Jeddeloh; Robert A. Martienssen

2005-01-01T23:59:59.000Z

109

Control of mercury methylation in wetlands through iron addition  

E-Print Network (OSTI)

Mason, R. P. ; Flegal, A. R. , Mercury speciation in the SanP. ; Flegal, A. R. , Decadal mercury trends in San FranciscoP. G. ; Nelson, D. C. , Mercury methylation from unexpected

Sedlak, David L; Ulrich, Patrick D

2009-01-01T23:59:59.000Z

110

Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization  

SciTech Connect

Carbon-oxygen bonds are the primary inter-monomer linkages lignin polymers in plant cell walls, and as such, catalyst development to cleave these linkages is of paramount importance to deconstruct biomass to its constituent monomers for the production of renewable fuels and chemicals. For many decades, acid catalysis has been used to depolymerize lignin. Lignin is a primary component of plant cell walls, which is connected primarily by aryl-ether linkages, and the mechanism of its deconstruction by acid is not well understood, likely due to its heterogeneous and complex nature compared to cellulose. For effective biomass conversion strategies, utilization of lignin is of significant relevance and as such understanding the mechanisms of catalytic lignin deconstruction to constituent monomers and oligomers is of keen interest. Here, we present a comprehensive experimental and theoretical study of the acid catalysis of a range of dimeric species exhibiting the b-O-4 linkage, the most common inter-monomer linkage in lignin. We demonstrate that the presence of a phenolic species dramatically increases the rate of cleavage in acid at 150 degrees C. Quantum mechanical calculations on dimers with the para-hydroxyl group demonstrate that this acid-catalyzed pathway differs from the nonphenolic dimmers. Importantly, this result implies that depolymerization of native lignin in the plant cell wall will proceed via an unzipping mechanism wherein b-O-4 linkages will be cleaved from the ends of the branched, polymer chains inwards toward the center of the polymer. To test this hypothesis further, we synthesized a homopolymer of b-O-4 with a phenolic hydroxyl group, and demonstrate that it is cleaved in acid from the end containing the phenolic hydroxyl group. This result suggests that genetic modifications to lignin biosynthesis pathways in plants that will enable lower severity processes to fractionate lignin for upgrading and for easier access to the carbohydrate fraction of the plant cell wall.

Sturgeon, M. R.; Kim, S.; Chmely, S. C.; Foust, T. D.; Beckham, G. T.

2013-01-01T23:59:59.000Z

111

The lightness of being: mass, ether, and unification of the forces  

SciTech Connect

How can an electron be both a wave and a particle? At the same time? Because it is a quantum field. That key insight seems to be underappreciated, given the awe and mysticism that permeate most nontechnical discussions of modern physics. Perhaps the root of the problem is that most popularizations of quantum mechanics and of particle physics shy away from quantized fields, the natural language for microscopic phenomena. In 'The Lightness of Being: Mass, Ether, and the Unification of Forces', Frank Wilczek confronts quantum field theory head on, demystifying not only wave-particle duality but also the origin of mass for hadrons (that is, everyday matter). Wilczek is the Herman Feshbach Professor of Physics at MIT and a co-recipient of the 2004 Nobel Prize in Physics. His research has spanned almost all aspects of theoretical particle physics, with significant forays into condensed-matter physics and dense nuclear matter (condensed quark matter, one might say). Recurring themes are the richness of quantum chromodynamics (QCD) and the alluring ideas of unification. His breadth and depth make him a sought after speaker for colloquia and public lectures. Wilczek also contributes an occasional Reference Frame column to 'Physics Today'. The material in 'The Lightness of Being' reflects the scope of the author's research. The book consists of three parts: the quantum fields of QCD (the ether that makes mass), gravitation (the ether that feels mass), and unification. Part 1, which traces notions of mass from Isaac Newton's time through theoretical and computational results of the past 40 years, is the most substantial and original; it is rich, modern, and rooted in observed phenomena. Part 2 continues in the same vein as it connects gravity, also an observed phenomenon, to QCD. Part 3 is more conventional, for a popularization of particle physics, in its focus on speculative ideas that (still) await direct experimental tests. Readers of 'Physics Today' will know that Wilczek can write with wit, grace, and an uncanny facility for using lightweight language to express heavy-duty ideas. They will find much of that kind of writing in 'The Lightness of Being'. Wilczek addresses subtle ideas with vim and vigor. He avoids some of the jargon of quantum field theory; for example, he calls the vertex in a Feynman diagram a hub. In more ambitious terminology, he refers to space-filling, everfluctuating quantum fields--be they electrons, quarks, gluons, or gravity--as 'the Grid'. The term is supposed to be short and familiar, evoking the ubiquitous electric grid (and soon-to-beubiquitous computing grid). It also, for the expert, cleverly alludes to lattice gauge theory. Indeed, after vividly explaining how the dynamics of QCD and the constraints of Heisenberg uncertainty conspire to create mass from the Grid, Wilczek emphasizes that the picture is backed by lattice QCD computations of 'heroic' proportions. Unfortunately, too much of 'The Lightness' is laden with clunky affectation: silly names (a pulsed electron accelerator is called the 'ultrastroboscopic nanomicroscope'), sophomoric jokes ('hadron' is 'not a typo'), references to pop culture (Wilczek might have called quantum fields 'the Matrix, but the sequels tarnished that candidate'), and many pointless footnotes. In a public lecture the audience may guffaw at such jokes, but on the printed page they fall flat. Wilczek explains physics so well that the inappropriate humor is the biggest unexplained puzzle of the book. It is fine to be silly, even crude, as long as the reader's path to understanding is made easier. A joke can inform with an unexpected perspective or simply give the mind a pause to refresh. Some of the humor achieves such aims, but too many gags impede the pace of the otherwise fine exposition. Three appendices, a glossary, and a set of endnotes are crisp and sober. They are excellent. 'The Lightness of Being' is not unbearable, but it is weighed down with too much clutter to rank as a masterpiece. It's a pity: Wilczek's best writing--some of it in this book--is l

Kronfeld, Andreas S.

2009-03-01T23:59:59.000Z

112

The comparison of sulfide CoMo/?-Al2O3 and NiMo/?-Al2O3 catalysts in methyl palmitate and methyl heptanoate hydrodeoxygenation  

Science Conference Proceedings (OSTI)

The hydrodeoxygenation of methyl palmitate and methyl heptanoate as the model compounds of bio-oil in the presence of sulfided CoMo/?-Al2O3 and NiMo/?-Al2O3 catalysts was studied at the temperature ... Keywords: CoMoS/?-Al2O3, NiMoS/?-Al2O3, biofuels, hydrodeoxygenation, methyl heptanoate, methyl palmitate

Irina V. Deliy; Evgenia N. Vlasova; Alexey L. Nuzhdin; Galina A. Bukhtiyarova

2011-12-01T23:59:59.000Z

113

Synthesis of Cyclic Aza-Ether Compounds and Studies of Their Use as Anion Receptors in Non-Aqueous Lithium Halide Salt Solutions  

DOE Green Energy (OSTI)

A series of new anion receptors, based on cyclic aza-ether compounds, have been synthesized. In all of these cyclic aza-ether compounds, the electron-withdrawing group CF{sub 3}SO{sub 2} was attached to each of the nitrogen atoms. When used as additives, all of them can significantly increase the ionic conductivity of lithium halide salts in THF solutions. This is due to the complexation between these compounds and halide anions. Ionic conductivity studies show that the complexation behavior is related to both the ring structure of the cyclic compounds and the characteristics of the halide anions. X-ray diffraction data show that the diffraction patterns of the complex crystals are different from the pure cyclic aza-ether compounds. New Bragg peaks representing a large d-spacing ({approx}15 {angstrom}) are observed for the complex crystals which provides a clear evidence for complexation.

Lee, H. S.; Sun, X.; Yang, X. Q.; McBreen, J.; Callahan, J. H.; Choi, L. S.

1999-11-01T23:59:59.000Z

114

Nested methylation-specific polymerase chain reaction cancer detection method  

DOE Patents (OSTI)

A molecular marker-based method for monitoring and detecting cancer in humans. Aberrant methylation of gene promoters is a marker for cancer risk in humans. A two-stage, or "nested" polymerase chain reaction method is disclosed for detecting methylated DNA sequences at sufficiently high levels of sensitivity to permit cancer screening in biological fluid samples, such as sputum, obtained non-invasively. The method is for detecting the aberrant methylation of the p16 gene, O 6-methylguanine-DNA methyltransferase gene, Death-associated protein kinase gene, RAS-associated family 1 gene, or other gene promoters. The method offers a potentially powerful approach to population-based screening for the detection of lung and other cancers.

Belinsky, Steven A. (Albuquerque, NM); Palmisano, William A. (Edgewood, NM)

2007-05-08T23:59:59.000Z

115

Methods for detection of methyl-CpG dinucleotides  

DOE Patents (OSTI)

The invention provides methods for enriching methyl-CpG sequences from a DNA sample. The method makes use of conversion of cytosine residues to uracil under conditions in which methyl-cytosine residues are preserved. Additional methods of the invention enable to preservation of the context of me-CpG dinucleotides. The invention also provides a recombinant, full length and substantially pure McrA protein (rMcrA) for binding and isolation of DNA fragments containing the sequence 5'-C.sup.MeCpGG-3'. Methods for making and using the rMcrA protein, and derivatives thereof are provided.

Dunn, John J.

2012-09-11T23:59:59.000Z

116

Methods for detection of methyl-CpG dinucleotides  

DOE Patents (OSTI)

The invention provides methods for enriching methyl-CpG sequences from a DNA sample. The method makes use of conversion of cytosine residues to uracil under conditions in which methyl-cytosine residues are preserved. Additional methods of the invention enable to preservation of the context of me-CpG dinucleotides. The invention also provides a recombinant, full length and substantially pure McrA protein (rMcrA) for binding and isolation of DNA fragments containing the sequence 5'-C.sup.MeCpGG-3'. Methods for making and using the rMcrA protein, and derivatives thereof are provided.

Dunn, John J.

2013-01-29T23:59:59.000Z

117

Contribution of Iron-Reducing Bacteria to Mercury Methylation in Marine Sediments  

E-Print Network (OSTI)

AND R. P. MASON. 2006. Mercury methylation by dissimilatoryPRUCHA, AND G. MIERLE. 1991. Mercury methylation by sulfate-AND J. M. SIEBURTH. 1993. Mercury biogeochemical cycling in

Fleming, Emily J.; Nelson, D C

2006-01-01T23:59:59.000Z

118

The Effect of Time dealumination and Solvent Concentration in Synthesis of Zeolite Catalyst and Catalytic Test for DiEthyl Ether Production Process  

Science Conference Proceedings (OSTI)

Ethanol is an alternative energy, but its has three distinct disadvantages as a transportation fuel. Its availability is currently limited, and it has a lower volumetric heating value and a lower Reid vapour pressure (RVP) than gasoline. This paper focuses for this disadvantages and to solve this problem can do with converts ethanol to DiEthyl Ether product. This research produced DiEthyl Ether by ethanol dehydration process with zeolite as catalyst. The catalyst synthesis from natural material from District Gunung Kidul, Indonesia. The catalyst produced with dealumination, neutralization, drying and calcination processes. The zeolite catalyst was analysed of Si/Al, X-ray Diffraction and specific surface area. The catalyst product then used for ethanol dehydration to produce DiEthyl Ether. The results shown the biggest surface area is 184,52 m{sup 2}/gram at catalyst production at 10 hours for time dealumination. The crystallite of catalyst product is similar like shown at diffractogram of XRD analysis. The ratio Si/Al biggest is 313.7 that obtaining at catalyst production with 7 hours for time dealumination. The catalytic test use fixed bed reactor with 1 inci diameter and ethanol fermentation both as feed. The operation condition is 150 deg. C at temperature and atmosphere pressure. The compounds product in liquid phase are diethyl ether, methanol and water.

Widayat [Department of Chemical Engineering, Faculty of Engineering Diponegoro University, Department of Chemical Engineering, Faculty of Industry Technology Institute of Technology Sepuluh Nopember Surabaya Indonesia, Kampus Sukolilo Surabaya Indonesia (Indonesia); Roesyadi, A.; Rachimoellah, M. [Department of Chemical Engineering, Faculty of Industry Technology Institute of Technology Sepuluh Nopember Surabaya Indonesia, Kampus Sukolilo Surabaya Indonesia (Indonesia)

2009-09-14T23:59:59.000Z

119

OUTLOOK: Specialty crops and methyl bromide alternatives: Taking stock after 7 years  

E-Print Network (OSTI)

finding alternatives to Outlook Specialty crops and methylNumber 3 Steve Fennimore Outlook Non-fumigant approaches to

Browne, Greg T

2013-01-01T23:59:59.000Z

120

Network-based classification of recurrent endometrial cancers using high-throughput DNA methylation data  

Science Conference Proceedings (OSTI)

DNA methylation, a well-studied mechanism of epigenetic regulation, plays important roles in cancer. Increased levels of global DNA methylation is observed in primary solid tumors including endometrial carcinomas and is generally associated with silencing ... Keywords: DNA methylation, Steiner tree, cancer recurrence, classification, protein-protein interaction network, random walk

Jianhua Ruan; Md. Jamiul Jahid; Fei Gu; Chengwei Lei; Yi-Wen Huang; Ya-Ting Hsu; David G. Mutch; Chun-Liang Chen; Nameer B. Kirma; Tim H. Huang

2012-10-01T23:59:59.000Z

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS  

DOE Green Energy (OSTI)

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. The research team has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, we are currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter (January-March/99), in-situ formaldehyde generation and condensation with methyl propionate were tested over various catalysts and reaction conditions. The patent application is in preparation and the results are retained for future reports.

Makarand R. Gogate; James J. Spivey; Joseph R. Zoeller; Richard D. Colberg; Gerald N. Choi; Samuel S. Tam

1999-04-21T23:59:59.000Z

122

Global methylation responses to low dose radiation exposure  

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

methylation responses to low dose radiation exposure methylation responses to low dose radiation exposure Pamela J Sykes, Michelle R Newman, Benjamin J Blyth and Rebecca J Ormsby Haematology and Genetic Pathology, Flinders University and Medical Centre, Flinders Centre for Cancer Prevention and Control, Bedford Park, Adelaide, South Australia 5042 Australia. (pam.sykes@flinders.edu.au). Our goal is to study the mechanisms involved in biological responses to low doses of radiation in vivo in the dose range that is relevant to population and occupational exposures. At high radiation doses, DNA double-strand breaks are considered the critical lesion underlying the initiation of radiation-induced carcinogenesis. However, at the very low radiation doses relevant for the general public, the induction of DNA double-strand breaks

123

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

124

Electrochemical Investigation of Li–Al Anodes in Oligo(ethylene glycol) Dimethyl Ether/LiPF6  

DOE Green Energy (OSTI)

1 M LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 500 g mol{sup -1} was investigated as a new electrolyte (OEGDME500, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of 0.48 x 10{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 10{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 30.7 kJ mol{sup -1}. OEGDME500, 1 M LiPF{sub 6} allows operating temperature above 100 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 280 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

Zhou, Y.N.; Yang, X.; Wang, X.J.; Lee, H.S.; Nam, K.W.; Haas, O.

2010-11-01T23:59:59.000Z

125

Electrochemical Investigation of Li-Al Anodes in Oligo (ethylene glycol) Dimethyl ether/LiPF6  

DOE Green Energy (OSTI)

LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 5 g mol{sup -1} was investigated as a new electrolyte (OEGDME5, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of .48 x 1{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 1{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 3.7 kJ mol{sup -1}. OEGDME5, 1 M LiPF{sub 6} allows operating temperature above 1 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 28 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

Y Zhou; X Wang; H Lee; K Nam; X Yang; O Haas

2011-12-31T23:59:59.000Z

126

Heat Capacity Uncertainty Calculation for the Eutectic Mixture of Biphenyl/Diphenyl Ether Used as Heat Transfer Fluid: Preprint  

DOE Green Energy (OSTI)

The main objective of this study was to calculate the uncertainty at 95% confidence for the experimental values of heat capacity of the eutectic mixture of biphenyl/diphenyl ether (Therminol VP-1) determined from 300 to 370 degrees C. Twenty-five samples were evaluated using differential scanning calorimetry (DSC) to obtain the sample heat flow as a function of temperature. The ASTM E-1269-05 standard was used to determine the heat capacity using DSC evaluations. High-pressure crucibles were employed to contain the sample in the liquid state without vaporizing. Sample handling has a significant impact on the random uncertainty. It was determined that the fluid is difficult to handle, and a high variability of the data was produced. The heat capacity of Therminol VP-1 between 300 and 370 degrees C was measured to be equal to 0.0025T+0.8672 with an uncertainty of +/- 0.074 J/g.K (3.09%) at 95% confidence with T (temperature) in Kelvin.

Gomez, J. C.; Glatzmaier, G. C.; Mehos, M.

2012-09-01T23:59:59.000Z

127

"Seeing" Mercury Methylation in Progress  

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

Mercury in the environment can easily reach toxic levels. In a process called methylation, Hg is transformed into a form that can be accumulated in the muscle and fatty tissue of fish. Accumulated levels of methylmercury become higher as the fish grow, and levels are magnified up the food web as larger fish eat smaller fish, a process called biomagnification. As a result, mercury concentrations in fish can be millions of times higher than in surrounding waters [1]. Fish advisories have been set to limit consumption of certain fish higher up on the food web, especially for pregnant women and small children (see Figure 1). Mercury in the environment can easily reach toxic levels. In a process called methylation, Hg is transformed into a form that can be accumulated in the muscle and fatty tissue of fish. Accumulated levels of methylmercury become higher as the fish grow, and levels are magnified up the food web as larger fish eat smaller fish, a process called biomagnification. As a result, mercury concentrations in fish can be millions of times higher than in surrounding waters [1]. Fish advisories have been set to limit consumption of certain fish higher up on the food web, especially for pregnant women and small children (see Figure 1). figure 1 Figure 1. Mercury health risks Health advisory from the CALFED Science Program to limit consumption of fish, in order to avoid excessive accumulation of Hg. Methylated Hg is biomagnified up the food chain, attaining high levels in some types of sportfish. http://science.calwater.ca.gov/images/scinews_hg_da_lg.jpg

128

Nonradiometric and radiometric testing of radioiodine sorbents using methyl iodide  

SciTech Connect

A nonradiometric test of adsorbents and adsorbers with normal methyl iodide (CH/sub 3//sup 127/I) is desirable. Use of methyl radioiodide (CH/sub 3//sup 131/I) requires special precautions and facilities and results in bed contamination. However, first it must be established to what extent the removal of CH/sub 3//sup 127/I by adsorbents is indicative of the removal of CH/sub 3//sup 131/I. An experimental apparatus was built and used to simultaneously measure the penetrations of CH/sub 3/I molecules and the radioisotope in CH/sub 3//sup 131/I through charcoal absorbent beds. Gas chromatography with electron capture detection was used to measure CH/sub 3/I. Radioiodine was measured using charcoal traps within NaI scintillation well crystals. Real time (5-min interval) radioiodine measurement provided immediate penetration results directly comparable to the real time penetrations of methyl iodide. These penetrations were compared for typical charcoal adsorbents with these impregnants: (a) 5% KI/sub 3/, (b) 5% KI/sub 3/ + 2% TEDA, (c) 5% TEDA, and (d) metal salts (Whetlerite). Differences between CH/sub 3/I and CH/sub 3//sup 131/I penetrations observed for the two iodized charcoals were attributed to isotope exchange reactions. Equivalent penetrations were observed for non-iodized adsorbents and for iodized ones at initial time. First order rates were confirmed for reactions with TEDA and for isotope exchange. This was one more confirmation of the lack of a challenge concentration effect on efficiencies at low test bed loadings. In addition to other removal mechanisms, reversible physical adsorption was observed with all charcoals.

Wood, G.O.; Valdez, F.O.

1980-01-01T23:59:59.000Z

129

Durability of Poly (Methyl Methacrylate) Lenses Used in Concentrating Photovoltaics (Presentation)  

DOE Green Energy (OSTI)

This presentation reports the findings of NREL's screen test to characterize the durability of poly (methyl methacrylate) lenses used in concentrated photovoltaics.

Miller, D.; Gedvilas, L.; To, B.; Kennedy, C.; Kurtz, S.

2010-10-21T23:59:59.000Z

130

OUTLOOK: Specialty crops and methyl bromide alternatives: Taking stock after 7 years  

E-Print Network (OSTI)

to Outlook Specialty crops and methyl bromide alternatives:Research Plant Pathologist, Crops Pathology and GeneticsS Jack Kelly Clark pecialty crop farms and nurseries in

Browne, Greg T

2013-01-01T23:59:59.000Z

131

DISCOVERY OF METHYL ACETATE AND GAUCHE ETHYL FORMATE IN ORION  

SciTech Connect

We report on the discovery of methyl acetate, CH{sub 3}COOCH{sub 3}, through the detection of a large number of rotational lines from each one of the spin states of the molecule: AA species (A{sub 1} or A{sub 2}), EA species (E{sub 1}), AE species (E{sub 2}), and EE species (E{sub 3} or E{sub 4}). We also report, for the first time in space, the detection of the gauche conformer of ethyl formate, CH{sub 3}CH{sub 2}OCOH, in the same source. The trans conformer is also detected for the first time outside the Galactic center source SgrB2. From the derived velocity of the emission of methyl acetate, we conclude that it arises mainly from the compact ridge region with a total column density of (4.2 {+-} 0.5) Multiplication-Sign 10{sup 15} cm{sup -2}. The derived rotational temperature is 150 K. The column density for each conformer of ethyl formate, trans and gauche, is (4.5 {+-} 1.0) Multiplication-Sign 10{sup 14} cm{sup -2}. Their abundance ratio indicates a kinetic temperature of 135 K for the emitting gas and suggests that gas-phase reactions could participate efficiently in the formation of both conformers in addition to cold ice mantle reactions on the surface of dust grains.

Tercero, B.; Cernicharo, J.; Lopez, A.; Caro, G. M. Munoz [Department of Astrophysics, CAB, INTA-CSIC, Crta Torrejon-Ajalvir, km. 4, E-28850 Torrejon de Ardoz, Madrid (Spain); Kleiner, I.; Nguyen, H. V. L., E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: lopezja@cab.inta-csic.es, E-mail: munozcg@cab.inta-csic.es, E-mail: isabelle.kleiner@lisa.u-pec.fr, E-mail: nguyen@pc.rwth-aachen.de [Laboratoire Interuniversitaire des Systemes Atmospheriques, CNRS/IPSL UMR7583 et Universites Paris Diderot et Paris Est, 61 av. General de Gaulle, F-94010 Creteil (France)

2013-06-10T23:59:59.000Z

132

Auto-ignition during instationary jet evolution of dimethyl ether (DME) in a high-pressure atmosphere  

Science Conference Proceedings (OSTI)

The auto-ignition process during transient injection of gaseous dimethyl ether (DME) in a constant high-pressure atmosphere is studied experimentally by laser-optical methods and compared with numerical calculations. With different non-intrusive measurement techniques jet properties and auto-ignition are investigated at high temporal and spatial resolution. The open jet penetrates a constant pressure oxidative atmosphere of up to 4 MPa. During the transient evolution, the fuel jet entrains air at up to 720 K. The subsequent auto-ignition of the ignitable part of the jet occurs simultaneously over a wide spatial extension. The ignition delay times are not affected by variation of the nozzle exit velocity. Thus, the low-temperature oxidation is slow compared with the shorter time scales of mixing, so that chemical kinetics is dominating the process. The typical two-stage ignition is resolved optically with high-speed shadowgraphy at a sampling rate of 10 kHz. The 2D fields of jet velocity and transient mixture fraction are measured phase-coupled with Particle Image Velocimetry (PIV) and Tracer Laser Induced Fluorescence (LIF) during the time-frame of ignition. The instationary Probability Density Functions (PDF) of mixture fraction are described very well by Beta functions within the complete area of the open jet. Additional 1D flamelet simulations of the auto-ignition process are computed with a detailed reaction mechanism for DME [S. Fischer, F. Dryer, H. Curran, Int. J. Chem. Kinet. 32 (12) (2000) 713-740; H. Curran, S. Fischer, F. Dryer, Int. J. Chem. Kinet. 32 (12) (2000) 741-759]. Calculated ignition delay times are in very good agreement with the measured mean ignition delay times of 3 ms. Supplemental flamelet simulations address the influence of DME and air temperature, pressure and strain. Underneath a critical strain rate the air temperature is identified to be the most sensitive factor on ignition delay time. (author)

Fast, G.; Kuhn, D.; Class, A.G. [Institut fuer Kern- und Energietechnik, Forschungszentrum Karlsruhe GmbH, Weberstrasse 5, D-76133 Karlsruhe (Germany); Maas, U. [Institut fuer Technische Thermodynamik, Universitat Karlsruhe (TH), Kaiserstrasse 12, D-76128 Karlsruhe (Germany)

2009-01-15T23:59:59.000Z

133

Chemotactic antifouling properties of methyl caproate: its implication for ship hull coatings  

Science Conference Proceedings (OSTI)

Antifouling (AF) activity of methyl caproate was evaluated by using both laboratory assays and field investigations. It showed strong repellent activity against common fouling organisms (marine bacteria (Shewanella oneidensis, Roseobacter gallaeciensis ... Keywords: Ulva pertusa, antifouling, chemotaxis, fouling resistance, hybrid CDP, marine bacteria, methyl caproate, zinc pyrithione

Haridatta Bhatta Rai; Sang Mok Jung; M. Sidharthan; Ji Hyun Lee; Chi Young Lim; Young-Kyu Kang; Chang Yeon; N. S. Park; H. W. Shin

2006-08-01T23:59:59.000Z

134

NETL: Gasifipedia  

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

chemical feedstock for production of a range of important industrial chemicals, primarily acetic acid, formaldehyde, methyl methacrylate and methyl tertiary-butyl ether (MTBE)....

135

US Food and Drug Administration survey of methyl mercury in canned tuna  

SciTech Connect

Methyl mercury was determined by the US Food and Drug Administration (FDA) in 220 samples of canned tuna collected in 1991. Samples were chosen to represent different styles, colors, and packs as available. Emphasis was placed on water-packed tuna, small can size, and the highest-volume brand names. The average methyl mercury (expressed as Hg) found for the 220 samples was 0.17 ppm; the range was <0.10-0.75 ppm. Statistically, a significantly higher level of methyl mercury was found in solid white and chunk tuna. Methyl mercury level was not related to can size. None of the 220 samples had methyl mercury levels that exceeded the 1 ppm FDA action level. 11 refs., 1 tab.

Yess, J. [Food and Drug Administration, Washington, DC (United States)

1993-01-01T23:59:59.000Z

136

High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes  

DOE Green Energy (OSTI)

Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

2011-03-01T23:59:59.000Z

137

Altered cardiovascular reactivity and osmoregulation during hyperosmotic stress in adult rats developmentally exposed to polybrominated diphenyl ethers (PBDEs)  

Science Conference Proceedings (OSTI)

Polybrominated diphenyl ethers (PBDEs) and the structurally similar chemicals polychlorinated biphenyls (PCBs) disrupt the function of multiple endocrine systems. PCBs and PBDEs disrupt the secretion of vasopressin (VP) from the hypothalamus during osmotic activation. Since the peripheral and central vasopressinergic axes are critical for osmotic and cardiovascular regulation, we examined whether perinatal PBDE exposure could impact these functions during physiological activation. Rats were perinatally dosed with a commercial PBDE mixture, DE-71. Dams were given 0 (corn oil control), 1.7 (low dose) or 30.6 mg/kg/day (high dose) in corn oil from gestational day (GD) 6 through postnatal day (PND) 21 by oral gavage. In the male offspring exposed to high dose PBDE plasma thyroxine and triiodothyronine levels were reduced at PND 21 and recovered to control levels by PND 60 when thyroid stimulating hormone levels were elevated. At 14-18 months of age, cardiovascular responses were measured in four groups of rats: Normal (Oil, normosmotic condition), Hyper (Oil, hyperosmotic stress), Hyper PBDE low (1.7 mg/kg/day DE-71 perinatally, hyperosmotic stress), and Hyper PBDE high (30.6 mg/kg/day DE-71 perinatally, hyperosmotic stress). Systolic blood pressure (BP), diastolic BP, and heart rate (HR) were determined using tail cuff sphygmomanometry and normalized to pretreatment values (baseline) measured under basal conditions. Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. Hyper PBDE low and high dose rats showed 36.1 and 64.7% greater systolic BP responses at 3 h post hyperosmotic injection relative to pretreatment baseline, respectively. No treatment effects were measured for diastolic BP and HR. Hyper and Hyper PBDE rats showed increased mean plasma osmolality values by 45 min after injection relative to normosmotic controls. In contrast to Hyper rats, Hyper PBDE (high) rats showed a further increase in mean plasma osmolality at 3 h (358.3 {+-} 12.4 mOsm/L) relative to 45 min post hyperosmotic injection (325.1 {+-} 11.4 mOsm/L). Impaired osmoregulation in PBDE-treated animals could not be attributed to decreased levels of plasma vasopressin. Our findings suggest that developmental exposure to PBDEs may disrupt cardiovascular reactivity and osmoregulatory responses to physiological activation in late adulthood. - Highlights: > We examined whether PBDE exposure could impact osmotic and cardiovascular regulation. > Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. > PBDEs may disrupt cardiovascular and osmoregulatory responses to physiological activation.

Shah, Ashini [Department of Cell Biology and Neuroscience, University of California, Riverside, 92521 (United States); Coburn, Cary G. [Environmental Toxicology Graduate Program, University of California, Riverside, 92521 (United States); Watson-Siriboe, Abena; Whitley, Rebecca; Shahidzadeh, Anoush; Gillard, Elizabeth R.; Nichol, Robert [Department of Cell Biology and Neuroscience, University of California, Riverside, 92521 (United States); Leon-Olea, Martha [Neuromorfologia Funcional, Direccion de Investigaciones en Neurociencias, Instituto Nacional de Psiquiatria Ramon de la Fuente Muniz, Mexico City (Mexico); Gaertner, Mark [Department of Cell Biology and Neuroscience, University of California, Riverside, 92521 (United States); Kodavanti, Prasada Rao S. [Neurotoxicology Branch, NHEERL/ORD, U.S. Environmental Protection Agency, Research Triangle Park, NC (United States); Curras-Collazo, Margarita C., E-mail: margarita.curras@ucr.edu [Environmental Toxicology Graduate Program, University of California, Riverside, 92521 (United States); Department of Cell Biology and Neuroscience, University of California, Riverside, 92521 (United States)

2011-10-15T23:59:59.000Z

138

Synthesis of Methanol and Dimethyl Ether from Syngas over Pd/ZnO/Al2O3 Catalysts  

SciTech Connect

A Pd/ZnO/Al2O3 catalyst was developed for the synthesis of methanol and dimethyl ether (DME) from syngas. Studied were temperatures of operation ranging from 250°C to 380°C. High temperatures (e.g. 380°C) are necessary when combining methanol and DME synthesis with a methanol to gasoline (MTG) process in a single reactor bed. A commercial Cu/ZnO/Al2O3 catalyst, utilized industrially for the synthesis of methanol at 220-280°C, suffers from a rapid deactivation when the reaction is conducted at high temperature (>320°C). On the contrary, a Pd/ZnO/Al2O3 catalyst was found to be highly stable for methanol and DME synthesis at 380°C. The Pd/ZnO/Al2O3 catalyst was thus further investigated for methanol and DME synthesis at P=34-69 bars, T= 250-380°C, GHSV= 5 000-18 000 h-1, and molar feeds H2/CO= 1, 2, and 3. Selectivity to DME increased with decreasing operating temperature, and increasing operating pressure. Increased GHSV’s and H2/CO syngas feed ratios also enhanced DME selectivity. Undesirable CH4 formation was observed, however, can be minimized through choice of process conditions and by catalyst design. By studying the effect of the Pd loading and the Pd:Zn molar ratio the formulation of the Pd/ZnO/Al2O3 catalyst was optimized. A catalyst with 5% Pd and a Pd:Zn molar ratio of 0.25:1 has been identified as the preferred catalyst. Results indicate that PdZn particles are more active than Pdº particles for the synthesis of methanol and less active for CH4 formation. A correlation between DME selectivity and the concentration of acid sites of the catalysts has been established. Hence, two types of sites are required for the direct conversion of syngas to DME: 1) PdZn particles are active for the synthesis of methanol from syngas, and 2) acid sites which are active for the conversion of methanol to DME. Additionally, CO2 formation was problematic as PdZn was found to be active for the water-gas-shift (WGS) reaction, under all the conditions evaluated.

Lebarbier, Vanessa MC; Dagle, Robert A.; Kovarik, Libor; Lizarazo Adarme, Jair A.; King, David L.; Palo, Daniel R.

2012-10-01T23:59:59.000Z

139

Anti-inflammatory and antifibrotic effects of methyl palmitate  

Science Conference Proceedings (OSTI)

Methyl palmitate (MP) has been shown earlier to inhibit Kupffer cells and rat peritoneal macrophages. To evaluate the potential of MP to inhibit the activation of other macrophages, RAW cells (macrophages of alveolar origin) were treated with varying concentrations of MP (0.25, 0.5, 1 mM). Assessment of cytotoxicity using MTT assay revealed that 0.25 and 0.5 mM are not toxic to RAW cells. MP was able to inhibit the phagocytic function of RAW cells. Treatment of cells with MP 24 hours prior to LPS stimulation significantly decreased nitric oxide release and altered the pattern of cytokines release; there was a significant decrease in TNF-{alpha} and a significant increase in IL-10 compared to the controls. However, there is a non-significant change in IL-6 level. Furthermore, phosphorylation of inhibitory kappa B (I{kappa}B{alpha}) protein was significantly decreased in RAW cells treated with 0.5 mM MP after LPS stimulation. Based upon the in-vitro results, it was examined whether MP treatment will be effective in preventing bleomycin-induced lung inflammation and fibrosis in-vivo. Bleomycin given by itself caused destruction of the lung architecture characterized by pulmonary fibrosis with collapse of air alveoli and emphysematous. Bleomycin induced a significant increase in hydroxyproline level and activated NF-{kappa}B, p65 expression in the lung. MP co-treatment significantly ameliorated bleomycin effects. These results suggest that MP has a potential of inhibiting macrophages in general. The present study demonstrated for the first time that MP has anti-inflammatory and antifibrotic effect that could be through NF-kB inhibition. Thus MP like molecule could be a promising anti-inflammatory and antifibrotic drug. - Research Highlights: >Methyl palmitate is a universal macrophage inhibitor. >It could be a promising nucleus of anti-inflammatory and antifibrotic drugs. >The underlying mechanism of these effects could be through NF-kB inhibition.

El-Demerdash, Ebtehal, E-mail: ebtehal_dm@yahoo.com

2011-08-01T23:59:59.000Z

140

Novel syngas-based process for methyl methacrylate  

SciTech Connect

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel are developing a novel process for synthesis of methyl methacrylate (MMA) from coal-derived syngas, under a contract from the U.S. Department of Energy, Pittsburgh Energy Technology Center. This three-step process consists of synthesis of a propionate, its condensation with formaldehyde, and esterification of resulting methacrylic acid (MAA) with methanol to produce MMA. Eastman has focused on the research on propionate synthesis step. The resultant Mo catalysts work efficiently at much less severe conditions (170{degrees}C and 30 atm) than the conventional Ni catalysts (270{degrees}C and 180 atm). Bechtel has performed an extensive cost analysis, which shows that Eastman`s propionate synthesis process is competitive with other technologies to produce the anhydride. In the second step, RTI and Eastman have developed active and stable V-SI-P and Ta metal oxide catalysts for condensation reactions of propionates with formaldehyde. RTI has demonstrated a novel correlation among the catalyst acid-base properties, condensation reaction yield, and long-term catalyst activity. Current research focuses on enhancing the condensation reaction yields, acid-base properties, in situ condensation in a high- temperature, high-pressure (HTHP) slurry reactor, and alternate formaldehyde feedstocks. Based on Eastman and RTI laboratory reactor operating data, a cost estimate is also being developed for the integrated process.

Gogate, M.R.; Spivey, J.J. [Research Triangle Institute, Research Triangle Park, NC (United States); Zoeller, J.R. [Eastman Chemical Co., Kingsport, TN (United States); Choi, G.N. [Bechtel, Inc., San Francisco, CA (United States); Tam, S.S. [Bechtel, Inc., Houston, TX (United States); Tischer, R.E. [USDOE Pittsburgh Energy Technology Center, PA (United States); Srivastava, R.D. [Burns and Roe Services Corp., Pittsburgh, PA (United States)

1996-12-31T23:59:59.000Z

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

Synthesis of Methyl Methacrylate from Coal-Derived Syngas  

Science Conference Proceedings (OSTI)

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last month, RTI has finalized the design of a fixed-bed microreactor system for DME partial oxidation reactions. RTI incorporated some design changes to the feed blending system, so as to be able to blend varying proportions of DME and oxygen. RTI has also examined the flammability limits of DME-air mixtures. Since the lower flammability limit of DME in air is 3.6 volume percent, RTI will use a nominal feed composition of 1.6 percent in air, which is less than half the lower explosion limit for DME-air mixtures. This nominal feed composition is thus considered operationally safe, for DME partial oxidation reactions. RTI is also currently developing an analytical system for DME partial oxidation reaction system.

Gerald N. Choi; James J. Spivey; Jospeh R. Zoeller; Makarand R. Gogate; Richard D. Colberg; Samuel S. Tam

1998-04-17T23:59:59.000Z

142

Dispersion Morphology of Poly(methyl acrylate)/Silica Nanocomposites  

SciTech Connect

Nearly monodisperse poly(methyl acrylate) (PMA) and spherical SiO{sub 2} nanoparticles (NP, d = 14 {+-} 4 nm) were co-cast from 2-butanone, a mutually good solvent and a displacer of adsorbed PMA from silica. The effects of NP content and post-casting sample history on the dispersion morphology were found by small-angle X-ray scattering supplemented by transmission electron microscopy. Analysis of the X-ray results show that cast and thermally annealed samples exhibited a nearly random particle dispersion. That the same samples, prior to annealing, were not well-dispersed is indicative of thermodynamic miscibility during thermal annealing over the range of NP loadings studied. A simple mean-field thermodynamic model suggests that miscibility results primarily from favorable polymer segment/NP surface interactions. The model also indicates, and experiments confirm, that subsequent exposure of the composites to the likely displacer ethyl acetate results in entropic destabilization and demixing into NP-rich and NP-lean phases.

D Janes; J Moll; S Harton; C Durning

2011-12-31T23:59:59.000Z

143

A High-Volume Cryosampler and Sample Purification System for Bromine Isotope Studies of Methyl Bromide  

Science Conference Proceedings (OSTI)

A system was developed for collecting from the ambient atmosphere the methyl halides CH3Cl and CH3Br in quantities sufficient for chlorine and bromine isotope analysis. The construction and operation of the novel cryogenic collection system (...

Brett F. Thornton; Axel Horst; Daniel Carrizo; Henry Holmstrand; Per Andersson; Patrick M. Crill; Örjan Gustafsson

144

Halogenated 1'-methyl-1,2'-bipyrroles (MBPs) in the Norwestern Atlantic  

E-Print Network (OSTI)

Halogenated 1'-methyl-1,2'-bipyrroles (MBPs) are a distinctive class of marine organic compounds. They are naturally produced, they have a unique carbon structure, they are highly halogenated, and they bioaccumulate in ...

Pangallo, Kristin C

2009-01-01T23:59:59.000Z

145

Thermomechanical properties of polyhedral oligomeric silsequioxane- poly(methyl methacrylate) nanocomposites  

E-Print Network (OSTI)

Poly(methyl methacrylate)s (PMMA) containing polyhedral oligomeric silsesquioxane (POSS) nanoparticles (d [approx.] 1.5 nm) were subjected to heological, mechanical, and morphological tests to determine the effects that ...

Kopesky, Edward Thomas

2005-01-01T23:59:59.000Z

146

Dissolution and swelling of bituminous coal in n-methyl-pyrrolidone.  

E-Print Network (OSTI)

??Research detailed herein examined the extraction and swelling of a bituminous coal in the super solvent n-methyl-pyrrolidone. Correlations were developed to describe the extraction and… (more)

Stoffa, Joseph M.

2006-01-01T23:59:59.000Z

147

A unique regulatory phase of DNA methylation in the early mammalian embryo  

E-Print Network (OSTI)

DNA methylation is highly dynamic during mammalian embryogenesis. It is broadly accepted that the paternal genome is actively depleted of 5-methylcytosine at fertilization, followed by passive loss that reaches a minimum ...

Chan, Michelle M.

148

A High-Volume Cryosampler and Sample Purification System for Bromine Isotope Studies of Methyl Bromide  

Science Conference Proceedings (OSTI)

A system was developed for collecting from the ambient atmosphere the methyl halides CH3Cl and CH3Br in quantities sufficient for chlorine and bromine isotope analysis. The construction and operation of the novel cryogenic collection system (...

Brett F. Thornton; Axel Horst; Daniel Carrizo; Henry Holmstrand; Per Andersson; Patrick M. Crill; Örjan Gustafsson

2013-09-01T23:59:59.000Z

149

Experimental and Kinetic Modeling Study of Extinction and Ignition of Methyl Decanoate in Laminar Nonpremixed Flows  

DOE Green Energy (OSTI)

Methyl decanoate is a large methyl ester that can be used as a surrogate for biodiesel. In this experimental and computational study, the combustion of methyl decanoate is investigated in nonpremixed, nonuniform flows. Experiments are performed employing the counterflow configuration with a fuel stream made up of vaporized methyl decanoate and nitrogen, and an oxidizer stream of air. The mass fraction of fuel in the fuel stream is measured as a function of the strain rate at extinction, and critical conditions of ignition are measured in terms of the temperature of the oxidizer stream as a function of the strain rate. It is not possible to use a fully detailed mechanism for methyl decanoate to simulate the counterflow flames because the number of species and reactions is too large to employ with current flame codes and computer resources. Therefore a skeletal mechanism was deduced from a detailed mechanism of 8555 elementary reactions and 3036 species using 'directed relation graph' method. This skeletal mechanism has only 713 elementary reactions and 125 species. Critical conditions of ignition were calculated using this skeletal mechanism and are found to agree well with experimental data. The predicted strain rate at extinction is found to be lower than the measurements. In general, the methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

Seshadri, K; Lu, T; Herbinet, O; Humer, S; Niemann, U; Pitz, W J; Law, C K

2008-01-09T23:59:59.000Z

150

Synthesis of Methyl Methacrylate From Coal-Derived Syngas  

SciTech Connect

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter(April-June, 1998), RTI has modified the reactor system including a new preheater and new temperature settings for the preheater. Continuous condensation of formaldehyde with propionic acid were carried out over 10% Nb O /SiO at 300°C without 2 5 2 interruption. Five activity and four regeneration cycles have been completed without plugging or material balance problems. The results show that 10% Nb O /SiO deactivates slowly with time 2 5 2 but can be regenerated, at least four times, to 100% of its original activity with 2% O in nitrogen 2 at 400°C. The cycles continue with consistent 90-95% of carbon balance. The reaction is scheduled to complete with 6 activity cycles and 5 regenerations. Used catalysts will be analyzed with TGA and XPS to determine bulk and surface coke content and coke properties. RTI will start the investigation of effects of propionic acid/formaldehyde ratio on reaction activity and product selectivity over 20% Nb O /SiO catalysts.

Ben W.-L. Jang; Gerald N. Choi; James J. Spivey; Jospeh R. Zoeller; Richard D. Colberg; Samuel S. Tam

1998-07-27T23:59:59.000Z

151

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

152

SYNTHESIS OF METHYL METHACRYLATE FROM COAL-DERIVED SYNGAS  

DOE Green Energy (OSTI)

Research Triangle Institute (RTI), Eastman Chemical Company, and Bechtel collectively are developing a novel three-step process for the synthesis of methyl methacrylate (MMA) from coal-derived syngas that consists of the steps of synthesis of a propionate, its condensation with formaldehyde to form methacrylic acid (MAA), and esterification of MAA with methanol to produce MMA. RTI has completed the research on the three-step methanol-based route to MMA. Under an extension to the original contract, RTI is currently evaluating a new DME-based process for MMA. The key research need for DME route is to develop catalysts for DME partial oxidation reactions and DME condensation reactions. Over the last quarter (July-September, 1998), the project team has completed the continuous condensation of formaldehyde with propionic acid over 10% Nb{sub 2}O{sub 5}/SiO{sub 2} at 300 C. Six activity and five regeneration cycles have been completed. The results show that 10% Nb{sub 2}O{sub 5}/SiO{sub 2} deactivates slowly with time but can be regenerated to its original activity with 2% O{sub 2} in nitrogen over night at 400 C. We have investigated the effects of regeneration, propionic acid/formaldehyde ratio (PA/HCHO = 4.5/1 to 1.5/1) and reaction temperature(280-300 C) on reaction activity and product selectivity over 20% Nb{sub 2}O{sub 5}/SiO{sub 2} catalysts. The regeneration effect on 20% Nb{sub 2}O{sub 5}/SiO{sub 2} is similar to the effect on 10% Nb{sub 2}O{sub 5}/SiO{sub 2}. The regeneration can bring the deactivated catalyst to its original activity. However, the selectivity to MAA decreases with regeneration while the selectivity to DEK and CO{sub 2} increases. When PA/HCHO ratio is decreased from 4.5/1 to 2.25/1 then to 1.5/1 at 300 C the MAA yield decreases but the MAA selectivity first increases then decreases. Decreasing the reaction temperature from 300 C to 280 C decreases the MAA yield from 39.5% to 30.7% but increases the MAA selectivity from 73.7% to 82.2%. The results indicate that both temperature and PA/HCHO ratio are important parameters to optimize the economic of the condensation between propionic acid and formaldehyde.

BEN W.-L. JANG; GERALD N. CHOI; JAMES J. SPIVEY; JOSPEH R. ZOELLER; RICHARD D. COLBERG

1998-10-20T23:59:59.000Z

153

Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III)  

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

9 9 Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III) Intermediates of Methyl-Coenzyme M Reductase Methyl-coenzyme M reductase (MCR) from methanogenic archaea catalyzes the terminal step in biological methane synthesis. Using coenzyme B (CoBSH) as the two-electron donor, MCR reduces methyl-coenzyme M (methyl-SCoM) to form methane and the heterodisulfide product, CoBS-SCoM. MCR contains an essential redox active nickel tetrapyrrolic cofactor called coenzyme F430 at its active site, which is active in the reduced Ni(I) state (MCRred1). All of the biologically generated methane, amounting to 1 billion tons per annum globally, is formed by MCR. Furthermore, recent evidence indicates that anaerobic methane oxidation is also catalyzed by MCR and occurs by a reversal of the methane synthesis reaction. Methane is a potent greenhouse gas, trapping 20 times more heat than CO2. In addition, methane is also an important and clean fuel as it produced the least amount of CO2 per unit of heat released. Thus, it is critically important to understand the mechanism of formation of the smallest hydrocarbon in nature.

154

Role of Morphological Growth State and Gene Expression in Desulfovibrio africanus strain Walvis Bay Mercury Methylation  

Science Conference Proceedings (OSTI)

The biogeochemical transformations of mercury are a complex process, with the production of methylmercury, a potent human neurotoxin, repeatedly demonstrated in sulfate- and Fe(III)- reducing as well as methanogenic bacteria. However, little is known regarding the morphology, genes or proteins involved in methylmercury generation. Desulfovibrio africanus strain Walvis Bay is a Hg-methylating -proteobacterium with a sequenced genome and has unusual pleomorphic forms. In this study, a relationship between the pleomorphism and Hg methylation was investigated. Proportional increases in the sigmoidal (regular) cell form corresponded with increased net MeHg production, but decreased when the pinched cocci (persister) form became the major morphotype. D. africanus microarrays indicated that the ferrous iron transport genes (feoAB), as well as ribosomal genes and several genes whose products are predicted to have metal binding domains (CxxC), were up-regulated during exposure to Hg in the exponential phase. While no specific methylation pathways were identified, the finding that Hg may interfere with iron transport and the correlation of growth-phase dependent morphology with MeHg production are notable. The identification of these relationships between differential gene expression, morphology, and the growth phase dependence of Hg transformations suggests that actively growing cells are primarily responsible for methylation, and so areas with ample carbon and electron-acceptor concentrations may also generate a higher proportion of methylmercury than more oligotrophic environments. The observation of increased iron transporter expression also suggests that Hg methylation may interfere with iron biogeochemical cycles.

Moberly, James G [ORNL; Miller, Carrie L [ORNL; Brown, Steven D [ORNL; Biswas, Abir [ORNL; Brandt, Craig C [ORNL; Palumbo, Anthony Vito [ORNL; Elias, Dwayne A [ORNL

2012-01-01T23:59:59.000Z

155

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

156

DOEEA-1157 ENVIRONlMENTAL ASSESSMENT METHYL CHLORIDE VIA OXYHYDROCHLOFUNATION OF METHANE:  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

57 57 ENVIRONlMENTAL ASSESSMENT METHYL CHLORIDE VIA OXYHYDROCHLOFUNATION OF METHANE: A BUILDING BLOCK FOR CHEMICALS AND FUELS FROM NATURAL GAS DOW CORNING CORPORATION CARROLLTON, KENTUCKY SEPTEMBER 1996 U.S. DEPARTMENT OF ENERGY PITTSBURGH ENERGY TECHNOLOGY CENTER CUM ~~~~~~~~ DOEEA-1157 ENVIRONlMENTAL ASSESSMENT METHYL CHLORIDE VIA OXYHYDROCHLORINATION OF METHANE: A BUILDING BLOCK FOR CHEMICALS AND FUELS FROM NATURAL GAS DOW CORNING CORPORATION CARROLLTON, KENTUCKY SEPTEMBER 1996 U.S. DEPARTMENT OF ENERGY PITTSBURGH ENERGY TECHNOLOGY CENTER Portions of this document may be illegible in electronic image products. Image are produced from the best available original document. &E/,Etq --,/s7 FINDING OF NO SIGNIFICANT IMPACT FOR THE PROPOSED METHYL CHLORIDE V

157

Two poplar methyl salicylate esterases display comparable biochemical properties but divergent expression patterns  

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

Two Two poplar methyl salicylate esterases display comparable biochemical properties but divergent expression patterns Nan Zhao a , Ju Guan a , Farhad Forouhar b , Timothy J. Tschaplinski c , Zong-Ming Cheng a , Liang Tong b , Feng Chen a, * a Department of Plant Sciences, University of Tennessee, 252 Ellington Plant Science Bldg., 2431 Joe Johnson Drive, Knoxville, TN 37996, USA b Department of Biological Sciences, Northeast Structural Genomics Consortium, Columbia University, New York, NY 10027, USA c Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA a r t i c l e i n f o Article history: Received 3 June 2008 Received in revised form 27 October 2008 Available online 10 January 2009 Keywords: Black cottonwood Populus trichocarpa Methyl esterase SABP2 Methyl salicylate Salicylic acid Gene family Molecular modeling a b s t r a c t Two genes encoding proteins

158

Methylation of the ATM promoter in glioma cells alters ionizing radiation sensitivity  

SciTech Connect

Glioblastomas are among the malignancies most resistant to radiation therapy. In contrast, cells lacking the ATM protein are highly sensitive to ionizing radiation. The relationship between ATM protein expression and radiosensitivity in 3 glioma cell lines was examined. T98G cells exhibited normal levels of ATM protein, whereas U118 and U87 cells had significantly lower levels of ATM and increased (>2-fold) sensitivity to ionizing radiation compared to T98G cells. The ATM promoter was methylated in U87 cells. Demethylation by azacytidine treatment increased ATM protein levels in the U87 cells and decreased their radiosensitivity. In contrast, the ATM promoter in U118 cells was not methylated. Further, expression of exogenous ATM did not significantly alter the radiosensitivity of U118 cells. ATM expression is therefore heterogeneous in the glioma cells examined. In conclusion, methylation of the ATM promoter may account for the variable radiosensitivity and heterogeneous ATM expression in a fraction of glioma cells.

Roy, Kanaklata [Division of Genomic Stability and DNA Repair, Department of Radiation Oncology, Harvard Medical School, Dana-Farber Cancer Institute, 44 Binney St, Boston, MA 02115 (United States); Wang, Lilin [Division of Genomic Stability and DNA Repair, Department of Radiation Oncology, Harvard Medical School, Dana-Farber Cancer Institute, 44 Binney St, Boston, MA 02115 (United States); Makrigiorgos, G. Mike [Division of Genomic Stability and DNA Repair, Department of Radiation Oncology, Harvard Medical School, Dana-Farber Cancer Institute, 44 Binney St, Boston, MA 02115 (United States); Price, Brendan D. [Division of Genomic Stability and DNA Repair, Department of Radiation Oncology, Harvard Medical School, Dana-Farber Cancer Institute, 44 Binney St, Boston, MA 02115 (United States)]. E-mail: brendan_price@dfci.harvard.edu

2006-06-09T23:59:59.000Z

159

The methylation of benzoic and n-butyric acids by chloromethane in Phellinus pomaceus  

E-Print Network (OSTI)

The kinetics of carboxylic acid methylation by chloromethane (CH3Cl) in myceliaaf the fungus Phellinus pomaceus were examined. Substantial incorporation of C2H3- into ester was observed within 5 min of addition of C2H3Cl to washed mycelia in the presence of the non-physiological acceptor butyric acid, rendering it unlikely that CH3Cl was converted to a diffusible intermediate before acting as methyl donor. The rate of methyl butyrate biosynthesis attained a maximum of 0.14 pmol g-l h-l at 1-5 mM-butyric acid, with higher concentrations causing increasing inhibition. Exogenous CH3Cl did not affect methyl butyrate production implying that the rate of CH3Cl biosynthesis did not limit methylation. However, C2H3-incorporation from exogenous C2H3Cl into methyl butyrate rose sharply from 20 to 60 % between 1.5 and 4 mM-butyric acid, suggesting inhibition of CH3Cl biosynthesis by the acid, an interpretation supported by the rapid decline in gaseous CH3Cl release by mycelia between 1.5 and 2 mM-butyric acid. With the natural acceptor benzoic acid as substrate a significant increase in the rate of ester biosynthesis was obtained in the presence of exogenous CH3Cl. Ester biosynthesis was maximal (0.18 pmol g-l h-l) at 0.5 mM-benZOiC acid but fell extremely rapidly with increasing concentration. As with butyric acid supraoptimal concentrations halted CH3Cl release and increased C2H3-incorporation from exogenous C2H3Cl. Studies on C2H3-incorporation from exogenous C2H3Cl into ester revealed a linear relationship between the logarithm of the percentage C2H3-incorporation and the logarithm of C2H3Cl

Kieran J. Mcnally; David B. Harper. *t

1990-01-01T23:59:59.000Z

160

Chromosome-wide mapping of DNA methylation patterns in normal and malignant prostate cells reveals pervasive methylation of gene-associated and conserved intergenic sequences  

E-Print Network (OSTI)

-2 -1 0 1 2 3 4 5 6 Lo g 2 (F ol d hy pe rm et hy la tio n) in tu m or -n or m al p ai rs 0 35 -0.25 2.0 -0.25 2.0 0 1.0 LNCaP PrEC CpG density Phast Cons A B Tumor-Normal pairs sorted by extent of hypermethylation Additional #31;le 9. ... mammalian and vertebrate species (indicated by high phastCons scores > 0.8; [27]) compared with what would be expected by ran- dom chance (Figure 5A). Additionally, we found that the methylated and differentially methylated regions had a highly significant...

Yegnasubramanian, Srinivasan; Wu, Zhijin; Haffner, Michael C; Esopi, David; Aryee, Martin J; Badrinath, Raghav; He, Tony L; Morgan, James D; Carvalho, Benilton S; Zheng, Qizhi; De Marzo, Angelo M; Irizarry, Rafael A; Nelson, William G

2011-06-13T23:59:59.000Z

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


161

Stepwise DNA Methylation Changes Are Linked to Escape from Defined Proliferation Barriers and Mammary Epithelial Cell Immortalization  

SciTech Connect

The timing and progression of DNA methylation changes during carcinogenesis are not completely understood. To develop a timeline of aberrant DNA methylation events during malignant transformation, we analyzed genome-wide DNA methylation patterns in an isogenic human mammary epithelial cell (HMEC) culture model of transformation. To acquire immortality and malignancy, the cultured finite lifespan HMEC must overcome two distinct proliferation barriers. The first barrier, stasis, is mediated by the retinoblastoma protein and can be overcome by loss of p16(INK4A) expression. HMEC that escape stasis and continue to proliferate become genomically unstable before encountering a second more stringent proliferation barrier, telomere dysfunction due to telomere attrition. Rare cells that acquire telomerase expression may escape this barrier, become immortal, and develop further malignant properties. Our analysis of HMEC transitioning from finite lifespan to malignantly transformed showed that aberrant DNA methylation changes occur in a stepwise fashion early in the transformation process. The first aberrant DNA methylation step coincides with overcoming stasis, and results in few to hundreds of changes, depending on how stasis was overcome. A second step coincides with immortalization and results in hundreds of additional DNA methylation changes regardless of the immortalization pathway. A majority of these DNA methylation changes are also found in malignant breast cancer cells. These results show that large-scale epigenetic remodeling occurs in the earliest steps of mammary carcinogenesis, temporally links DNA methylation changes and overcoming cellular proliferation barriers, and provides a bank of potential epigenetic biomarkers that mayprove useful in breast cancer risk assessment.

Novak, Petr; Jensen, Taylor J.; Garbe, James C.; Stampfer, Martha R.; Futscher, Bernard W.

2009-04-20T23:59:59.000Z

162

Experimental and Computational Thermochemical Study of 2-and 3-Thiopheneacetic Acid Methyl Esters  

E-Print Network (OSTI)

, biodiagnostics, electronic and optoelectronic devices, and conductive polymers. The present study reports acid methyl esters. The enthalpies of combustion and vaporization were measured by a rotating-bomb of the compounds studied was carried out. Calculated enthalpies of formation, using atomization and isodesmic

Chickos, James S.

163

Methyl Bromide o Bromomethane, monobromomethane, isobrome, Brom-o-Gas, Bromomethane, Celume,  

E-Print Network (OSTI)

bromide produced in the U.S. goes into pesticidal formulations (as of 1996) Total use of 711,175 lb in 2009, 78% on imported and 22% on exported material under Plant Protection and Quarantine oversight of exports requiring MB fumigation in 2005-2009 $2.2 billion/year o Methylating solvent, low-boiling solvent

Toohey, Darin W.

164

Headspace gas chromatographic method for determination of methyl bromide in food ingredients  

SciTech Connect

A headspace gas chromatographic (GC) method, which can be automated, has been developed for determination of methyl bromide. This method has been applied to wheat, flour, cocoa, and peanuts. Samples to be analyzed are placed in headspace sample vials, water is added, and the vials are sealed with Teflon-lined septa. After an appropriate equilibration time at 32 degrees C, the samples are analyzed within 10 h. A sample of the headspace is withdrawn and analyzed on a gas chromatograph equipped with an electron capture detector (ECD). Methyl bromide levels were quantitated by comparison of peak area with a standard. The standard was generated by adding a known amount of methyl bromide to a portion of the matrix being analyzed and which was known to be methyl bromide free. The detection limit of the method was 0.4 ppb. The coefficient of variation (CV) was 6.5% for wheat, 8.3% for flour, 3.3% for cocoa, and 11.6% for peanuts.

DeVries, J.W.; Broge, J.M.; Schroeder, J.P.; Bowers, R.H.; Larson, P.A.; Burns, N.M.

1985-11-01T23:59:59.000Z

165

Double chromodomains cooperate to recognize the methylated histone H3 tail  

Science Conference Proceedings (OSTI)

Chromodomains are modules implicated in the recognition of lysine-methylated histone tails and nucleic acids. CHD (for chromo-ATPase/helicase-DNA-binding) proteins regulate ATP-dependent nucleosome assembly and mobilization through their conserved double chromodomains and SWI2/SNF2 helicase/ATPase domain. The Drosophila CHD1 localizes to the interbands and puffs of the polytene chromosomes, which are classic sites of transcriptional activity. Other CHD isoforms (CHD3/4 or Mi-2) are important for nucleosome remodelling in histone deacetylase complexes. Deletion of chromodomains impairs nucleosome binding and remodelling by CHD proteins. Here we describe the structure of the tandem arrangement of the human CHD1 chromodomains, and its interactions with histone tails. Unlike HP1 and Polycomb proteins that use single chromodomains to bind to their respective methylated histone H3 tails, the two chromodomains of CHD1 cooperate to interact with one methylated H3 tail. We show that the human CHD1 double chromodomains target the lysine 4-methylated histone H3 tail (H3K4me), a hallmark of active chromatin. Methylammonium recognition involves two aromatic residues, not the three-residue aromatic cage used by chromodomains of HP1 and Polycomb proteins. Furthermore, unique inserts within chromodomain 1 of CHD1 block the expected site of H3 tail binding seen in HP1 and Polycomb, instead directing H3 binding to a groove at the inter-chromodomain junction.

Flanagan, John F.; Mi, Li-Zhi; Chruszcz, Maksymilian; Cymborowski, Marcin; Clines, Katrina L.; Kim, Youngchang; Minor, Wladek; Rastinejad, Fraydoon; Khorasanizadeh, Sepideh (ANL/SBC); (UV)

2010-07-19T23:59:59.000Z

166

Combustion chemical kinetics of biodiesel and related compounds (methyl and ethyl esters): Experiments and  

E-Print Network (OSTI)

1 Combustion chemical kinetics of biodiesel and related compounds (methyl and ethyl esters and reduced exhaust emissions have led to the emergence of new fuels and combustion devices. Over the past ten years, considerable effort has gone into understanding combustion phenomena in relation to emerging fuel

167

Growth of diamond films using an enclosed methyl-acetylene and propadiene combustion flame  

E-Print Network (OSTI)

1 Growth of diamond films using an enclosed methyl-acetylene and propadiene combustion flame K Abstract Diamond growth in low pressure combustion flames was studied using a safer, more economical and chemical kinetic time scales in the combustion reactor. 1 Present Address: 3M Corporation, Bldg. 60-1N-01

Dandy, David

168

Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal  

E-Print Network (OSTI)

, and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu, and Donald G. Truhlar Citation: J. Chem. Phys. 137, 104314 abstraction from 1-butanol, 2-methyl-1-propanol, and butanal Ewa Papajak, Prasenjit Seal, Xuefei Xu- propanol, and butanal. Electronic structure calculations for all conformers of the radicals were car- ried

Truhlar, Donald G

169

Scaling properties of diffusive electronic transport in graphene nanoribbons functionalized with methyl-groups  

Science Conference Proceedings (OSTI)

We present a systematic study of the electronic transport properties of graphene nanoribbons functionalized with methyl-groups. Our numerical simulations are based on the Green's function approach and the tight-binding description of graphene. In the ... Keywords: Electronic transport, Functionalization, Graphene nanoribbons

Alessandro Cresti

2013-06-01T23:59:59.000Z

170

Electrochemical Investigation of Al–Li/LixFePO4 Cells in Oligo(ethylene glycol) Dimethyl Ether/LiPF6  

DOE Green Energy (OSTI)

1 M LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight, 500 g mol{sup -1} (OEGDME500, 1 M LiPF{sub 6}), was investigated as an electrolyte in experimental Al-Li/LiFePO{sub 4} cells. More than 60 cycles were achieved using this electrolyte in a Li-ion cell with an Al-Li alloy as an anode sandwiched between two Li x FePO{sub 4} electrodes (cathodes). Charging efficiencies of 96-100% and energy efficiencies of 86-89% were maintained during 60 cycles at low current densities. A theoretical investigation revealed that the specific energy can be increased up to 15% if conventional LiC{sub 6} anodes are replaced by Al-Li alloy electrodes. The specific energy and the energy density were calculated as a function of the active mass per electrode surface (charge density). The results reveal that for a charge density of 4 mAh cm{sup -2} about 160 mWh g{sup -1} can be reached with Al-Li/LiFePO{sub 4} batteries. Power limiting diffusion processes are discussed, and the power capability of Al-Li/LiFePO{sub 4} cells was experimentally evaluated using conventional electrolytes.

Wang, X.J.; Zhou, Y.N.; Lee, H.S.; Nam, K.W.; Yang, X.Q.; Haas, O.

2011-02-01T23:59:59.000Z

171

Structure-Based Mechanistic Insights into DNMT1-Mediated Maintenance DNA Methylation  

SciTech Connect

DNMT1, the major maintenance DNA methyltransferase in animals, helps to regulate gene expression, genome imprinting, and X-chromosome inactivation. We report on the crystal structure of a productive covalent mouse DNMT1(731-1602)-DNA complex containing a central hemimethylated CpG site. The methyl group of methylcytosine is positioned within a shallow hydrophobic concave surface, whereas the cytosine on the target strand is looped out and covalently anchored within the catalytic pocket. The DNA is distorted at the hemimethylated CpG step, with side chains from catalytic and recognition loops inserting through both grooves to fill an intercalation-type cavity associated with a dual base flip-out on partner strands. Structural and biochemical data establish how a combination of active and autoinhibitory mechanisms ensures the high fidelity of DNMT1-mediated maintenance DNA methylation.

Song, Jikui; Teplova, Marianna; Ishibe-Murakami, Satoko; Patel, Dinshaw J. (MSKCC)

2012-03-26T23:59:59.000Z

172

Method of recycling lithium borate to lithium borohydride through methyl borate  

DOE Patents (OSTI)

This invention provides a method for the recycling of lithium borate to lithium borohydride which can be reacted with water to generate hydrogen for utilization as a fuel. The lithium borate by-product of the hydrogen generation reaction is reacted with hydrogen chloride and water to produce boric acid and lithium chloride. The boric acid and lithium chloride are converted to lithium borohydride through a methyl borate intermediate to complete the recycle scheme.

Filby, Evan E. (Rigby, ID)

1977-01-01T23:59:59.000Z

173

Durability of Poly(Methyl Methacrylate) Lenses Used in Concentrating Photovoltaic Technology (Revised) (Presentation)  

DOE Green Energy (OSTI)

Concentrating photovoltaic (CPV) technology recently gained interest based on its expected low levelized cost of electricity, high efficiency, and scalability. Many CPV systems employ Fresnel lenses composed of poly(methyl methacrylate) (PMMA) to obtain a high optical flux density on the cell. The optical and mechanical durability of these lenses, however, is not well established relative to the desired surface life of 30 years. Our research aims to quantify the expected lifetime of PMMA in key market locations (FL, AZ, and CO).

Miller, D. C.; Carloni, J. D.; Pankow, J. W.; Gjersing, E. L.; To, B.; Packard, C. E.; Kennedy, C. E.; Kurtz, S. R.

2012-01-01T23:59:59.000Z

174

CORRELATION OF DNA METHYLATION WITH MERCURY CONTAMINATION IN MARINE ORGANISMS: A CASE STUDY OF NOAA MUSSEL WATCH TISSUE SAMPLES  

E-Print Network (OSTI)

American oysters (Crassostrea virginica) obtained from the NOAA Mussel Watch program were screened for DNA methylation, a type of epigenetic response to stressors. Oysters were collected from sites in the Gulf of Mexico having high mercury contamination (measured by NOAA) and from sites with little to no measurable mercury. Assessment of anthropogenic stressors such as mercury in the coastal environment has traditionally relied upon species diversity indices or assays to determine lethal doses. However, these indices fail to examine sub-lethal impacts such as gene expression. A ‘global’ DNA methylation kit, recently introduced by Sigma-Aldrich, was used to spectrophotometrically compare the degree of methylation in DNA extracted from contaminated oysters and non-contaminated oysters. DNA methylation was higher in oysters from pristine sites than in oysters from contaminated sites.

Brinkmeyer, Robin; Taylor, Robert; Germ, Kaylyn E.

2011-08-04T23:59:59.000Z

175

Optimal estimation of the surface fluxes of methyl chloride using a 3-D global chemical transport model  

E-Print Network (OSTI)

Methyl chloride (CH3Cl) [CH subscript 3 Cl] is a chlorine-containing trace gas in the atmosphere contributing significantly to stratospheric ozone depletion. Large uncertainties in estimates of its source and sink magnitudes ...

Xiao, Xue

176

ThermoML Data for JCED  

Science Conference Proceedings (OSTI)

... Title: Liquid Liquid Equilibria of Water + Acetic Acid + Cyclopentyl Methyl Ether ... Title: Effects of Different Organic Acids on Solubility and Metastable ...

177

Impact of Renewable Fuels Standard/MTBE Provisions of S. 517 Requested by Sens. Daschle & Murkowski  

Reports and Publications (EIA)

Additional analysis of the impact of the Renewable Fuels Standard (RFS) and methyl tertiary butyl ether (MTBE) ban provisions of S. 517.

Information Center

2002-04-01T23:59:59.000Z

178

Impact of Renewable Fuels Standard/MTBE Provisions of S.1766  

U.S. Energy Information Administration (EIA)

SR/OIAF/2002-06 Release date: March 2002 This report analyzes the Renewable Fuels Standard (RFS)/methyl tertiary butyl ether (MTBE) provisions of S. 1766.

179

Methylation status and transcriptional expression of the MHC class I loci in human trophoblast cells from term placenta  

Science Conference Proceedings (OSTI)

Of the various molecular regulatory mechanisms that may be used by human trophoblast cells to down-regulate expression of HLA class I genes, we chose to investigate the methylation of DNA, generally associated with inhibition of transcription. We analyzed the methylation status of different HLA class I loci in villous and extravillous cytotrophoblast cells and in vitro-differentiated syncytiotrophoblast, purified from human term placenta, as well as in the human trophoblast-derived JAR and JEG-3 cell lines. We then compared methylation status and transcriptional activity. An inverse relationship was established between JAR and JEG-3: HLA-A, -B, and -G are methylated and repressed in JAR, whereas in JEG-3, HLA-A is methylated and repressed but HLA-B and -G are partially methylated and transcribed. HLA-E is unmethylated and transcribed in both cell lines. Apart from HLA-E, which is always unmethylated and transcribed, no such relationship exists for the other class I loci in trophoblast cells. Whereas nonclassical HLA-G and classical HLA-A and -B class I genes are undermethylated in both cytotrophoblast and syncytiotrophoblast, they are clearly transcribed in the former but minimally transcribed in the latter subpopulation. Thus, the down-regulation of class I gene expression in the in vitro-differentiated synctiotrophoblast is unlikely to be caused by DNA methylation. Furthermore, there is no detectable expression of any class I molecule at the cell surface of either trophoblast cell subpopulation, suggesting a negative control on translation and/or on the secretory pathway to the plasma membrane. 50 refs., 11 figs., 1 tab.

Guillaudeux, T.; Rodriguez, A.M.; Girr, M. [University Hospital Center Purpan, Toulouse (France)] [and others

1995-04-01T23:59:59.000Z

180

In-cylinder pressure characteristics of a CI engine using blends of diesel fuel and methyl esters of beef tallow  

Science Conference Proceedings (OSTI)

A Cummins N14-410 diesel engine was operated on 12 fuels produced by blending methyl tallowate, methyl soyate, and ethanol with no. 2 diesel fuel. Engine in-cylinder pressure data were used to evaluate engine performance. Peak cylinder pressures for each fuel blend at all engine speeds were lower than peak pressure for diesel fuel with the exception of the 80% diesel, 13% methyl tallowate, and 7% ethanol; and the 80% diesel, 6.5% methyl tallowate, 6.5% methyl soyate and 7% ethanol blends. The indicated mean effective pressure (IMEP) values for all fuel blends were less than for diesel fuel. The differences in IMEP values correlated with differences in power output of the engine. Similarly, maximum rates of pressure rise for most fuel blends were less than for diesel fuel. It was concluded that the fuel blends used in this study would have no detrimental long-term effects on engine performance, wear, and knock. 6 refs., 4 figs., 7 tabs.

Ali, Y.; Hanna, M.A.; Borg, J.E. [Univ. of Nebraska, Lincoln, NE (United States)

1996-05-01T23:59:59.000Z

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


181

Autoignition measurements and a validated kinetic model for the biodiesel surrogate, methyl butanoate  

Science Conference Proceedings (OSTI)

The autoignition of methyl butanoate has been studied at 1 and 4 atm in a shock tube over the temperature range 1250-1760 K at equivalence ratios of 1.5, 1.0, 0.5, and 0.25 at fuel concentrations of 1.0 and 1.5%. These measurements are complemented by autoignition data from a rapid compression machine over the temperature range 640-949 K at compressed gas pressures of 10, 20, and 40 atm and at varying equivalence ratios of 1.0, 0.5, and 0.33 using fuel concentrations of 1.59 and 3.13%. The autoignition of methyl butanoate is observed to follow Arrhenius-like temperature dependence over all conditions studied. These data, together with speciation data reported in the literature in a flow reactor, a jet-stirred reactor, and an opposed-flow diffusion flame, were used to produce a detailed chemical kinetic model. It was found that the model correctly simulated the effect of change in equivalence ratio, fuel fraction, and pressure for shock tube ignition delays. The agreement with rapid compression machine ignition delays is less accurate, although the qualitative agreement is reasonable. The model reproduces most speciation data with good accuracy. In addition, the important reaction pathways over each regime have been elucidated by both sensitivity and flux analyses. (author)

Dooley, S.; Curran, H.J.; Simmie, J.M. [Combustion Chemistry Centre, National University of Ireland, Galway (Ireland)

2008-04-15T23:59:59.000Z

182

Characterization of the Deltaproteobacteria in Contaminated and Uncontaminated Surface Stream Sediments and Identification of Potential Mercury Methylators  

Science Conference Proceedings (OSTI)

Microbial communities were examined in surface stream sediments at five contaminated sites and one control site near Oak Ridge, TN in order to identify bacteria that could be contributing to mercury methylation. The phylogenetic composition of the sediment bacterial community was examined over three quarterly sampling periods (36 samples) using 16s rRNA pyrosequencing. Only 3064 sequences (0.85 % of the total community) were identified as Deltaproteobacteria by the RDP classifier at the 99% confidence threshold. Constrained ordination techniques indicated significant positive correlations between Desulfobulbus spp., Desulfonema spp. and Desulfobacca spp. and methyl mercury concentrations in the contaminated sites. On the contrary, the distribution of organisms related to Byssovorax was significantly correlated to inorganic carbon, nitrate and uranium concentrations. Overall, the abundance and richness of Deltaproteobacteria sequences were higher in the sediments of the site, while the majority of the members present at the contaminated sites were either known metal reducers/methylators or metal tolerant species.

Mosher, Jennifer J [ORNL; Vishnivetskaya, Tatiana A [ORNL; Elias, Dwayne A [ORNL; Podar, Mircea [ORNL; Brooks, Scott C [ORNL; Brown, Steven D [ORNL; Brandt, Craig C [ORNL; Palumbo, Anthony Vito [ORNL

2012-01-01T23:59:59.000Z

183

Densities and viscosities for binary mixtures of N-methyldiethanolamine + triethylene glycol monomethyl ether from 25 C to 70 C and N-methyldiethanolamine + ethanol mixtures at 40 C  

Science Conference Proceedings (OSTI)

Recent studies done on the absorption and desorption of acid gases (CO{sub 2}, H{sub 2}S) from natural gas, petroleum, and ammonia synthesis streams have shown that aqueous solutions of N-methyldiethanolamine (MDEA) can be used effectively for the selective removal of H{sub 2}S. This paper reports the measured values of the density and viscosity of binary mixtures of N-methyldiethanolamine (MDEA) and triethylene glycol monomethyl ether (TEGMME) at five temperatures in the range 25 C to 70 C over the whole concentration range. The authors also report the density and viscosity of the binary mixture MDEA + ethanol at 40 C. The results are compared with data for aqueous mixtures and other alkanolamines when these are available. The derived excess molar volumes and viscosity deviations were correlated as a function of composition. The Grunberg-Nissan interaction energy constants are also reported.

Henni, A.; Maham, Y.; Tontiwachwuthikul, P.; Chakma, A.; Mather, A.E.

2000-04-01T23:59:59.000Z

184

Chemical ionization tandem mass spectrometer for the in situ measurement of methyl hydrogen peroxide  

SciTech Connect

A new approach for measuring gas-phase methyl hydrogen peroxide [(MHP) CH{sub 3}OOH] utilizing chemical ionization mass spectrometry is presented. Tandem mass spectrometry is used to avoid mass interferences that hindered previous attempts to measure atmospheric CH{sub 3}OOH with CF{sub 3}O{sup -} clustering chemistry. CH{sub 3}OOH has been successfully measured in situ using this technique during both airborne and ground-based campaigns. The accuracy and precision for the MHP measurement are a function of water vapor mixing ratio. Typical precision at 500 pptv MHP and 100 ppmv H{sub 2}O is {+-}80 pptv (2 sigma) for a 1 s integration period. The accuracy at 100 ppmv H{sub 2}O is estimated to be better than {+-}40%. Chemical ionization tandem mass spectrometry shows considerable promise for the determination of in situ atmospheric trace gas mixing ratios where isobaric compounds or mass interferences impede accurate measurements.

St Clair, Jason M.; McCabe, David C. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, California 91125 (United States); Crounse, John D. [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125 (United States); Steiner, Urs [Varian, Inc., Santa Clara, California 95051 (United States); Wennberg, Paul O. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, California 91125 (United States); Division of Engineering and Applied Science, California Institute of Technology, Pasadena, California 91125 (United States)

2010-09-15T23:59:59.000Z

185

Generation kinetics of color centers in irradiated poly(4-methyl-1-pentene)  

SciTech Connect

The transient absorbance of poly(4-methyl-1-pentene) (PMP) irradiated with gamma rays at elevated temperatures has been investigated. The absorbance in the ultraviolet and visible range increases with gamma ray dose. A bathochromic shift in transmission spectra emerges significantly upon irradiation. A first-order generation model is proposed to analyze the kinetics of color centers during annealing. The activation energy of the color center increases with increasing gamma ray dose. The equilibrium behavior of color centers in PMP is similar to that of vacancies in metals, and the formation energy of color centers in PMP decreases with increasing gamma ray dose. However, annealable color centers are not observed in this study.

Peng, J. S.; Li, C. L.; Lee, Sanboh [Department of Materials Science and Engineering National Tsing Hua University, Hsinchu 300, Taiwan (China); Chou, K. F. [Department of Biomechanical Engineering Yuanpei University, Hsinchu 300, Taiwan (China)

2011-09-15T23:59:59.000Z

186

Mesoscale simulation of shocked poly-(4-methyl-1-pentene) (PMP) foams.  

Science Conference Proceedings (OSTI)

Hydrocarbon foams are commonly used in HEDP experiments, and are subject to shock compression from tens to hundreds of GPa. Modeling foams is challenging due to the heterogeneous character of the foam. A quantitative understanding of foams under strong dynamic compression is sought. We use Sandia's ALEGRA-MHD code to simulate 3D mesoscale models of pure poly(4-methyl-1-petene) (PMP) foams. We employ two models of the initial polymer-void structure of the foam and analyze the statistical properties of the initial and shocked states. We compare the simulations to multi-Mbar shock experiments at various initial foam densities and flyer impact velocities. Scatter in the experimental data may be a consequence of the initial foam inhomogeneity. We compare the statistical properties the simulations with the scatter in the experimental data.

Schroen, Diana Grace; Flicker, Dawn G.; Haill, Thomas A.; Root, Seth; Mattsson, Thomas Kjell Rene

2011-06-01T23:59:59.000Z

187

Methyl Chloride from Direct Methane Partial Oxidation: A High-Temperature Shilov-Like Catalytic System  

SciTech Connect

The intention of this study is to demonstrate and evaluate the scientific and economic feasibility of using special solvents to improve the thermal stability of Pt-catalyst in the Shilov system, such that a high reaction temperature could be achieved. The higher conversion rate (near 100%) of methyl chloride from partial oxidation of methane under the high temperature ({approx} 200 C) without significant Pt0 precipitation has been achieved. High concentration of the Cl- ion has been identified as the key for the stabilization of the Pt-catalysts. H/D exchange measurements indicated that the over oxidation will occur at the elevated temperature, developments of the effective product separation processes will be necessary in order to rationalize the industry-visible CH4 to CH3Cl conversion.

Yongchun Tang; John (Qisheng) Ma

2012-03-23T23:59:59.000Z

188

Raman spectra of bilayer graphene covered with Poly(methyl methacrylate) thin film  

SciTech Connect

The Raman spectra of bilayer graphene covered with poly(methyl methacrylate) (PMMA) were investigated. Both the G and 2D peaks of PMMA-coated graphene were stiff and broad compared with those of uncovered graphene. This could be attributed to the residual strain induced by high-temperature baking during fabrication of the nanodevice. Furthermore, the two 2D peaks stiffened and broadened with increasing laser power, which is just the reverse to uncovered graphene. The stiffness is likely caused by graphene compression induced by the circular bubble of the thin PMMA film generated by laser irradiation. Our findings may contribute to the application of PMMA in the strain engineering of graphene nanodevices.

Xia Minggang [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Science, Xi'an Jiaotong University, 710049 (China); Center on Experimental Physics, School of Science, Xi'an Jiaotong University, 710049 (China); Su Zhidan; Zhang Shengli [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Science, Xi'an Jiaotong University, 710049 (China); Department of Applied Physics, School of Science, Xi'an Jiaotong University, 710049 (China)

2012-09-15T23:59:59.000Z

189

Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling  

SciTech Connect

SET domain containing 6 (SETD6) monomethylates the RelA subunit of nuclear factor kappa B (NF-{kappa}B). The ankyrin repeats of G9a-like protein (GLP) recognizes RelA monomethylated at Lys310. Adjacent to Lys310 is Ser311, a known phosphorylation site of RelA. Ser311 phosphorylation inhibits Lys310 methylation by SETD6 as well as binding of Lys310me1 by GLP. The structure of SETD6 in complex with RelA peptide containing the methylation site, in the presence of S-adenosyl-l-methionine, reveals a V-like protein structure and suggests a model for NF-{kappa}B binding to SETD6. In addition, structural modeling of the GLP ankyrin repeats bound to Lys310me1 peptide provides insight into the molecular basis for inhibition of Lys310me1 binding by Ser311 phosphorylation. Together, these findings provide a structural explanation for a key cellular signaling pathway centered on RelA Lys310 methylation, which is generated by SETD6 and recognized by GLP, and incorporate a methylation-phosphorylation switch of adjacent lysine and serine residues. Finally, SETD6 is structurally similar to the Rubisco large subunit methyltransferase. Given the restriction of Rubisco to plant species, this particular appearance of the protein lysine methyltransferase has been evolutionarily well conserved.

Chang, Yanqi; Levy, Dan; Horton, John R.; Peng, Junmin; Zhang, Xing; Gozani, Or; Cheng, Xiaodong (Emory-MED); (Stanford)

2011-10-10T23:59:59.000Z

190

Methyl quantum tunneling and nitrogen-14 NQR NMR studies using a SQUID magnetic resonance spectrometer  

Science Conference Proceedings (OSTI)

Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) techniques have been very successful in obtaining molecular conformation and dynamics information. Unfortunately, standard NMR and NQR spectrometers are unable to adequately detect resonances below a few megahertz due to the frequency dependent sensitivity of their Faraday coil detectors. For this reason a new spectrometer with a dc SQUID (Superconducting Quantum Interference Device) detector, which has no such frequency dependence, has been developed. Previously, this spectrometer was used to observe {sup 11}B and {sup 27}Al NQR resonances. The scope of this study was increased to include {sup 23}Na, {sup 51}V, and {sup 55}Mn NQR transitions. Also, a technique was presented to observe {sup 14}N NQR resonances through cross relaxation of the nitrogen polarization to adjacent proton spins. When the proton Zeeman splitting matches one nitrogen quadrupoler transition the remaining two {sup 14}N transitions can be detected by sweeping a saturating rf field through resonance. Additionally, simultaneous excitation of two nitrogen resonances provides signal enhancement which helps to connect transitions from the same site. In this way, nitrogen-14 resonances were observed in several amino acids and polypeptides. This spectrometer has also been useful in the direct detection of methyl quantum tunneling splittings at 4.2 K. Tunneling, frequencies of a homologous series of carboxylic acids were measured and for solids with equivalent crystal structures, an exponential correlation between the tunneling frequency and the enthalpy of fusion is observed. This correlation provides information about the contribution of intermolecular interactions to the energy barrier for methyl rotation.

Black, B.E. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley Lab., CA (United States)

1993-07-01T23:59:59.000Z

191

Whole Genome Analysis of Functional Protein Binding Sites and DNA Methylation: Application to p53 and Low Dose Ionizing Radiation.  

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

Whole Genome Analysis of Functional Protein Binding Sites and DNA Methylation: Whole Genome Analysis of Functional Protein Binding Sites and DNA Methylation: Application to p53 and Low Dose Ionizing Radiation. Krassimira Botcheva, John J. Dunn and Carl W. Anderson Biology Department, Brookhaven National Laboratory, Upton, NY 11973, USA The effects of exposure to low doses of ionizing radiation on humans results largely from changes in gene expression mediated by the activation of sequence-specific DNA binding proteins (transcription factors) as well as changes to other chromosomal proteins and perhaps to DNA. To develop a molecular understanding of the consequences of exposures to low doses of ionizing radiation, it will be necessary to understanding where radiation-activated transcription factors bind in whole genomes and how

192

Inhalation developmental toxicology studies: Teratology study of methyl ethyl ketone in mice: Final report  

Science Conference Proceedings (OSTI)

Methyl ethyl ketone (MEK) is a widely used industrial solvent which results in considerable human exposure. In order to assess the potential for MEK to cause developmental toxicity in rodents, four groups of Swiss (CD-1) mice were exposed to 0, 400, 1000 or 3000 ppM MEK vapors, 7 h/day, 7 dy/wk. Ten virgin females and approx.30 plug-positive females per group were exposed concurrently for 10 consecutive days (6--15 dg for mated mice). Body weights were obtained throughout the study period, and uterine and fetal body weights were obtained at sacrifice on 18 dg. Uterine implants were enumerated and their status recorded. Live fetuses were sexed and examined for gross, visceral, skeletal, and soft-tissue craniofacial defects. Exposure of pregnant mice to these concentrations of MEK did not result in apparent maternal toxicity, although there was a slight, treatment-correlated increase in liver to body weight ratios which was significant for the 3000-ppM group. Mild developmental toxicity was evident at 3000-ppM as a reduction in mean fetal body weight. This reduction was statistically significant for the males only, although the relative decrease in mean fetal body weight was the same for both sexes. 17 refs., 4 figs., 10 tabs.

Mast, T.J.; Dill, J.A.; Evanoff, J.J.; Rommereim, R.L.; Weigel, R.J.; Westerberg, R.B.

1989-02-01T23:59:59.000Z

193

Durability of Poly(Methyl Methacrylate) Lenses Used in Concentrating Photovoltaic Modules: Preprint  

Science Conference Proceedings (OSTI)

Concentrating photovoltaic (CPV) technology has recently gained interest based on their expected low levelized cost of electricity, high efficiency, and scalability. Many CPV systems use Fresnel lenses made of poly(methyl methacrylate)(PMMA) to obtain a high optical flux density. The optical and mechanical durability of such components, however, are not well established relative to the desired service life of 30 years. Specific reliability issues may include: reduced optical transmittance, discoloration, hazing, surface erosion, embrittlement, crack growth, physical aging, shape setting (warpage), and soiling. The initial results for contemporary lens- and material-specimens aged cumulatively to 6 months are presented. The study here uses an environmental chamber equipped with a xenon-arc lamp to age specimens at least 8x the nominal field rate. A broad range in the affected characteristics (including optical transmittance, yellowness index, mass loss, and contact angle) has been observed to date, depending on the formulation of PMMA used. The most affected specimens are further examined in terms of their visual appearance, surface roughness (examined via atomic force microscopy), and molecular structure (via Fourier transform infrared spectroscopy).

Miller, D. C.; Gedvilas, L. M.; To, B.; Kennedy, C. E.; Kurtz, S. R.

2010-08-01T23:59:59.000Z

194

Association Behavior of Poly(methacrylic acid)-block-Poly(methyl methacrylate) in Aqueous Medium: Potentiometric and Laser Light Scattering Studies  

E-Print Network (OSTI)

Atom transfer radical polymerisation (ATRP) technique was used to synthesize poly(methacrylic acid-block-methyl methacrylate) (P(MAA???-b-MMA??)) copolymer in order to study the aggregation behavior in aqueous solution ...

Palaniswamy, R.

195

Lipid Analysis and Lipidomics: New Techniques & Application-Ch 6Structural Analysis of Unsaturated Fatty Acid Methyl Ester Isomers with Acetonitrile Covalent Adduct Chemical Ionization  

Science Conference Proceedings (OSTI)

Lipid Analysis and Lipidomics: New Techniques & Application-Ch 6 Structural Analysis of Unsaturated Fatty Acid Methyl Ester Isomers with Acetonitrile Covalent Adduct Chemical Ionization Methods and Analyses eChapters Methods - Analyses Book

196

Advances in Conjugated Linoleic Acid Research, Volume 3Chapter 6 Structural Characterization of CLA Methyl Esters with Acetonitrile Chemical Ionization Tandem Mass Spectrometry  

Science Conference Proceedings (OSTI)

Advances in Conjugated Linoleic Acid Research, Volume 3 Chapter 6 Structural Characterization of CLA Methyl Esters with Acetonitrile Chemical Ionization Tandem Mass Spectrometry Health Nutrition Biochemistry eChapters Health - Nutrition

197

Laboratory and tentative interstellar detection of trans-methyl formate using the publicly available Green Bank Telescope PRIMOS survey  

E-Print Network (OSTI)

The rotational spectrum of the higher-energy trans conformational isomer of methyl formate has been assigned for the first time using several pulsed-jet Fourier transform microwave spectrometers in the 6-60 GHz frequency range. This species has also been sought toward the Sagittarius B2(N) molecular cloud using the publicly available PRIMOS survey from the Green Bank Telescope. We detect seven absorption features in the survey that coincide with laboratory transitions of trans-methyl formate, from which we derive a column density of 3.1 (+2.6, -1.2) \\times 10^13 cm-2 and a rotational temperature of 7.6 \\pm 1.5 K. This excitation temperature is significantly lower than that of the more stable cis conformer in the same source but is consistent with that of other complex molecular species recently detected in Sgr B2(N). The difference in the rotational temperatures of the two conformers suggests that they have different spatial distributions in this source. As the abundance of trans-methyl formate is far higher ...

Neill, Justin L; Zaleski, Daniel P; Steber, Amanda L; Pate, Brooks H; Lattanzi, Valerio; Spezzano, Silvia; McCarthy, Michael C; Remijan, Anthony J

2012-01-01T23:59:59.000Z

198

Photochemistry of Methyl Bromide on the ?-Cr2O3(0001) Surface  

Science Conference Proceedings (OSTI)

The photochemical properties of the Cr-terminated ?-Cr2O3(0001) surface were explored using methyl bromide (CH3Br) as a probe molecule. CH3Br adsorbed and desorbed molecularly from the Cr-terminated ?-Cr2O3(0001) surface without detectable thermal decomposition. Temperature programmed desorption (TPD) revealed a CH3Br desorption state at 240 K for coverages up to 0.5 ML, followed by more weakly bound molecules desorbing at 175 K for coverages up to 1 ML. Multilayer exposures led to desorption at ~130 K. The CH3Br sticking coefficient was unity at 105 K for coverages up to monolayer saturation, but decreased as the multilayer formed. In contrast, pre-oxidation of the surface (using an oxygen plasma source) led to capping of surface Cr3+ sites and near complete removal of CH3Br TPD states above 150 K. The photochemistry of chemisorbed CH3Br was explored on the Cr-terminated surface using post-irradiation TPD and photon stimulated desorption (PSD). Irradiation of adsorbed CH3Br with broad band light from a Hg arc lamp resulted in both photodesorption and photodecomposition of the parent molecule at a combined cross section of ~10-22 cm2. Parent PSD was indicative of molecular photodesorption, but CH3 was also detected in PSD and Br atoms were left on the surface, both reflective of photo-induced CH3-Br bond dissociation. Use of a 385 nm cut-off filter effectively shut down the photodissociation pathway but not the parent molecule photodesorption process. From these observations it is inferred that d-to-d transitions in ?-Cr2O3, occurring at photon energies <3 eV, are not responsible for photodecomposition of 2 adsorbed CH3Br. It is unclear to what extent band-to-band versus direct CH3Br photolysis play in CH3-Br bond dissociation initiated by more energetic photons.

Henderson, Michael A.

2010-09-30T23:59:59.000Z

199

Microhydration Effects on the Intermediates of the SN2 Reacation of Iodide Anion with Methyl Iodine  

SciTech Connect

Reactions of halide anions with methyl halides (X- + CH3Y ? XCH3 + Y-) are bimolecular nucleophilic substitution (SN2) reactions that have been well investigated in the last few decades.[1] Figure 1 shows typical potential energy surfaces (PESs) proposed for symmetric (X- + CH3X ? XCH3 + X-) SN2 reactions along the reaction coordinate. In the gas phase, the PES has two minima corresponding to the stable X-(CH3X) complexes.[2] The PES is substantially distorted by the solvation. Since the negative charge is delocalized over the [X•••CH3•••X]- moiety at the transition state the stabilization energy gained by the solvation is smaller for the transition state than that for the (X- + CH3X) reactants or the X- (CH3X) complexes. In solution, a large potential barrier exists between the reactants and products. The rate constants of these reactions in protic solvents were reported to be a few orders of magnitude smaller than those in aprotic solvents; this trend was explained by the formation of solvation shells of protic molecules around the halide anions.[1,3] Morokuma has previously reported a theoretical study on the PES of the (Cl- + CH3Cl ? ClCH3 + Cl-) SN2 reaction with a few H2O molecules. The attachment of H2O molecules to the Cl-(CH3Cl) reactive system produces metastable isomers, which affect the reaction mechanism.[4] Johnson and coworkers extensively investigated the structure and reactions of halide anion complexes in the gas phase using photodissociation spectroscopy.

Doi, Keisuke; Togano, Eijiro; Xantheas, Sotiris S.; Nakanishi, Ryuzo; Nagata, Takashi; Ebata, Takayuki; Inokuchi, Yoshiya

2013-04-15T23:59:59.000Z

200

Photodissociation of methyl iodide adsorbed on low-temperature amorphous ice surfaces  

SciTech Connect

Photodissociation dynamics of methyl iodide (CH{sub 3}I) adsorbed on both amorphous solid water (ASW) and porous amorphous solid water (PASW) has been investigated. The ejected ground-state I({sup 2}P{sub 3/2}) and excited-state I({sup 2}P{sub 1/2}) photofragments produced by 260- and 290-nm photons were detected using laser resonance-enhanced multiphoton ionization. In contrast to gas-phase photodissociation, (i) the I({sup 2}P{sub 3/2}) photofragment is favored compared to I({sup 2}P{sub 1/2}) at both wavelengths, (ii) I({sup 2}P{sub 3/2}) and I({sup 2}P{sub 1/2}) have velocity distributions that depend upon ice morphology, and (iii) I{sub 2} is produced on ASW. The total iodine [I({sup 2}P{sub 3/2})+I({sup 2}P{sub 1/2})+I{sub 2}] yield varies with substrate morphology, with greater yield from ASW than PASW using both 260- and 290-nm photons. Temperature-programmed desorption studies demonstrate that ice porosity enhances the trapping of adsorbed CH{sub 3}I, while pore-free ice likely allows monomer adsorption and the formation of two-dimensional CH{sub 3}I clusters. Reactions or collisions involving these clusters, I atomic fragments, or I-containing molecular fragments at the vacuum-surface interface can result in I{sub 2} formation.

DeSimone, Alice J.; Olanrewaju, Babajide O.; Grieves, Gregory A. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States); Orlando, Thomas M. [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States); School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

2013-02-28T23:59:59.000Z

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

Methyl-parathion decreases sperm function and fertilization capacity after targeting spermatocytes and maturing spermatozoa  

Science Conference Proceedings (OSTI)

Paternal germline exposure to organophosphorous pesticides (OP) has been associated with reproductive failures and adverse effects in the offspring. Methyl parathion (Me-Pa), a worldwide-used OP, has reproductive adverse effects and is genotoxic to sperm. Oxidative damage has been involved in the genotoxic and reproductive effects of OP. The purpose of this study was to determine the effects of Me-Pa on spermatozoa function and ability to fertilize. Male mice were exposed to Me-Pa (20 mg/kg bw, i.p.) and spermatozoa from epididymis-vas deferens were collected at 7 or 28 days post-treatment (dpt) to assess the effects on maturing spermatozoa and spermatocytes, respectively. DNA damage was evaluated by nick translation (NT-positive cells) and SCSA (percentDFI); lipoperoxidation (LPO) by malondialdehyde production; sperm function by spontaneous- and induced-acrosome reactions (AR); mitochondrial membrane potential (MMP) by using the JC-1 flurochrome; and, fertilization ability by an in vitro assay and in vivo mating. Results showed alterations in DNA integrity (percentDFI and NT-positive cells) at 7 and 28 dpt, in addition to decreased sperm quality and a decrease in induced-AR; reduced MMP and LPO was observed only at 7 dpt. We found negative correlations between LPO and all sperm alterations. Altered sperm functional parameters were associated with reduced fertilization rates at both times, evaluated either in vitro or in vivo. These results show that Me-Pa exposure of maturing spermatozoa and spermatocytes affects many sperm functional parameters that result in a decreased fertilizing capacity. Oxidative stress seems to be a likely mechanism ofthe detrimental effects of Me-Pa in male germ cells.

Pina-Guzman, Belem; Sanchez-Gutierrez, M.; Marchetti, Francesco; Hernandez-Ochoa, I.; Solis-Heredia, M.J .; Quintanilla-Vega, B.

2009-05-03T23:59:59.000Z

202

High Temperature, Low Relative Humidity, Polymer-type Membranes Based on Disulfonated Poly(arylene ether) Block and Random Copolymers Optionally Incorporating Protonic Conducting Layered Water insoluble Zirconium Fillers  

DOE Green Energy (OSTI)

Our research group has been engaged in the past few years in the synthesis of biphenol based partially disulfonated poly(arylene ether sulfone) random copolymers as potential PEMs. This series of polymers are named as BPSH-xx, where BP stands for biphenol, S stands for sulfonated, H stands for acidified and xx represents the degree of disulfonation. All of these sulfonated copolymers phase separate to form nano scale hydrophilic and hydrophobic morphological domains. The hydrophilic phase containing the sulfonic acid moieties causes the copolymer to absorb water. Water confined in hydrophilic pores in concert with the sulfonic acid groups serve the critical function of proton (ion) conduction and water transport in these systems. Both Nafion and BPSH show high proton conductivity at fully hydrated conditions. However proton transport is especially limited at low hydration level for the BPSH random copolymer. It has been observed that the diffusion coefficients of both water and protons change with the water content of the pore. This change in proton and water transport mechanisms with hydration level has been attributed to the solvation of the acid groups and the amount of bound and bulk-like water within a pore. At low hydration levels most of the water is tightly associated with sulfonic groups and has a low diffusion coefficient. This tends to encourage isolated domain morphology. Thus, although there may be significant concentrations of protons, the transport is limited by the discontinuous morphological structure. Hence the challenge lies in how to modify the chemistry of the polymers to obtain significant protonic conductivity at low hydration levels. This may be possible if one can alter the chemical structure to synthesize nanophase separated ion containing block copolymers. Unlike the BPSH copolymers, where the sulfonic acid groups are randomly distributed along the chain, the multiblock copolymers will feature an ordered sequence of hydrophilic and hydrophobic segments. If, like in Nafion, connectivity is established between the hydrophilic domains in these multiblock copolymers, they will not need as much water, and hence will show much better protonic conductivity than the random copolymers (with similar degree of sulfonation, or IEC) at partially hydrated conditions. The goal of this research is to develop a material suitable for use as a polymer electrolyte membrane which by the year 2010 will meet all the performance requirements associated with fuel cell operation at high temperatures and low relative humidity, and will out-perform the present standard Nafion{reg_sign}. In particular, it is our objective to extend our previous research based on the use of thermally, oxidatively, and hydrolytically, ductile, high Tg ion containing polymers based on poly(arylene ethers) to the production of polymer electrolyte membranes which will meet all the performance requirements in addition to having an areal resistance of < 0.05 ohm-cm{sup 2} at a temperature of up to 120 C, relative humidity of 25 to 50%, and up to 2.5 atm total pressure. In many instances, our materials already out performs Nafion{reg_sign}, and it is expected that with some modification by either combining with conductive inorganic fillers and/or synthesizing as a block copolymer it will meet the performance criteria at high temperatures and low relative humidity. A key component in improving the performance of the membranes (and in particular proton conductivity) and meeting the cost requirements of $40/m{sup 2} is our development of a film casting process, which shows promise for generation of void free thin films of uniform thickness with controlled polymer alignment and configuration.

McGrath, James E.; Baird, Donald G.

2010-06-03T23:59:59.000Z

203

Weak maser emission of methyl formate toward Sagittarius B2(N) in the Green Bank Telescope PRIMOS Survey  

E-Print Network (OSTI)

A non-LTE radiative transfer treatment of cis-methyl formate (HCOOCH3) rotational lines is presented for the first time using a set of theoretical collisional rate coefficients. These coefficients have been computed in the temperature range 5-30 K by combining coupled-channel scattering calculations with a high accuracy potential energy surface for HCOOCH3-He. The results are compared to observations toward the Sagittarius B2(N) molecular cloud using the publicly available PRIMOS survey from the Green Bank Telescope. A total of 49 low-lying transitions of methyl formate, with upper levels below 25 K, are identified. These lines are found to probe a presumably cold (~30 K), moderately dense (~1e4 cm-3) and extended region surrounding Sgr B2(N). The derived column density of ~4e14 cm-2 is only a factor of ~10 larger than the column density of the trans conformer in the same source. Provided that the two conformers have the same spatial distribution, this result suggests that strongly non-equilibrium processes m...

Faure, Alexandre; Szalewicz, Krzysztof; Wiesenfeld, Laurent

2014-01-01T23:59:59.000Z

204

Polybrominated dibenzo-p-dioxins/dibenzofurans and polybrominated diphenyl ethers in soil, vegetation, workshop-floor dust, and electronic shredder residue from an electronic waste recycling facility and in soils from a chemical industrial complex in eastern China  

SciTech Connect

In this study, 11 2,3,7,8-substituted PBDD/Fs and 10 polybrominated diphenyl ether (PBDE) congeners were determined in electronic shredder waste, workshop-floor dust, soil, and leaves (of plants on the grounds of the facility) from a large-scale electronic wastes (e-waste) recycling facility and in surface soil from a chemical-industrial complex (comprising a coke-oven plant, a coal-fired power plant, and a chlor-alkali plant) as well as agricultural areas in eastern China. Total PBDD/F concentrations in environmental samples were in the range of 113-818 pg/g dry wt (dw) for leaves, 392-18,500 pg/g dw for electronic shredder residues, 716-80,0000 pg/g dw for soil samples, and 89,600-14,3000 pg/g dw for workshop-floor dust from the e-waste recycling facility and in a range from nondetect (ND) to 427 pg/g dw in soil from the chemical-industrial complex. The highest mean concentrations of total PBDD/Fs were found in soil samples and workshop-floor dust from the e-waste recycling facility. The dioxin-like toxic equivalent (measured as TEQ) concentrations of PBDD/Fs were greater than the TEQs of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) reported in our previous study for the same set of samples. The concentrations of PBDFs were several orders of magnitude higher than the concentrations of PBDDs in samples from the e-waste facility or from soil from the chemical-industrial complex. A significant correlation was found between the concentrations of {Sigma}PBDD/Fs and {Sigma}PBDEs (r = 0.769, p < 0.01) and between SPBDD/Fs and the previously reported SPCDD/F concentrations (r = 0.805, p < 0.01). The estimated daily human intakes of TEQs contributed by PBDD/Fs via soil/dust ingestion and dermal exposures in e-waste recycling facilities were higher than the intakes of TEQs contributed by PCDD/Fs, calculated in our previous study. 45 refs., 2 figs., 2 tabs.

Jing Ma; Rudolf Addink; Sehun Yun; Jinping Cheng; Wenhua Wang; Kurunthachalam Kannan [Shanghai Jiao Tong University, Shanghai (China). School of Environmental Science and Engineering

2009-10-01T23:59:59.000Z

205

Experimental investigation of size effect on thermal conductivity for ultra-thin amorphous poly(methyl methacrylate) (PMMA) films  

E-Print Network (OSTI)

An investigation was conducted to determine whether a “size effect” phenomenon for one particular thermophysical property, thermal conductivity, actually exists for amorphous poly(methyl methacrylate) (PMMA) films with thicknesses ranging from 40 nm to 2 ?m. This was done by using a non-contact, non-invasive, in-situ Transient Thermo-Reflectance (TTR) laser based technique. The results demonstrated that the intrinsic thermal conductivity of a 40 nm PMMA film deposited on native oxide of silicon increases by a factor of three over bulk PMMA values, and a distinct increase in the thermal conductivity of PMMA film was observed in ultra-thin (sub 100 nm) films. This confirmed the importance of film thickness for the through-plane thermal conductivity value of PMMA film on native oxide of silicon.

Kim, Ick Chan

2007-05-01T23:59:59.000Z

206

Copper(II) bis [2-((E)-2-(pyrid-2-yl)ethylimino)methyl)-6-bromo-4-chlorophenolate  

Science Conference Proceedings (OSTI)

A new complex CuL{sub 2} [HL = 2-((E)-(2-(pyridin-2-yl)ethylimino)methyl)-6-bromo-4-chlorophenol] was synthesized, and its structure (C{sub 28}H{sub 22}Br{sub 2}Cl{sub 2}CuN{sub 4}O{sub 2}, Mr = 740.76) was determined by single-crystal X-ray diffraction analysis. The crystal belongs to the triclinic system, space group P1{sup -}, with a = 5.157(6), b = 12.090(1), c =12.310(1) A, {alpha} = 113.962(2) Degree-Sign , {beta} = 96.7910(10) Degree-Sign , {gamma} = 90.0300(10) Degree-Sign , V = 695.4(8) A{sup 3}, Z = 1, R = 0.0481. The complex molecules are linked via the weak C-H...N hydrogen bonds, leading to the formation of one dimension (1D) chains along the a axis.

Zhang, X. L., E-mail: zhangxinli6008@163.com [Baoji University of Arts and Sciences, Department of Chemistry and Chemical Engineering (China)

2013-01-15T23:59:59.000Z

207

(E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol: X-ray and DFT-calculated structures  

SciTech Connect

The crystal structure of (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has a strong intramolecular O-H-N hydrogen bond and three dimensional crystal structure is primarily determined by C-H-{pi} and weak van der Waals interactions. The strong O-H-N bond is an evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry is calculated with DFT at the B3LYP/6-31G(d,p) level. The IR spectra of compound were recorded experimentally and calculated to compare with each other. The results from both experiment and theoretical calculations are compared in this study.

Kosar, B., E-mail: bkosar@omu.edu.tr; Albayrak, C. [Sinop University, Faculty of Education (Turkey); Odabasoglu, M. [Pamukkale University, Chemistry Program (Turkey); Bueyuekguengoer, O. [Ondokuz Mayis University, Faculty of Arts and Sciences (Turkey)

2010-12-15T23:59:59.000Z

208

In situ synthesis of poly (methyl methacrylate)/SiO2 hybrid nanocomposites via "Grafting Onto" strategy based on UV irradiation in the presence of iron aqueous solution  

Science Conference Proceedings (OSTI)

Poly(methyl methacrylate)/SiO2 (PMMA/SiO2) hybrid composites were prepared via "grafting onto" strategy based on UV irradiation in the presence of iron aqueous solution. Two steps were used to graft polymethyl methacrylate (PMMA) ...

Hong Zhang; Chao Li; Jinshan Guo; Limin Zang; Jiahe Luo

2012-01-01T23:59:59.000Z

209

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlar  

E-Print Network (OSTI)

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal Prasenjit Seal, Ewa-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene J. Chem. Phys. 136, and butanal Prasenjit Seal, Ewa Papajak, Tao Yu, and Donald G. Truhlara) Department of Chemistry

Truhlar, Donald G

210

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

211

Development of alternative fuels from coal derived syngas. Topical report: Task 2.2, Demonstration of a one-step slurry-phase process for the production of dimethyl ether/methanol mixtures at the LaPorte Alternative Fuels Development Unit  

SciTech Connect

This report documents engineering, modification, and operations efforts of demonstration of dimethyl-ether/methanol coproduction in a slurry-phase reactor, carried out in a 2-ft diameter bubble column reactor. Equipment modifications made it possible to remove the product DME and by-product CO{sub 2} from the reactor effluent. Coproduction of dimethyl-ether (DME) and methanol (MeOH) was accomplished in the slurry reactor by physically mixing two different catalysts. The catalyst used to produce MeOH from syngas was manufactured by BASF (type S3-86); the catalyst used to convert MeOH to DME was Catapal {gamma}-alumina. Ratio of MeOH to DME catalysts determined the selectivity towards DME. The demonstration sought to study effect of cocatalyst ratio on product selectivity. Three different proportions of DME catalyst were examined: 0, 6.6, and 19.3 wt % alumina. At each catalyst proportion, the plant was operated at two different gas space velocities. Some process variables were maintained at fixed conditions; most important variables included: reactor temperature (482F), reactor pressure (750 psig), and reactor feed gas composition (35% H{sub 2}, 51% CO,13% CO{sub 2} 1% other, nominal-molar basis).

1993-06-01T23:59:59.000Z

212

Sealed Gravitational Capillary Viscometry of Dimethyl Ether ...  

Science Conference Proceedings (OSTI)

... Huber, and MO McLinden, NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties-REFPROP, Version ...

2012-11-26T23:59:59.000Z

213

Sealed Gravitational Capillary Viscometry of Dimethyl Ether ...  

Science Conference Proceedings (OSTI)

... RF Hafer, Viscosity of Fluorinated Propane Isomers. ... EW Lemmon, An Equation of State for the ... Dense Fluids, Plenum Press, New York and London ...

2013-12-11T23:59:59.000Z

214

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

215

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 ...

216

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 ...

217

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

218

Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure  

DOE Green Energy (OSTI)

The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C{sub 3}H{sub 12}N{sub 12}O{sub 2} (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray diffraction and Raman and infrared spectroscopy. A stiffening of the equation of state and concomitant structural relaxation between 6 and 14 GPa are found to correlate with Raman mode disappearances, frequency discontinuities, and changes in the pressure dependence of modes. These observations manifest the occurrence of a reversible martensitic structural transformation to a new crystalline phase. The onset and vanishing of Fermi resonance in the nitrimine group correlate with the stiffening of the equation of state and phase transition, suggesting a possible connection between these phenomena. Beyond 15 GPa, pressure induces irreversible chemical reactions, culminating in the formation of a polymeric phase by 60 GPa.

McWilliams, R. Stewart; Kadry, Yasmin; Mahmood, Mohammad F.; Goncharov, Alexander F.; Ciezak-Jenkins, Jennifer (Howard); (CIW); (USARL)

2012-12-10T23:59:59.000Z

219

Dose-response analysis of infants prenatally exposed to methyl mercury: An application of a single compartment model to single-strand hair analysis  

Science Conference Proceedings (OSTI)

A new method of estimating fetal exposure is used in a dose-response analysis of data from the 1971 outbreak of methyl mercury poisoning in rural Iraq. An X-ray fluorescence instrument for the measurement of single strands of human hair was employed to obtain longitudinal profiles recapitulating fetal exposure. Logit and hockey-stick models as well as nonparametric smoothing are used to describe data on delayed development and central nervous system abnormality.

Cox, C.; Clarkson, T.W.; Marsh, D.O.; Amin-Zaki, L.; Tikriti, S.; Myers, G.G. (Univ. of Rochester School of Medicine, New York, NY (USA))

1989-08-01T23:59:59.000Z

220

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

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


221

Formation of methyl ester of 2-methylglyceric acid from thymine glycol residues: a convenient new method for determining radiation damage to DNA  

Science Conference Proceedings (OSTI)

Thymine glycol residues in DNA or thymidine were converted to methyl 2-methylglycerate by reaction with alkaline borohydride followed by methanolic HCl. The product was labeled either from (/sup 3/H)DNA or from (/sup 3/H)borohydride and was followed by cochromatography with authentic /sup 14/C-labeled material. Following acid hydrolysis, the identity of 2-methylglyceric acid was confirmed by high-resolution mass spectrometry, NMR, IR, and elemental analysis. Treatment of DNA or thymidine with X-irradiation, with H/sub 2/O/sub 2/ and Fe/sup 2 +/, with H/sub 2/O/sub 2/, Cu/sup 2 +/, and ascorbate, and with H/sub 2/O/sub 2/ and ultraviolet light, permanganate, or sonication all produced methyl 2-methylglycerate in varying amounts after alkaline borohydride and methanolic HCl, whereas untreated DNA did not. The data indicate that certain oxidants including hydroxyl radicals generated by chemical means or from radiolysis of water convert thymine residues to thymine glycols in DNA, which can be determined as methyl 2-methylglycerate.

Schellenberg, K.A.; Shaeffer, J.

1986-04-08T23:59:59.000Z

222

Accurate and Reliable Quantification of Total Microalgal Fuel Potential as Fatty Acid Methyl Esters by in situ Transesterfication  

DOE Green Energy (OSTI)

In the context of algal biofuels, lipids, or better aliphatic chains of the fatty acids, are perhaps the most important constituents of algal biomass. Accurate quantification of lipids and their respective fuel yield is crucial for comparison of algal strains and growth conditions and for process monitoring. As an alternative to traditional solvent-based lipid extraction procedures, we have developed a robust whole-biomass in situ transesterification procedure for quantification of algal lipids (as fatty acid methyl esters, FAMEs) that (a) can be carried out on a small scale (using 4-7 mg of biomass), (b) is applicable to a range of different species, (c) consists of a single-step reaction, (d) is robust over a range of different temperature and time combinations, and (e) tolerant to at least 50% water in the biomass. Unlike gravimetric lipid quantification, which can over- or underestimate the lipid content, whole biomass transesterification reflects the true potential fuel yield of algal biomass. We report here on the comparison of the yield of FAMEs by using different catalysts and catalyst combinations, with the acid catalyst HCl providing a consistently high level of conversion of fatty acids with a precision of 1.9% relative standard deviation. We investigate the influence of reaction time, temperature, and biomass water content on the measured FAME content and profile for 4 different samples of algae (replete and deplete Chlorella vulgaris, replete Phaeodactylum tricornutum, and replete Nannochloropsis sp.). We conclude by demonstrating a full mass balance closure of all fatty acids around a traditional lipid extraction process.

Laurens, L. M. L.; Quinn, M.; Van Wychen, S.; Templeton, D. W.; Wolfrum, E. J.

2012-04-01T23:59:59.000Z

223

Acid-base properties, deactivation, and in situ regeneration of condensation catalysts for synthesis of methyl methacrylate  

SciTech Connect

Condensation reaction of a propionate with formaldehyde is a novel route for synthesis of methyl methacrylate (MMA). The reaction mechanism involves a proton abstraction from the propionate on the basic sites and activation of the aliphatic aldehyde on the acidic sites of the catalyst. The acid-base properties of ternary V-Si-P oxide catalysts and their relation to the NWA yield in the vapor phase condensation of formaldehyde with propionic anhydride has been studied for the first time. Five different V-Si-P catalysts with different atomic ratios of vanadium, silicon, and phosphorous were synthesized, characterized, and tested in a fixed-bed microreactor system. A V-Si-P 1:10:2.8 catalyst gave the maximum condensation yield of 56% based on HCHO fed at 300{degrees}C and 2 atm and at a space velocity of 290 cc/g cat{center_dot}h. A parameter called the ``q-ratio`` has been defined to correlate the condensation yields to the acid-base properties. The correlation of q-ratio with the condensation yield shows that higher q-ratios are more desirable. The long-term deactivation studies on the V-Si-P 1: 10:2.8 catalyst at 300{degrees}C and 2 atm and at a space velocity of 290 cc/g cat{center_dot}h show that the catalyst activity drops by a factor of nearly 20 over a 180 h period. The activity can be restored to about 78% of the initial activity by a mild oxidative regeneration at 300{degrees}C and 2 atm. The performance of V-Si-P catalyst has been compared to a Ta/SiO{sub 2} catalyst. The Ta- catalyst is more stable and has a higher on-stream catalyst life.

Gogate, M.R.; Spivey, J.J. [Reseach Triangle Institute, Research Triangle Institute, Research Triangle Park, NC (United States); Zoeller, J.R. [Eastman Chemical Co., Kingsport, TN (United States)

1996-12-31T23:59:59.000Z

224

INSIGHTS INTO SURFACE HYDROGENATION IN THE INTERSTELLAR MEDIUM: OBSERVATIONS OF METHANIMINE AND METHYL AMINE IN Sgr B2(N)  

SciTech Connect

Multiple observations of methanimine (CH{sub 2}NH) and methyl amine (CH{sub 3}NH{sub 2}) have been performed toward Sgr B2(N) at 1, 2, and 3 mm using the Submillimeter Telescope and the 12 m antenna of the Arizona Radio Observatory. In the frequency range 68-280 GHz, 23 transitions of CH{sub 2}NH and 170 lines of CH{sub 3}NH{sub 2} have been observed as individual, distinguishable features, although some are partially blended with other lines. For CH{sub 2}NH, the line profiles indicate V{sub LSR} = 64.2 {+-} 1.4 km s{sup -1} and {Delta}V{sub 1/2} = 13.8 {+-} 2.8 km s{sup -1}, while V{sub LSR} = 63.7 {+-} 1.6 km s{sup -1} and {Delta}V{sub 1/2} = 15.1 {+-} 3.0 km s{sup -1} for CH{sub 3}NH{sub 2}, parameters that are very similar to those of other organic species in Sgr B2(N). From these data, rotational diagrams were constructed for both species. In the case of CH{sub 2}NH, a rotational temperature of T{sub rot} = 44 {+-} 13 K and a column density of N{sub tot} = (9.1 {+-} 4.4) Multiplication-Sign 10{sup 14} cm{sup -2} were determined from the analysis. For CH{sub 3}NH{sub 2}, T{sub rot} = 159 {+-} 30 K and N{sub tot} = (5.0 {+-} 0.9) Multiplication-Sign 10{sup 15} cm{sup -2}, indicating that this species is present in much warmer gas than CH{sub 2}NH. The fractional abundances for CH{sub 2}NH and CH{sub 3}NH{sub 2} were established to be f (H{sub 2}) Almost-Equal-To 3.0 Multiplication-Sign 10{sup -10} and f (H{sub 2}) Almost-Equal-To 1.7 Multiplication-Sign 10{sup -9}, respectively. It has been proposed that CH{sub 2}NH is formed on grains via hydrogenation of HCN; further hydrogenation of CH{sub 2}NH on surfaces leads to CH{sub 3}NH{sub 2}. However, given the dissimilarity between the rotational temperatures and distributions of CH{sub 2}NH and CH{sub 3}NH{sub 2} in Sgr B2, it is improbable that these species are closely related synthetically, at least in this source. Both CH{sub 2}NH and CH{sub 3}NH{sub 2} are more likely created by neutral-neutral processes in the gas phase.

Halfen, D. T.; Ziurys, L. M. [Departments of Chemistry and Astronomy, Arizona Radio Observatory and Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States)] [Departments of Chemistry and Astronomy, Arizona Radio Observatory and Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States); Ilyushin, V. V., E-mail: halfendt@as.arizona.edu, E-mail: lziurys@as.arizona.edu [Institute of Radio Astronomy of the National Academy of Sciences Ukraine, Chervonopraporna 4, 61002 Kharkov (Ukraine)

2013-04-10T23:59:59.000Z

225

Discovery of 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a Novel and Potent Vascular Endothelial Growth Factor Receptor Inhibitor  

Science Conference Proceedings (OSTI)

Inhibition of the vascular endothelial growth factor (VEGF) signaling pathway has emerged as one of the most promising new approaches for cancer therapy. We describe herein the key steps starting from an initial screening hit leading to the discovery of pazopanib, N{sup 4}-(2,3-dimethyl-2H-indazol-6-yl)-N{sup 4}-methyl-N{sup 2}-(4-methyl-3-sulfonamidophenyl)-2,4-pyrimidinediamine, a potent pan-VEGF receptor (VEGFR) inhibitor under clinical development for renal-cell cancer and other solid tumors.

Harris, Philip A.; Boloor, Amogh; Cheung, Mui; Kumar, Rakesh; Crosby, Renae M.; Davis-Ward, Ronda G.; Epperly, Andrea H.; Hinkle, Kevin W.; Hunter, III, Robert N.; Johnson, Jennifer H.; Knick, Victoria B.; Laudeman, Christopher P.; Luttrell, Deirdre K.; Mook, Robert A.; Nolte, Robert T.; Rudolph, Sharon K.; Szewczyk, Jerzy R.; Truesdale, Anne T.; Veal, James M.; Wang, Liping; Stafford, Jeffrey A. (GSKNC)

2009-05-18T23:59:59.000Z

226

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

227

Methyl Vitamin B12 but not methylfolate rescues a motor neuron-like cell line from homocysteine-mediated cell death  

SciTech Connect

Homocysteine is an excitatory amino acid implicated in multiple diseases including amyotrophic lateral sclerosis (ALS). Information on the toxicity of homocysteine in motor neurons is limited and few studies have examined how this toxicity can be modulated. In NSC-34D cells (a hybrid cell line derived from motor neuron-neuroblastoma), homocysteine induces apoptotic cell death in the millimolar range with a TC{sub 50} (toxic concentration at which 50% of maximal cell death is achieved) of 2.2 mM, confirmed by activation of caspase 3/7. Induction of apoptosis was independent of short-term reactive oxygen species (ROS) generation. Methyl Vitamin B12 (MeCbl) and methyl tetrahydrofolate (MTHF), used clinically to treat elevated homocysteine levels, were tested for their ability to reverse homocysteine-mediated motor neuron cell death. MeCbl in the micromolar range was able to provide neuroprotection (2 h pretreatment prior to homocysteine) and neurorescue (simultaneous exposure with homocysteine) against millimolar homocysteine with an IC{sub 50} (concentration at which 50% of maximal cell death is inhibited) of 0.6 {mu}M and 0.4 {mu}M, respectively. In contrast, MTHF (up to 10 {mu}M) had no effect on homocysteine-mediated cell death. MeCbl inhibited caspase 3/7 activation by homocysteine in a time- and dose-dependent manner, whereas MTHF had no effect. We conclude that MeCbl is effective against homocysteine-induced cell death in motor neurons in a ROS-independent manner, via a reduction in caspase activation and apoptosis. MeCbl decreases Hcy induced motor neuron death in vitro in a hybrid cell line derived from motor neuron-neuroblastoma and may play a role in the treatment of late stage ALS where HCy levels are increased in animal models of ALS.

Hemendinger, Richelle A., E-mail: richelle.hemendinger@carolinashealthcare.org; Armstrong, Edward J.; Brooks, Benjamin Rix

2011-03-15T23:59:59.000Z

228

Comparative aromatic hydroxylation and N-demethylation of MPTP neurotoxin and its analogs, N-methylated {beta}-carboline and isoquinoline alkaloids, by human cytochrome P450 2D6  

Science Conference Proceedings (OSTI)

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin is a chemical inducer of Parkinson's disease (PD) whereas N-methylated {beta}-carbolines and isoquinolines are naturally occurring analogues of MPTP involved in PD. This research has studied the oxidation of MPTP by human CYP2D6 (CYP2D6*1 and CYP2D6*10 allelic variants) as well as by a mixture of cytochrome P450s-resembling HLM, and the products generated compared with those afforded by human monoamine oxidase (MAO-B). MPTP was efficiently oxidized by CYP2D6 to two main products: MPTP-OH (p-hydroxylation) and PTP (N-demethylation), with turnover numbers of 10.09 min{sup -1} and K {sub m} of 79.36 {+-} 3 {mu}M (formation of MPTP-OH) and 18.95 min{sup -1} and K {sub m} 69.6 {+-} 2.2 {mu}M (PTP). Small amounts of dehydrogenated toxins MPDP{sup +} and MPP{sup +} were also detected. CYP2D6 competed with MAO-B for the oxidation of MPTP. MPTP oxidation by MAO-B to MPDP{sup +} and MPP{sup +} toxins (bioactivation) was up to 3-fold higher than CYP2D6 detoxification to PTP and MPTP-OH. Several N-methylated {beta}-carbolines and isoquinolines were screened for N-demethylation (detoxification) that was not significantly catalyzed by CYP2D6 or the P450s mixture. In contrast, various {beta}-carbolines were efficiently hydroxylated to hydroxy-{beta}-carbolines by CYP2D6. Thus, N(2)-methyl-1,2,3,4-tetrahydro-{beta}-carboline (a close MPTP analog) was highly hydroxylated to 6-hydroxy-N(2)-methyl-1,2,3,4-tetrahydro-{beta}-carboline and a corresponding 7-hydroxy-derivative. Thus, CYP2D6 could participate in the bioactivation and/or detoxification of these neuroactive compounds by an active hydroxylation pathway. The CYP2D6*1 enzymatic variant exhibited much higher metabolism of both MPTP and N(2)-methyl-1,2,3,4-tetrahydro-{beta}-carboline than the CYP2D6*10 variant, highlighting the importance of CYP2D6 polymorphism in the oxidation of these toxins. Altogether, these results suggest that CYP2D6 can play an important role in the metabolic outcome of both MPTP and {beta}-carbolines.

Herraiz, Tomas [Spanish Council for Scientific Research. CSIC. Instituto de Fermentaciones Industriales, Juan de la Cierva 3, 28006, Madrid (Spain)]. E-mail: therraiz@ifi.csic.es; Guillen, Hugo [Spanish Council for Scientific Research. CSIC. Instituto de Fermentaciones Industriales, Juan de la Cierva 3, 28006, Madrid (Spain); Aran, Vicente J. [Spanish Council for Scientific Research. CSIC. Instituto de Quimica Medica. Juan de la Cierva 3, 28006. Madrid (Spain); Idle, Jeffrey R. [Institute of Pharmacology, 1st Faculty of Medicine Charles University. Albertov 4, 128 00 Prague 2 (Czech Republic); Gonzalez, Frank J. [Laboratory of Metabolism, National Cancer Institute, National Institutes of Health, Bethesda, MD 20892 (United States)

2006-11-01T23:59:59.000Z

229

Pharmacology, pharmacokinetics and metabolism of the dopamine receptor agonist 5-hydroxy-6-methyl-2-di-n-propylaminotetralin (DK-118) in the cat  

SciTech Connect

The dopamine receptor agonist 5-hydroxy-6-methyl-2-di-n-propylaminotetralin (DK-118) lowers blood pressure, heart rat and inhibits tachycardia induced in cats by electrical stimulation of sympathetic nerves innervating the heart. DK-118, unlike most of its chemically related dopaminergic analogs, exhibits a slow onset of activity suggesting that one or more metabolites of the drug may be responsible for its pharmacologic effects. The purpose of the work described in this thesis was to gain information regarding the possible bioactivation of DK-118 in cats. In one series of experiments, cats were pretreated with inhibitors of drug metabolism, metyrapone or SKF 525-A, and alterations of the pharmacologic effects of DK-118 determined. A high-performance liquid chromatography assay-using electrochemical detection was developed to quantify urine and plasma concentrations of DK-118 in control, metyrapone pretreated and SKF 525-A pretreated cats. Urinary metabolites of (/sup 14/C)DK-118 were identified employing HPLC, GC/MS and FAB/MS. Pharmacologic activity and receptor binding of selected metabolites were determined. Data presented in this thesis are consistent with the hypothesis that metabolites contribute to some of the pharmacologic effects of DK-118.

Koons, J.C.

1985-01-01T23:59:59.000Z

230

Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions  

Science Conference Proceedings (OSTI)

Phosphinoyl Grignard-based substitutions on 2,6-bis(chloromethyl)pyridine followed by N-oxidation of the intermediate 2,6-bis(phosphinoyl)methyl pyridine compounds with mCPBA give the target trifunctional ligands 2,6-bis[bis-(2-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine 1-oxide (2a) and 2,6-bis[bis-(3,5-bis-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine 1-oxide (2b) in high yields. The ligands have been spectroscopically characterized, the molecular structures confirmed by single crystal X-ray diffraction methods and the coordination chemistry surveyed with lanthanide nitrates. Single crystal X-ray diffraction analyses are described for the coordination complexes Nd(2a)(NO3)3, Nd(2a)(NO3)3 (CH3CN)0.5, Eu(2a)(NO3)3 and Nd(2b)(NO3)3 (H2O)1.25; in each case the ligand binds in a tridentate mode to the Ln(III) cation. These structures are compared with the structures found for lanthanide coordination complexes of the parent NOPOPO ligand, [Ph2P(O)CH2]2C5H3NO.

Pailloux, Sylvie [University of New Mexico, Albuquerque; Shirima, Cornel Edicome [University of New Mexico, Albuquerque; Ray, Alicia D. [University of New Mexico, Albuquerque; Duesler, Eileen N. [University of New Mexico, Albuquerque; Paine, Robert T. [University of New Mexico, Albuquerque; Klaehn, John D. [Idaho National Laboratory (INL); McIlwain, Michael E [Idaho National Laboratory (INL); Hay, Benjamin [ORNL

2009-01-01T23:59:59.000Z

231

The Influence of Linker Geometry on Uranyl Complexation by Rigidly-Linked Bis(3-hydroxy-N-methyl-pyridin-2-one)  

DOE Green Energy (OSTI)

A series of bis(3-hydroxy-N-methyl-pyridin-2-one) ligands was synthesized, and their respective uranyl complexes were characterized by single crystal X-ray diffraction analyses. These structures were inspected for high-energy conformations and evaluated using a series of metrics to measure co-planarity of chelating moieties with each other and the uranyl coordination plane, as well as to measure coordinative crowding about the uranyl dication. Both very short (ethyl, 3,4-thiophene and o-phenylene) and very long ({alpha},{alpha}{prime}-m-xylene and 1,8-fluorene) linkers provide optimal ligand geometries about the uranyl cation, resulting in planar, unstrained molecular arrangements. The planarity of the rigid linkers also suggests there is a degree of pre-organization for a planar coordination mode that is ideal for uranyl-selective ligand design. Comparison of intramolecular N{sub amide}-O{sub phenolate} distances and {sup 1}H NMR chemical shifts of amide protons supports earlier results that short linkers provide the optimal geometry for intramolecular hydrogen bonding.

Szigethy, Geza; Raymond, Kenneth

2010-04-22T23:59:59.000Z

232

Extractant composition including crown ether and calixarene extractants  

SciTech Connect

An extractant composition comprising a mixed extractant solvent consisting of calix[4] arene-bis-(tert-octylbenzo)-crown-6 ("BOBCalixC6"), 4',4',(5')-di-(t-butyldicyclo-hexano)-18-crown-6 ("DtBu18C6"), and at least one modifier dissolved in a diluent. The DtBu18C6 may be present at from approximately 0.01M to approximately 0.4M, such as at from approximately 0.086 M to approximately 0.108 M. The modifier may be 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol ("Cs-7SB") and may be present at from approximately 0.01M to approximately 0.8M. In one embodiment, the mixed extractant solvent includes approximately 0.15M DtBu18C6, approximately 0.007M BOBCalixC6, and approximately 0.75M Cs-7SB modifier dissolved in an isoparaffinic hydrocarbon diluent. The extractant composition further comprises an aqueous phase. The mixed extractant solvent may be used to remove cesium and strontium from the aqueous phase.

Meikrantz, David H. (Idaho Falls, ID); Todd, Terry A. (Aberdeen, ID); Riddle, Catherine L. (Idaho Falls, ID); Law, Jack D. (Pocalello, ID); Peterman, Dean R. (Idaho Falls, ID); Mincher, Bruce J. (Idaho Falls, ID); McGrath, Christopher A. (Blackfoot, ID); Baker, John D. (Blackfoot, ID)

2009-04-28T23:59:59.000Z

233

CHEMICAL COMPOSITION OF THE ESSENTIAL OIL AND ETHER ...  

Science Conference Proceedings (OSTI)

essential oil from R. rugosum was investigated for further development and application. The chemical and class composition of the oils are presented in Table 1.

234

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.

235

Direct Dimethyl Ether Polymer Electrolyte Fuel Cells for Portable Applications  

E-Print Network (OSTI)

. Kosek, C. Cropley, and A. LaConti, in Proceedings of the 32nd Intersociety Energy Conversion Engineering

236

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

237

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

238

Polygeneration Integration of Gasoline Synthesis and IGCC Power Production Using  

E-Print Network (OSTI)

gas produced by gasification in a gas turbine. This synthesis gas is also an excellent raw material for a gas turbine in a combined cycle power generation scheme. Coal Residue Gasification Gas Cleaning for chemicals production such as methanol, DiMethyl Ether (DME), gasoline, Synthetic Natural Gas (SNG), hydrogen

239

The Dependence of Donor:Acceptor Ratio on the Photovoltaic Performances of Blended poly (3-octylthiophene-2,5-diyl) and (6,6)-phenyl C{sub 71} butyric acid methyl ester Bulk Heterojunction Organic Solar Cells  

Science Conference Proceedings (OSTI)

Bulk heterojunction organic solar cells using blended poly (3-octylthiophene-2,5-diyl)(P3OT) and (6,6)-phenyl C{sub 71} butyric acid methyl ester (PC{sub 71}BM) have been fabricated. P3OT and PC{sub 71}BM were used as the electron donor (D) and acceptor (A), respectively. Both materials were mixed and dissolved in dichlorobenzene with three different D:A ratios i.e. 1:3, 1:1 and 3:1 (weight) while maintained at the concentration of 2 wt%(26 mg/ml). The blended thin films were sandwiched between the indium tin oxide (ITO) coated glass and the aluminum film. This paper reports the influence of donor:acceptor ratio on the performance of solar cell devices measured by current-voltage measurement both in the dark and under 1.5 AM solar illumination. It was found that all devices showed the photovoltaic effect with poor diode behavior and the donor:acceptor ratio significantly influenced on the performance of bulk heterojunction organic solar cells.

Fauzia, Vivi [Department of Physics, Faculty of Mathematics and Natural Sciences, University of Indonesia, Kampus UI Depok, Depok 16424 (Indonesia); Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Umar, Akrajas Ali; Salleh, Muhamad Mat [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Yahya, Muhammad [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

2010-10-24T23:59:59.000Z

240

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

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

242

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

243

Available Technologies: Bacterial Overproduction of Methyl Ketones ...  

u.s. department of energy • office of science • university of california. contact webmaster • comments • policy /privacy/security ...

244

Phytoremediation of Ionic and Methyl Mercury P  

DOE Green Energy (OSTI)

Our long-term goal is to enable highly productive plant species to extract, resist, detoxify, and/or sequester toxic heavy metal pollutants as an environmentally friendly alternative to physical remediation methods. We have focused this phytoremediation research on soil and water-borne ionic and methylmercury. Mercury pollution is a serious world-wide problem affecting the health of human and wild-life populations. Methylmercury, produced by native bacteria at mercury-contaminated wetland sites, is a particularly serious problem due to its extreme toxicity and efficient biomagnification in the food chain. We engineered several plant species (e.g., Arabidopsis, tobacco, canola, yellow poplar, rice) to express the bacterial genes, merB and/or merA, under the control of plant regulatory sequences. These transgenic plants acquired remarkable properties for mercury remediation. (1) Transgenic plants expressing merB (organomercury lyase) extract methylmercury from their growth substrate and degrade it to less toxic ionic mercury. They grow on concentrations of methylmercury that kill normal plants and accumulate low levels of ionic mercury. (2) Transgenic plants expressing merA (mercuric ion reductase) extract and electrochemically reduce toxic, reactive ionic mercury to much less toxic and volatile metallic mercury. This metal transformation is driven by the powerful photosynthetic reducing capacity of higher plants that generates excess NADPH using solar energy. MerA plants grow vigorously on levels of ionic mercury that kill control plants. Plants expressing both merB and merA degrade high levels of methylmercury and volatilize metallic mercury. These properties were shown to be genetically stable for several generations in the two plant species examined. Our work demonstrates that native trees, shrubs, and grasses can be engineered to remediate the most abundant toxic mercury pollutants. Building on these data our working hypothesis for the next grant period is that transgenic plants expressing the bacterial merB and merA genes will (a) remove mercury from polluted soil and water and (b) prevent methylmercury from entering the food chain. Our specific aims center on understanding the mechanisms by which plants process the various forms of mercury and volatilize or transpire mercury vapor. This information will allow us to improve the design of our current phytoremediation strategies. As an alternative to volatilizing mercury, we are using several new genes to construct plants that will hyperaccumulate mercury in above-ground tissues for later harvest. The Department of Energy's Oak Ridge National Laboratory and Brookhaven National Laboratory have sites with significant levels of mercury contamination that could be cleaned by applying the scientific discoveries and new phytoremediation technologies described in this proposal. The knowledge and expertise gained by engineering plants to hyperaccumulate mercury can be applied to the remediation of other heavy metals pollutants (e.g., arsenic, cesium, cadmium, chromium, lead, strontium, technetium, uranium) found at several DOE facilities.

Meagher, Richard B.

1999-06-01T23:59:59.000Z

245

Identifiable mercury methylation genes and enzymes ...  

be limited or unavailable. Patent applications directed towards this invention may not have been filed with any patent ... Disclosure Number 201202869 ...

246

Inter- and intracellular dynamics of DNA methylation  

E-Print Network (OSTI)

A. Spadola, E. Yuan, J. Kosek, L. Jiang, E. Hod, K. Li, V.A. Spadola, E. Yuan, J. Kosek, L. Jiang, E. Hod, K. Li, V.

Shoemaker, Robert Field

2010-01-01T23:59:59.000Z

247

DNA methylation in early mammalian development  

E-Print Network (OSTI)

All the cells in the body contain the same genome yet showcase drastically different phenotypes. This is the result of different transcriptional programs, which are partly controlled by epigenetic modifications, including ...

Chan, Michelle M. (Michelle Mei Wah)

2013-01-01T23:59:59.000Z

248

Phytogenic biosynthesis and emission of methyl acetate  

passing room air through a series of three high-purity hydro-carbon traps (Restek Inc., Bellefonte, PA, USA). ... Environmental Research of the U.S. Department of Energy

249

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

250

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

251

Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl Ether Mark W. Jarvis,*,  

E-Print Network (OSTI)

"Pyrolysis." In Biomass Handbook; C. W. Hall, ed. Gordon and Breach: New York, 1989; pp. 379-385. (with Pyrolysis of Biomass Derived Volatile Matter." In Fundamentals of Thermochemical Biomass Conversion; R. P. "Biomass Pyrolysis. A Review of the Literature - Part 1: Carbohydrate Pyrolysis." In Advances in Solar

Dean, Anthony M.

252

The potential for alcohols and related ethers to displace conventional gasoline components  

DOE Green Energy (OSTI)

The United States Department of Energy is required by law to determine the feasibility of producing sufficient replacement fuels to replace 30 percent of the projected United States consumption of motor fuels by light duty vehicles in the year 2010. A replacement fuel is a non-petroleum portion of gasoline, including alcohols, natural gas and certain other components. A linear program has been used to study refinery impacts for production of ``low petroleum`` gasolines, which contain replacement fuels. The analysis suggests that high oxygenation is the key to meeting the replacement fuel target, and major contributors to cost increase can include investment in processes to produce olefins for etherification with alcohols. High oxygenation can increase the costs of control of vapor pressure, distillation properties, and pollutant emissions of gasolines. Year-round low petroleum gasoline with near-30 percent non-petroleum might be produced with cost increases of 23 to 37 cents per gallon, with substantial decreases in greenhouse gas emissions in some cases. Cost estimates are sensitive to assumptions about extrapolation of a national model for pollutant emissions, availability of raw materials and other issues. Reduction in crude oil use, a major objective of the low petroleum gasoline program, is 10 to 17 percent in the analysis.

Hadder, G.R. [Oak Ridge National Lab., TN (United States); McNutt, B.D. [USDOE, Washington, DC (United States)

1996-02-01T23:59:59.000Z

253

Chlorine resistant desalination membranes based on directly sulfonated poly(arylene ether sulfone) copolymers  

Science Conference Proceedings (OSTI)

The present invention provides a membrane, kit, and method of making a hydrophilic-hydrophobic random copolymer membrane. The hydrophilic-hydrophobic random copolymer membrane includes a hydrophilic-hydrophobic random copolymer. The hydrophilic-hydrophobic random copolymer includes one or more hydrophilic monomers having a sulfonated polyarylsulfone monomer and a second monomer and one or more hydrophobic monomers having a non-sulfonated third monomer and a fourth monomer. The sulfonated polyarylsulfone monomer introduces a sulfonate into the hydrophilic-hydrophobic random copolymer prior to polymerization.

McGrath, James E. (Blacksburg, VA); Park, Ho Bum (Austin, TX); Freeman, Benny D. (Austin, TX)

2011-10-04T23:59:59.000Z

254

Cleaning Products and Air Fresheners: Emissions and Resulting Concentrations of Glycol Ethers and Terpenoids  

E-Print Network (OSTI)

include wood framing with plywood underlying the floor, twowith low-VOC paint. The plywood subfloor was covered with

Singer, Brett C.; Destaillat, Hugo; Hodgson, Alfred T.; Nazaroff, William W.

2005-01-01T23:59:59.000Z

255

Measurements of flatflame velocities of diethyl ether in air Fiona Gillespiea,b  

E-Print Network (OSTI)

is being drawn towards bioderived fuels, the most common of which is bioethanol. Bioethanol. %; however, bioethanol is produced primarily from food sources (corn, sugarcane, etc.) and its energy output to allow a sufficient flow of oxygen through the burner plate. Bronkhorst conversion coefficient factors

256

A New Biarylphosphine Ligand for the Pd-Catalyzed Synthesis of Diaryl Ethers under Mild Conditions  

E-Print Network (OSTI)

A new bulky biarylphosphine ligand (L8) has been developed that allows the Pd-catalyzed C–O cross-coupling of a wide range of aryl halides and phenols under milder conditions than previously possible. A direct correlation ...

Salvi, Luca

257

Anaerobic O-demethylation of phenylmethylethers  

DOE Green Energy (OSTI)

Anaerobic O-demethylation (AOD) of phenylmethylethers is a process of both basic and applied significance. The aryl-O-methyl ethers are abundant in natural products, particularly as components of lignin. They are present as methoxylated lignin monomers in anaerobic environments and can be completely degraded there by mixed microbial populations. AOD is an essential early step in this process, and it is also a key reaction in the utilization of the O-methyl substituent as a C-one substrate by acetogens. An understanding of the AOD reaction mechanism might suggest new ways in which chemicals could be derived from lignocellulosic materials. The biochemical mechanism for the anaerobic cleavage of the aryl-O-methyl ether bond is an intriguing, but relatively unexplored process. In contrast to aerobic O-demethylating enzymes, AOD appears to involve methyl group transfer. Thus, novel biochemical information on an important biotransformation reaction will be gained from the research proposed. Recently, we have shown that AOD activity is inducible and have developed an assay for detecting AOD activity in cell-free extracts of Acetobacterium woodii. AOD activity is stimulated in vitro by the addition of ATP (1mM) and pyruvate (30 mM), the K{sub M} for vanillate being 0.4 mM. In collaboration with protein purification experts, we proposed to purify the AOD enzyme and characterize the protein(s) and the enzymatic reaction involved. 8 figs., 5 tabs.

Frazer, A.C.; Young, L.Y.

1990-01-01T23:59:59.000Z

258

Children's residential exposures to flame retardants, pesticides and pesticide degradation products, and the relationship of pesticides with autonomic nervous system functioning  

E-Print Network (OSTI)

diphenyl ethers: a flame-retardant additive in severaldiphenyl ether (PBDE) flame retardants. Neurotoxicology. 28,diphenyl ethers: a flame-retardant additive in several

Quiros Alcala, Lesliam

2010-01-01T23:59:59.000Z

259

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

260

Table Definitions, Sources, and Explanatory Notes  

Gasoline and Diesel Fuel Update (EIA)

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

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

262

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

263

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

264

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

265

Asymmetric Hydrogenations of Chiral Acyclic Alkenes for Important Chiron Syntheses  

E-Print Network (OSTI)

Hydrogenation of "largely unfunctionalized" alkenes has been an active area of research for about a decade. Many catalysts have been prepared but we noticed that comparatively few substrates have been studied and none of these hydrogenations provided useful chirons for the organic synthesis area. That motivated us to investigate asymmetric hydrogenations of chiral acyclic alkenes, which are seldom used for hydrogenations and usually the reactions are fully substrate controlled. It emerged that such reactions could provide a concise entry points into chirons that can be used to prepare many natural products. Asymmetric hydrogenations of functionalized, but not coordinatively functionalized, alkenes have been used to prepare several chirons for syntheses ofpolyketide natural products using our N,carbene Crabtree's catalyst analog. Starting from optically active starting materials (eg Roche esters, lactic acid, glyceraldehyde dimethyl ketals, amino acids), highly optically active chiral alkenes can be made in several steps with high yield. With the iridium catalyzed asymmetric hydrogenations, chiral ethers, 1,3-hydroxymethyl chiron, alpha-methyl-beta-hydroxy-gamma-methyl chiron, alpha-methyl-gamma-alkyl-gamma-amino acid can be obtained with high stereoselectivities. With those well developed methodologies, (-)-dihydromyoporone, (-)-spongidepsin, (-)-invictolide have been prepared with high efficiency. Not like the vinyl acetate, which can be hydrogenated quite well with many Rh catalysts, the alkyl vinyl ether does not have a coordination functional group nearby, hence it is a difficult substrate for asymmetric hydrogenation and there are relatively few iv reports. Also the simple alkyl enol ether is quite acid sensitive and the Pfatlz's type N,PIr catalysts cannot hydrogenate the simple alkyl enol ethers well under the standard hydrogenation conditions. We explored many alkyl enol ethers and found some of them can be hydrogenated efficiently (50 bar H2, 1 mol percent N,carbene-Ir catalyst, 25 degree C) with high enantioselectivities (up to 98 percent ee). This study led us to suspect that more protons were produced when N,P-Ir catalyst precursors were used relative to the corresponding carbene catalyst since the former only gave complex mixture when being used. DF calculations and several other experiments supported this postulation.

Zhu, Ye

2011-05-01T23:59:59.000Z

266

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

267

Hybrid sol-gel optical materials  

DOE Patents (OSTI)

Hybrid sol-gel materials comprise silicate sols cross-linked with linear polysilane, polygermane, or poly(silane-germane). The sol-gel materials are useful as optical identifiers in tagging and verification applications and, in a different aspect, as stable, visible light transparent non-linear optical materials. Methyl or phenyl silicones, polyaryl sulfides, polyaryl ethers, and rubbery polysilanes may be used in addition to the linear polysilane. The linear polymers cross-link with the sol to form a matrix having high optical transparency, resistance to thermooxidative aging, adherence to a variety of substrates, brittleness, and a resistance to cracking during thermal cycling.

Zeigler, John M. (Albuquerque, NM)

1993-01-01T23:59:59.000Z

268

Hybrid sol-gel optical materials  

DOE Patents (OSTI)

Hybrid sol-gel materials comprise silicate sols cross-linked with linear polysilane, polygermane, or poly(silane-germane). The sol-gel materials are useful as optical identifiers in tagging and verification applications and, in a different aspect, as stable, visible light transparent non-linear optical materials. Methyl or phenyl silicones, polyaryl sulfides, polyaryl ethers, and rubbery polysilanes may be used in addition to the linear polysilane. the linear polymers cross-link with the sol to form a matrix having high optical transparency, resistance to thermooxidative aging, adherence to a variety of substrates, brittleness, and a resistance to cracking during thermal cycling. 3 figs.

Zeigler, J.M.

1990-02-13T23:59:59.000Z

269

Hybrid sol-gel optical materials  

DOE Patents (OSTI)

Hybrid sol-gel materials comprise silicate sols cross-linked with linear polysilane, polygermane, or poly(silane-germane). The sol-gel materials are useful as optical identifiers in tagging and verification applications and, in a different aspect, as stable, visible light transparent non-linear optical materials. Methyl or phenyl silicones, polyaryl sulfides, polyaryl ethers, and rubbery polysilanes may be used in addition to the linear polysilane. The linear polymers cross-link with the sol to form a matrix having high optical transparency, resistance to thermooxidative aging, adherence to a variety of substrates, brittleness, and a resistance to cracking during thermal cycling.

Zeigler, J.M.

1993-04-20T23:59:59.000Z

270

Hybrid sol-gel optical materials  

DOE Patents (OSTI)

Hybrid sol-gel materials comprise silicate sols cross-linked with linear polysilane, polygermane, or poly(silane-germane). The sol-gel materials are useful as optical identifiers in tagging and verification applications and, in a different aspect, as stable, visible light transparent non-linear optical materials. Methyl or phenyl silicones, polyaryl sulfides, polyaryl ethers, and rubbery polysilanes may be used in addition to the linear polysilane. The linear polymers cross-link with the sol to form a matrix having high optical transparency, resistance to thermooxidative aging, adherence to a variety of substrates, brittleness, and a resistance to cracking during thermal cycling.

Zeigler, John M. (Albuquerque, NM)

1992-01-01T23:59:59.000Z

271

Proceedings of the 1995 SAE alternative fuels conference. P-294  

Science Conference Proceedings (OSTI)

This volume contains 32 papers and five panel discussions related to the fuel substitution of trucks, automobiles, buses, cargo handling equipment, diesel passenger cars, and pickup trucks. Fuels discussed include liquefied natural gas, natural gas, ethanol fuels, methanol fuels, dimethyl ether, methyl esters from various sources (rape oil, used cooking oils, soya, and canola oils), hydrogen fuels, and biodiesel. Other topics include fuel cell powered vehicles, infrastructure requirements for fuel substitution, and economics. Papers have been processed separately for inclusion on the data base.

NONE

1995-12-31T23:59:59.000Z

272

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

273

Refiners look at H sub 2 SO sub 4 alkylation and catalytic reforming  

Science Conference Proceedings (OSTI)

Sulfuric acid alkylation and catalytic reforming drew many questions at the most recent National Petroleum Refiners Association (NPRA) question and answer session on refining and petrochemical technology. At this annual meeting, presubmitted questions are answered by a panel of experts. For more information on the meeting's format, see OGJ, Mar. 16, p. 37. This third and final article in the series of excerpts from the 1991 NPRA Q and A Session examines such pertinent alkylation topics as tertiary amyl methyl ether (TAME) raffinate processing and unit operation during acid runaway. Also discussed are skewed platinum/rhenium reforming catalyst and how catalyst life affects reformate aromatics levels.

Not Available

1992-04-27T23:59:59.000Z

274

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

275

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.

276

pH-sensitive methacrylic copolymer gels and the production thereof  

DOE Patents (OSTI)

The present invention provides novel gel forming methacrylic blocking copolymers that exhibit cationic pH-sensitive behavior as well as good water solubility. The copolymers are constructed by polymerization of a tertiary amine methacrylate with either a (poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide) polymer, such as the commercially available Pluronic.RTM. polymers, or a poly(ethylene glycol)methyl ether polymer. The polymers may be used for drug and gene delivery, protein separation, as structural supplements, and more.

Mallapragada, Surya K. (Ames, IA); Anderson, Brian C. (Lake Bluff, IA)

2007-05-15T23:59:59.000Z

277

Aggregation behavior of hexaoxyethyleneglycol myristate and hexaoxyethyleneglycol mono (1-methyltridecane) ether and dynamics of their micelles in aqueous solution  

Science Conference Proceedings (OSTI)

The title surfactants have similar critical micelle concentrations and cloud temperatures. Their micellar solutions have been investigated by time resolved fluorescence quenching in the range 2--25 c. The micelle aggregation numbers of both surfactants do not differ much, and increase with temperature. Aggregation numbers are large, suggesting anisotropic micelles, and the results show that the micelles are polydisperse. Fast intermicellar exchange of material becomes detectable on the fluorescence timescale ([approximately]1 [mu]s) above T [approx] 10 C, i.e., some 35--40 C below the cloud temperature of the solution. This exchange probably occurs via micelle collisions with temporary merging. Overall the behavior of these two surfactants is very similar to that of the other ethoxylated nonionic surfactants previously examined.

Alami, E.; Zana, R. (Inst. Charles Sadron, Strasbourg (France)); Van Os, N.M.; Jong, B. de; Kerkhof, F.J.M. (Koninklijke/Shell Lab., Amsterdam, (Netherlands)); Rupert, L.A.M. (Thornton Research Centre, Chester, (United Kingdom))

1993-10-01T23:59:59.000Z

278

Experimental Determinations of Henry's Law Constants of Polybrominated Diphenyl Ethers (PBDEs) to Evaluate Exposure to Aquatic Biota  

E-Print Network (OSTI)

correlated to the degree of chlorine substitution, PCB K Hincreased with ortho- chlorine substitution. In contrast,their high abundance. Both chlorine isotopes (amu 35 and 37)

Charles, M. Judith; Destaillats, Hugo

2005-01-01T23:59:59.000Z

279

Enantiomeric recognition of organic ammonium salts by chiral crown ethers based on the pyridino-18-crown-6 structure  

SciTech Connect

Enantiomeric recognition by several chiral dimethyl-substituted macrocycles of the pyridino-18-crown-6 type for chiral organic ammonium salts has been studied by titration calorimetry in CH/sub 3/OH, temperature-dependent /sup 1/H NMR spectroscopy in CD/sub 2/CL/sub 2/, and selective crystallization. Results from the three procedures are consistent in demonstrating either host-guest recognition or nonrecognition in the systems investigated. Futhermore, enaniomeric recognition by one chiral host for a pair of chiral guests is correlated with X-ray crystallographic data for the same system. The chiral dimethyl-substituted ligands used in the study include three dimethyl diester pyridino-18-crown-6 ligands, dimethyl thiono diester pyridino-18-crown-6, and dimethyl-pyridino-18-crown-6 ligands. All of these ligands exhibited chiral recognition. Dimethylpyridino-18-crown-6 in complexation with (R)- and (S)-(..cap alpha..-(1-naphthyl)ethyl)ammonium perchlorate exhibited the largest ratio of ..delta..G/sub c/+ yet observed by the /sup 1/H NMR technique. A diphenyl-substituted diester pyridino-18-crown-6 where the phenyl substituents are in less rigid portion of the macrocycle failed to show chiral recognition.

Davidson, R.B.; Bradshaw, J.S.; Jones, B.A.; Dalley, N.K.; Christensen, J.J.; Izatt, R.M.

1984-01-27T23:59:59.000Z

280

Alkaline-Side Extraction of Cesium from Savannah River Tank Waste Using a Calixarene-Crown Ether Extractant  

SciTech Connect

Results are presented supporting the viability of the alkaline-side CSEX process as a potential replacement for the In-Tank Precipitation process for removal of cesium from aqueous high-level waste (HLW) at the Savannah River Site (SRS). Under funding from the USDOE Efficient Separations and Crosscutting program, a flowsheet was suggested in early June of 1998, and in the following four months, this flowsheet underwent extensive testing, both in batch tests at ORNL and ANL and in two centrifugal-contactor tests at ANL. To carry out these tests, the initial ESP funding was augmented by direct funds from Westinghouse Savannah River Corporation. The flowsheet employed a solvent containing a calixarene-crown hybrid compound called BoBCalixC6 that was invented at ORNL and can now be obtained commercially for government use from IBC Advanced Technologies. This special extractant is so powerful and selective that it can be used at only 0.01 M, compensating for its expense, but a modifier is required for use in an aliphatic diluent, primarily to increase the cesium distribution ratio D{sub Cs} in extraction. The modifier selected is a relatively economical fluorinated alcohol called Cs3, invented at ORNL and so far available. only from ORNL. For the flowsheet, the modifier is used at 0.2 M in the branched aliphatic kerosene Isopar{reg_sign} L. Testing at ORNL and ANL involved simulants of the SRS HLW. After extraction of the Cs from the waste simulant, the solvent is scrubbed with 0.05 M HNO{sub 3} and stripped with a solution comprised of 0.0005 M HNO{sub 3} and 0.0001 M CsNO{sub 3}. The selection of these conditions is justified in this report, both on the basis of experimental data and underlying theory.

Bonnesen, P.V.; Delmau, L.H.; Haverlock, T.J.; Moyer, B.A.

1998-12-01T23:59:59.000Z

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


281

Synthesis and Characterization of Phenylethynyl Terminated Poly(arylene ether sulfone)s as Thermosetting Structural Adhesives and Composite Matrices.  

E-Print Network (OSTI)

??Abstract High temperature, solvent resistant materials which also display good mechanical properties are desired for use as aerospace structural adhesives and polymer matrix/carbon fiber composites.… (more)

Mecham, Sue Jewel

1998-01-01T23:59:59.000Z

282

DNA methylation age of human tissues and cell types  

E-Print Network (OSTI)

adipose) tissue from [72]. Data set 61 consists of humanheart tissue from [27]. Data set 62 consists of kidney (tissue from TCGA (KIRC). Data set 63 consists of liver (

Horvath, Steve

2013-01-01T23:59:59.000Z

283

Global methylation responses to low dose radiation exposure  

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

comprises a very large proportion of the mouse and human genomes. Using bisulphite modification and quantitative real-time PCR, the method can be used to analyse a very large pool...

284

Study of methyl group rotations and primary relaxation in poly ...  

Science Conference Proceedings (OSTI)

... experiment, we will start with a fixed window scan (FWS), covering the entire ... 4 K. The measurements performed here will cover a temperature ...

2013-04-02T23:59:59.000Z

285

Small RNAs, DNA methylation and transposable elements in wheat  

E-Print Network (OSTI)

reinhardtii by a DEAH-Box RNA helicase. Science 2000, 290:homolog of Werner syndrome helicase and RNaseD. Cell 1999,

2010-01-01T23:59:59.000Z

286

A-61: Poly Methyl Methacrylate-Halloysite Composite Nanofibers ...  

Science Conference Proceedings (OSTI)

... as Shielding Materials for Electromagnetic Interference and Radiation Shielding ... for Nuclear Power Plant Steam Generators during Cold-Working Process.

287

Ultrastructural changes in rat hepatocytes following acute methyl mercury intoxication  

SciTech Connect

Male rats were given daily subcutaneous injections of methylmercuric chloride (CH/sub 3/HgCl) at a dosage of 10 mg/kg body weight for 4 days. The earliest ultrastructural changes consisted of dilatation of the rough endoplasmic reticulum, wavy transformation of the mitochondrial membranes and occasional accumulation of liposomes. Focal areas of cytoplasmic degradation were observed 1 day after the initial administration of mercury. An increased number of lysosomes as well as swelling and floccular degeneration of the mitochondria were frequently observed at 2 days. Sequestration of cytoplasmic organelles within the hepatocytes, extrusion of degenerated hepatic organelles and cytoplasmic debris into the sinusoid could be observed 24 hours after the initial mercury administration and became a frequent finding after 4 days of intoxication. (auth)

Desnoyers, P.A.; Chang, L.W.

1975-06-01T23:59:59.000Z

288

Engineering of Bacterial Methyl Ketone Synthesis for Biofuels  

Published Ahead of Print 28 October 2011. €€ 10.1128/AEM.06785-11. Appl. Environ. Microbiol.€2012, 78(1):70. DOI: Harry R. Beller Ee-Been Goh, Edward E. K ...

289

RESEARCH Open Access Kinetics of DNA methylation inheritance by the  

E-Print Network (OSTI)

/G1 phase was superior to that seen in S phase, but not the observation that the number of the Dnmt1/ PPARg dots seen in S phase was superior to that seen in G2/M phase. Without explaining all variations-treated cells was due to an accumulation of p53. Acknowledgements We thank to Philippe Hulin for its technical

Paris-Sud XI, Université de

290

The Esterification of Naphthenic Acids for Methyl Ester Production .  

E-Print Network (OSTI)

??The remediation of tailings water, a by-product of bitumen extraction, is of utmost importance to the Athabasca oil sands industry due to its toxicity to… (more)

Dastjerdi, Zahra

2010-01-01T23:59:59.000Z

291

Engineering of bacterial methyl ketone synthesis for biofuels  

E-Print Network (OSTI)

ketone synthesis for biofuels Ee-Been Goh†† 1,3 , Edward E.microbes for use as biofuels, such as fatty acid ethylother fatty acid-derived biofuels, such as fatty acid ethyl

Goh, Ee-Been

2012-01-01T23:59:59.000Z

292

Investigation of the Atmospheric Ozone Impacts of Methyl Iodide  

E-Print Network (OSTI)

ethylene, propylene, n-butane and trans-2-butene werepropane, propylene, n-butane, n-hexane, toluene, n-octaneas ethylene, propylene, n-butane and trans-2-butene and 30 m

Carter, W P L

2007-01-01T23:59:59.000Z

293

Validation in Genomics: CpG Island Methylation Revisited  

E-Print Network (OSTI)

analysis. In: Functional Genomics: Methods and Protocols, M.Segal: Validation in Genomics: CpG Island Methylationpackage and applications to genomics. Bioinformatics and

Segal, Mark R

2006-01-01T23:59:59.000Z

294

An experimental design algorithm applied to study of methyl ...  

Science Conference Proceedings (OSTI)

... The oxidation of hydrocarbon fuels proceeds by means of the ... to simulate these experiments, in this case the Jet Surrogate Fuel model. ...

295

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

296

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

297

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

298

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

299

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

300

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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

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

302

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

303

Process for conversion of lignin to reformulated, partially oxygenated gasoline  

DOE Patents (OSTI)

A high-yield process for converting lignin into reformulated, partially oxygenated gasoline compositions of high quality is provided. The process is a two-stage catalytic reaction process that produces a reformulated, partially oxygenated gasoline product with a controlled amount of aromatics. In the first stage of the process, a lignin feed material is subjected to a base-catalyzed depolymerization reaction, followed by a selective hydrocracking reaction which utilizes a superacid catalyst to produce a high oxygen-content depolymerized lignin product mainly composed of alkylated phenols, alkylated alkoxyphenols, and alkylbenzenes. In the second stage of the process, the depolymerized lignin product is subjected to an exhaustive etherification reaction, optionally followed by a partial ring hydrogenation reaction, to produce a reformulated, partially oxygenated/etherified gasoline product, which includes a mixture of substituted phenyl/methyl ethers, cycloalkyl methyl ethers, C.sub.7 -C.sub.10 alkylbenzenes, C.sub.6 -C.sub.10 branched and multibranched paraffins, and alkylated and polyalkylated cycloalkanes.

Shabtai, Joseph S. (Salt Lake City, UT); Zmierczak, Wlodzimierz W. (Salt Lake City, UT); Chornet, Esteban (Golden, CO)

2001-01-09T23:59:59.000Z

304

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)

305

Slide 1  

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

(poly (ether ether ketone)) Products ranging from membrane separation filters to heat transfer devices Not-for-profit research company, providing energy and natural gas...

306

Polybrominated diphenyl ether (PBDE)-induced alterations in vitamin A and thyroid hormone concentrations in the rat during lactation and early postnatal development  

Science Conference Proceedings (OSTI)

In experimental animals fed standard laboratory diets, penta-BDE mixtures can decrease circulating thyroid hormone and liver vitamin A concentrations. A substantial number of pregnant women and their children have marginal vitamin A status, potentially increasing their risk of adverse effects to penta-BDE exposure. The current study investigated the effects of maternal gestational and lactational penta-BDE exposure on thyroid hormone and vitamin A homeostasis in rats of sufficient vitamin A (VAS) or marginal vitamin A (VAM) status and their offspring. Dams were administered daily oral doses of 18 mg/kg DE-71 (a penta-BDE mixture) or a corn oil vehicle from gestation day 6 through lactation day (LD) 18. Thyroid hormone and vitamin A homeostasis were assessed in plasma and tissues of LD 19 dams and postnatal day (PND) 12, 18, and 31 pups. DE-71 exposure induced hepatomegaly in VAS and VAM pups at all timepoints and increased testes weights at PND 31. While liver vitamin A concentrations were low in DE-71 treated dams and pups, plasma retinol concentrations and plasma retinol binding protein levels were only low in VAM animals exposed to DE-71. DE-71 exposure lowered plasma thyroxine concentrations in VAS and VAM dams and pups. Plasma thyroid stimulating hormone concentrations were high in VAM dams exposed to DE-71, suggesting that marginal vitamin A status enhances the susceptibility to thyroid hormone axis disruption by DE-71. These results support the concept that marginal vitamin A status in pregnant women may increase the risk for PBDE-induced disruptions in vitamin A and thyroid hormone homeostasis.

Ellis-Hutchings, Robert G. [Department of Nutrition, University of California-Davis, Davis, CA 95616 (United States); Department of Environmental Toxicology, University of California-Davis, Davis, CA 95616 (United States); Cherr, Gary N. [Department of Nutrition, University of California-Davis, Davis, CA 95616 (United States); Department of Environmental Toxicology, University of California-Davis, Davis, CA 95616 (United States); Bodega Marine Laboratory, University of California-Davis, Bodega Bay, CA 94923 (United States); Hanna, Lynn A. [Department of Nutrition, University of California-Davis, Davis, CA 95616 (United States); Keen, Carl L. [Department of Nutrition, University of California-Davis, Davis, CA 95616 (United States) and Department of Internal Medicine, University of California-Davis, Davis, CA 95616 (United States)]. E-mail: clkeen@ucdavis.edu

2006-09-01T23:59:59.000Z

307

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

308

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

309

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

310

504 SOME PHENOLIC CONSTITUENTS OF CIGARETTE SMOKE  

E-Print Network (OSTI)

PHENOLS have long been recognised as constituents of tobacco smoke although the conditions employed in obtaining the samples were in some cases very unlike those occurring in normal human smoking. Phenol, o-cresol, m-cresol, catechol,. guaiacol and less well defined constituents designated as polyphenols, phenolic acids and creosote have been identified and in some cases determined. Of this earlier work the most significant was that in which phenol, o-cresol and guaiacol were separated and determined by paper chromatography of the azo-dyes formed with p-nitraniline (Rayburn, Harlan and Hanmer, 1953). A well-designed smoking machine was employed to produce the smoke condensate in this investigation. The new method for determination of phenols (Commins and Lindsey, 1956) is especially suitable to separations on a microgram scale and depends upon the quantitative conversion of phenols into their methyl ethers by dimethyl sulphate in the presence of alkali, followed by chromatographic separation in cyclohexane solution on alumina columns. The detection and determination of the ethers in successive eluates is effected by the recognition of characteristic absorption peaks

B. T. Commins; A. J. Lindsey

1956-01-01T23:59:59.000Z

311

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

312

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

313

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.

314

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

315

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

316

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.

317

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

318

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

319

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.

320

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

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


321

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

322

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

323

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

324

Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite  

DOE Patents (OSTI)

The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100--160 C and the pressure range of 40--65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H[sub 2]/CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

Tierney, J.W.; Wender, I.; Palekar, V.M.

1995-01-24T23:59:59.000Z

325

Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite for methanol synthesis  

DOE Patents (OSTI)

The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

1993-01-01T23:59:59.000Z

326

Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite  

DOE Patents (OSTI)

The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

1995-01-01T23:59:59.000Z

327

May 2012Volunteer Volunteer 11  

E-Print Network (OSTI)

-Glutamic acid Anaerobic digestion mass Cellulose Biogas Bio oil Gasoline Diesel Butanol Dimethyl ether

Sharp, Kim

328

AOCS Official Method Ba 3-38  

Science Conference Proceedings (OSTI)

This method determines the substances extracted by petroleum ether under the conditions of the test.

329

Thermoset epoxy polymers from renewable resources  

DOE Patents (OSTI)

Novel thermoset epoxy polymers using the bisglycidyl ethers of anhydrosugars, such as isosorbide, isomannide, and isoidide, are disclosed. The bisglycidyl ethers are useful as substitutes for bisphenol A in the manufacture of thermoset epoxy ethers. The anhydrosugars are derived from renewable sources and the bisglycidyl ethers are not xenoestrogenic and the thermoset curing agents are likewise derived form renewable resources.

East, Anthony (Madison, NJ); Jaffe, Michael (Maplewood, NJ); Zhang, Yi (Harrison, NJ); Catalani, Luiz H (Carapicuiba, BR)

2009-11-17T23:59:59.000Z

330

Methyl chloride via oxyhydrochlorination of methane. Quarterly technical progress report No. 10, January 1944--March 1994  

SciTech Connect

In work related to the design and construction of the Process Development Unit (PDU) this quarter involved further detail design and a real start to the construction activities. Status updates are given below for each discipline in the Task 2.0 and 3.0 headings. This work is progressing well. with the caveat of several small slips in the scheduling. On the catalyst development front this quarter was extremely productive. Many catalyst screening experiments were completed and they showed that control of the reaction exotherm is going to be quite challenging under PDU conditions. The presence of much more efficient reactor design and the ability to maintain closer to isothermal conditions is expected to give a significant advantage in actual PDU operation. A major concern at the moment is the cost of La in the catalyst being used. An action plan to remedy this is being put together.

NONE

1994-08-01T23:59:59.000Z

331

glutamate-activated N-methyl-D-aspartate (NMDA) channels have recently been de-  

E-Print Network (OSTI)

nA 2 -30 nA E DEPOL PULSE IOlnV I +2.0 nA ' 1 0.5 s Figure 7. Intracellular current injection during

Alford, Simon

332

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

E-Print Network (OSTI)

/L. For the city's Char- nock well field, an initial review of known and sus- pected petroleum spill sites identified about 10 potential sources that lay within 1 km of the well field, lay above the hydrologic unit (LUFTs) and leaking pipelines, other sources of MTBE in groundwater include tank overfilling and faulty

333

3-Methyl-1-butanol production in Escherichia coli: random mutagenesis and two-phase fermentation  

E-Print Network (OSTI)

Bioethanol production is an attractive option because of the high productivity and yield during fermentation.

Connor, Michael R.; Cann, Anthony F.; Liao, James C.

2010-01-01T23:59:59.000Z

334

207_06 Structural Analysis of Unsaturated Fatty Acid Methyl Ester Isomers with Acetonitrile Covalent  

Science Conference Proceedings (OSTI)

AOCS Press, Urbana, IL 61802 ©2006 by AOCS Press. All rights reserved. No part of this PDF may be repro-

335

A comparative analysis of DNA methylation across human embryonic stem cell lines  

E-Print Network (OSTI)

Regenerative Medicine and Stem Cell Research at UCLA (to SEJ and MP), and by the Department of Energy

Chen, Pao-Yang; Feng, Suhua; Joo, Jong; Jacobsen, Steve E; Pellegrini, Matteo

2011-01-01T23:59:59.000Z

336

Outbreak of Minamata Disease (methyl mercury poisoning) in cats on northwestern Ontario Reserves  

SciTech Connect

Pathological, histochemical, and analytical studies have confirmed the presence of Minamata Disease in at least one of two cats that lived on or near Indian Reserves in Northwestern Ontario, Canada. These symptoms parallel the Japanese experience in the 1950s and raise ominous health considerations for the Indians who share their diet of fish. After being fed a diet that primarily consisted of fish from the English River, one cat developed such acute neurological symptoms as an ataxic gait, other abnormal movements, uncontrolled howling, and seizures. The total mercury analyses showed high levels in all tissues with 16.4 mg/kg in the brain comparable with symptomatic cats in Japan. A second cat that appeared normal had 6.9 mg/kg in its brain tissues, and pathological studies confirmed the presence of latent Minamata Disease.

Takeuchi, T. (Kumamoto Univ., Japan); D' Itri, F.M.; Fischer, P.V.; Annett, C.S.; Okabe, M.

1977-04-01T23:59:59.000Z

337

Outbreak of minamata disease (methyl mercury poisoning) in cats on Northwestern Ontario reserves  

SciTech Connect

Pathological, histochemical, and analytical studies have confirmed the presence of Minamata Disease in at least one of two cats that lived on or near Indian Reserves in Northwestern Ontario, Canada. These symptoms parallel the Japanese experience in the 1950s and raise ominous health considerations for the Indians who share their diet of fish. After being fed a diet that primarily consisted of fish from the English River, one cat developed such acute neurological symptoms as an ataxic gait, other abnormal movements, uncontrolled howling, and seizures. The total mercury analyses showed high levels in all tissues with 16.4 mg/kg in the brain comparable with symptomatic cats in Japan. A second cat that appeared normal had 6.9 mg/kg in its brain tissues, and pathological studies confirmed the presence of latent Minamata Disease.

Takeuchi, T. (Kumamoto Univ., Japan); D' Itri, F.M.; Fischer, P.V.; Annett, C.S.; Okabe, M.

1977-04-01T23:59:59.000Z

338

Thermal Decomposition of Methyl Butanoate: Ab Initio Study of a Biodiesel Fuel Surrogate  

E-Print Network (OSTI)

. (1989a,b) from a molecular dynamics simulation of the measured structure factor results of Susman et al., and BOLLER,A.,1994, Thermochim. Acta, 238, 227. ZHANG,M., and BOOLCHAND,P.,1994, Science, 266, 1355. 1772

Violi, Angel

339

Aging effects on DNA methylation modules in human brain and blood tissue  

E-Print Network (OSTI)

changes in chromosomes cause aging? Cell 1996, 86:9-12. 2.M: Cross-Talk between Aging and Cancer. Annals of the NewMF, Esteller M: Epigenetics and aging: the targets and the

2012-01-01T23:59:59.000Z

340

Type II restriction-modification system methylation subunit of Alicyclobacillus acidocaldarius  

SciTech Connect

Isolated and/or purified polypeptides and nucleic acid sequences encoding polypeptides from Alicyclobacillus acidocaldarius are provided. Further provided are methods for modulating or altering recombination inside or outside of a cell using isolated and/or purified polypeptides and/or nucleic acid sequences from Alicyclobacillus acidocaldarius.

Lee, Brady D; Newby, Deborah T; Lacey, Jeffrey A; Thompson, David N; Thompson, Vicki S; Apel, William A; Roberto, Francisco F; Reed, David W

2013-10-29T23:59:59.000Z

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


341

Characterization of gaseous and particulate emissions from combustion of algae based methyl ester biodiesel.  

E-Print Network (OSTI)

??The advantages to using biodiesel in place of petroleum diesel are also accompanied by disadvantages. Biodiesel is usually made from crops that are also used… (more)

Fisher, Bethany Cheryl

2009-01-01T23:59:59.000Z

342

Forest nurseries face critical choices with the loss of methyl bromide fumigation  

E-Print Network (OSTI)

seedlings over mature composts in USDA Forest Serviceseedlings planted into compost-amended soil that had eitherbio- solid and bark-based composts had the highest average

Weiland, Jerry E; Littke, Will R; Haase, Diane L

2013-01-01T23:59:59.000Z

343

Polyol-mediated synthesis of zinc oxide nanorods and nanocomposites with poly(methyl methacrylate)  

Science Conference Proceedings (OSTI)

ZnO nanorods (length 30-150 nm) were synthesized in di(ethylene glycol) using Zn(CH3COO)2 as a precursor and para-toluene sulphonic acid, p-TSA, as an end-capping agent. Increasing the concentration of p-TSA above 0.1M causes the ...

Alojz Anžlovar; Zorica Crnjak Orel; Ksenija Kogej; Majda Žigon

2012-01-01T23:59:59.000Z

344

Inhibition of IFN-[gamma] promoter function by site-specific methylation  

E-Print Network (OSTI)

When they become activated, naive helper T cells are able to polarize into either THI cells or TH2 cells. Development of naive CD4+ T cells into TH1 cells is characterized by the expression of IFN-y and the silencing of ...

Jones, Brendan T. (Brendan Taber)

2006-01-01T23:59:59.000Z

345

Characterization and research investigation of methanol and methyl fuels. Final progress report  

DOE Green Energy (OSTI)

Work on several aspects of using pure methanol as an alternate fuel are reported. A stock (OEM) Pinto engine mounted on a dynamometer was used to compare methanol with Indolene in terms of power, efficiency, and emissions for a variety of speeds and loads. Although the engine was designed for use with gasoline, it was found that methanol was generally superior in power, thermal efficiency and reduced emissions with the exception of aldehydes. Three different fuel metering systems were tested for a variety of speeds and loads using the dynamometer mounted engine. They were all found to provide superior steady state performance on methanol when compared with the OEM carburetor system with enlarged fuel jets for methanol. Mileage and emissions from a Pinto vehicle equipped with the various fuel metering systems were computer predicted for the Federal emissions test procedure using laboratory engine measurements. A computer was used to simulate the test engine's thermokinetic combustion events. The computer model predicts power, fuel economy and emissions with air-fuel ratio, compression ratio, spark advance and speed as parameters. A small (60 hp) gas turbine was converted to run on methanol. The conversion was easily accomplished, but atomization of the fuel was found to be important in obtaining a reduction in CO and NO/sub x/ for methanol in comparison with jet engine fuel. Environmental factors of marine and aquatic methanol spills and photochemical smog are under study. Preliminary experimentation relative to marine spills indicates that methanol is naturally present in that environment. It appears at this early stage of investigation that damage to the ecosystem from a major coastal spill may be localized and of short duration.

Pefley, R.K.; Browning, L.H.; Hornberger, M.L.; Likos, W.E.; McCormack, M.C.; Pullman, B.

1977-01-01T23:59:59.000Z

346

3-Methyl-1-butanol production in Escherichia coli: random mutagenesis and two-phase fermentation  

E-Print Network (OSTI)

Interest in producing biofuels from renewable sources hasafter 60 h. Keywords Biofuels . Metabolic engineering .2008; Stephanopoulos 2007). Biofuels produced from renewable

Connor, Michael R.; Cann, Anthony F.; Liao, James C.

2010-01-01T23:59:59.000Z

347

Catalytic Hydrodeoxygenation of Methyl-Substituted Phenols: Correlations of Kinetic Parameters with Molecular Properties  

E-Print Network (OSTI)

-of-the-art of using alternative, renewable, and/or novel feedstocks (such coal; biomass; oil shale; tar sands reserves, and heavy oil from tar sands or oil shale. These feedstock sources have been evaluated compounds into smaller molecules. Oil shale in Colorado has the potential to be a large scale domestic

Simons, Jack

348

ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome  

SciTech Connect

ATR-X (alpha-thalassemia/mental retardation, X-linked) syndrome is a human congenital disorder that causes severe intellectual disabilities. Mutations in the ATRX gene, which encodes an ATP-dependent chromatin-remodeler, are responsible for the syndrome. Approximately 50% of the missense mutations in affected persons are clustered in a cysteine-rich domain termed ADD (ATRX-DNMT3-DNMT3L, ADD{sub ATRX}), whose function has remained elusive. Here we identify ADD{sub ATRX} as a previously unknown histone H3-binding module, whose binding is promoted by lysine 9 trimethylation (H3K9me3) but inhibited by lysine 4 trimethylation (H3K4me3). The cocrystal structure of ADD{sub ATRX} bound to H3{sub 1-15}K9me3 peptide reveals an atypical composite H3K9me3-binding pocket, which is distinct from the conventional trimethyllysine-binding aromatic cage. Notably, H3K9me3-pocket mutants and ATR-X syndrome mutants are defective in both H3K9me3 binding and localization at pericentromeric heterochromatin; thus, we have discovered a unique histone-recognition mechanism underlying the ATR-X etiology.

Iwase, Shigeki; Xiang, Bin; Ghosh, Sharmistha; Ren, Ting; Lewis, Peter W.; Cochrane, Jesse C.; Allis, C. David; Picketts, David J.; Patel, Dinshaw J.; Li, Haitao; Shi, Yang (Harvard-Med); (Ottawa Hosp.); (MSKCC); (Rockefeller); (CH-Boston); (Tsinghua); (Mass. Gen. Hosp.)

2011-07-19T23:59:59.000Z

349

ATRX ADD Domain Links an Atypical Histone Methylation Recognition Mechanism to Human Mental-Retardation Syndrome  

SciTech Connect

ATR-X (alpha-thalassemia/mental retardation, X-linked) syndrome is a human congenital disorder that causes severe intellectual disabilities. Mutations in the ATRX gene, which encodes an ATP-dependent chromatin-remodeler, are responsible for the syndrome. Approximately 50% of the missense mutations in affected persons are clustered in a cysteine-rich domain termed ADD (ATRX-DNMT3-DNMT3L, ADD{sub ATRX}), whose function has remained elusive. Here we identify ADD{sub ATRX} as a previously unknown histone H3-binding module, whose binding is promoted by lysine 9 trimethylation (H3K9me3) but inhibited by lysine 4 trimethylation (H3K4me3). The cocrystal structure of ADD{sub ATRX} bound to H3{sub 1-15}K9me3 peptide reveals an atypical composite H3K9me3-binding pocket, which is distinct from the conventional trimethyllysine-binding aromatic cage. Notably, H3K9me3-pocket mutants and ATR-X syndrome mutants are defective in both H3K9me3 binding and localization at pericentromeric heterochromatin; thus, we have discovered a unique histone-recognition mechanism underlying the ATR-X etiology.

S Iwase; B Xiang; S Ghosh; T Ren; P Lewis; J Cochrane; C Allis; D Picketts; D Patel; et al.

2011-12-31T23:59:59.000Z

350

Evaluation of neural networks-based controllers in batch polymerisation of methyl methacrylate  

Science Conference Proceedings (OSTI)

The importance of batch reactors in today's process industries cannot be overstated. Thus said, it is important to optimise their operation in order to consistently achieve products of high quality while minimising the production of undesirables. In ... Keywords: Batch polymerisation, Batch reactor control, Batch reactor optimisation

E. E. Ekpo; I. M. Mujtaba

2008-03-01T23:59:59.000Z

351

Splitting a C-O bond in dialkylethers with bis(1,2,4-tri-t-butylcyclopentadienyl) cerium-hydride does not occur by a sigma-bond metathesis pathway: a combined experimental and DFT computational study  

Science Conference Proceedings (OSTI)

Addition of diethylether to [1,2,4(Me3C)3C5H2]2CeH, abbreviated Cp'2CeH, gives Cp'2CeOEt and ethane. Similarly, di-n-propyl- or di-n-butylether gives Cp'2Ce(O-n-Pr) and propane or Cp'2Ce(O-n-Bu) and butane, respectively. Using Cp'2CeD, the propane and butane contain deuterium predominantly in their methyl groups. Mechanisms, formulated on the basis of DFT computational studies, show that the reactions begin by an alpha or beta-CH activation with comparable activation barriers but only the beta-CH activation intermediate evolves into the alkoxide product and an olefin. The olefin then inserts into the Ce-H bond forming the alkyl derivative, Cp'2CeR, that eliminates alkane. The alpha-CH activation intermediate is in equilibrium with the starting reagents, Cp'2CeH and the ether, which accounts for the deuterium label in the methyl groups of the alkane. The one-step sigma-bond metathesis mechanism has a much higher activation barrier than either of the two-step mechanisms.

Werkema, Evan; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile; Andersen, Richard

2010-04-06T23:59:59.000Z

352

On the nature and origin of acidic species in petroleum. 1. Detailed acid type distribution in a California crude oil.  

Science Conference Proceedings (OSTI)

Acidity in crude oils has long been a problem for refining. Knowledge of the detailed chemical composition of the acids responsible for corrosion can facilitate identification of problem crude oils and potentially lead to improved processing options for corrosive oils. A highly aerobically biodegraded crude from the San Joaquin Valley, which has a long history of causing corrosion problems during refining, was the subject of this study. The oil was first extracted with base, then acidified and extracted with petroleum ether. A portion of the resulting acid fraction was methylated. The unmethylated extract was analyzed by FTIR, NMR, and the methylated sample was analyzed by high-resolution mass spectrometry (HRMS). Over 96% of the ions observed in HRMS have been assigned reliable formulas. Considerably greater functionality is seen in this sample than would be presumed from the 'naphthenic acid' title typically assigned to these species. Although over 60% of the compounds contained two or more oxygens, compounds containing only oxygen heteroatoms accounted for less than 10% of the acidic compounds identified. Approximately one-half of the species contained nitrogen and about one-fourth contained sulfur. It is believed that microbial degradation is a major source of these acidic components. It was also observed that acid species with higher degrees of heteroatom substitution generally also had a higher degree of saturation than those species having less heteroatoms, possibly due to impeded migration of highly substituted, less-saturated species.

Tomczyk, N. A.; Winans, R. E.; Shinn, J. H.; Robinson, R. C.; Chemistry; Chevron Research and Technology Co.

2001-11-21T23:59:59.000Z

353

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

354

Mechanism of formation of oil by the hot aqueous alkaline digestion of cellulose  

DOE Green Energy (OSTI)

The overall mechanism of cellulose converson in hot aqueous alkali appears to be one of degradation through glucose to low molecular weight saccharinic acids, dihydroxybutyric acid, glycolic acid, and carbonyl products such as acetone, acetaldehyde, formaldehyde, and similar compounds. Although the products identified in the present report were fairly complex furans, carbocyclic ketones, unsaturated hydrocarbons, and aromatic compounds, nevertheless, in most cases, they could have been formed from simple carbonyl compounds through a series of condensations involving carbanion intermediates. It is conceivable that residual alkali in the oil during acetone extraction could have given rise to diacetone alcohol as an artifact. This is refuted by examination of an aqueous residue which was extracted with diethyl ether and which was never exposed to any acetone: Compounds derived from diacetone alcohol (such as mesityl oxide or 4-methyl-3-penten-2-one) were also identified in the diethyl ether extract of the aqueous phase. Other compounds were identified in the oil acetone extract which could not have been derived from acetone or diacetone alcohol, but which could have been formed from other carbonyl compounds by the same mechanism. Hence, diacetone alcohol is a genuine product of cellulose conversion although apparently not an intermediate in further synthesis of other products. The further reaction of the postulated cyclic intermediates, and the route to formation of unsaturated hydrocarbons of high molecular weight is intended to be the next subject of investigation in the current work. The fundamental difference in the mechanism of cellulose conversion to oil by pyrolysis and by aqueous alkaline digestion predicted by theory is therefore confirmed. Pyrolysis products may be explained generally by carbonium ion and free radical reactions (in fact, cellulose decomposition is acid-catalyzed), while in aqueous alkali, nucleophilic carbanion reactions are favored.

Molten, P.M.; Miller, R.K.; Donovan, J.M.; Demmitt, T.F.

1977-01-01T23:59:59.000Z

355

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

356

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

357

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

358

CATALYST ACTIVITY MAINTENANCE FOR THE LIQUID PHASE SYNTHESIS GAS-TO-DIMETHYL ETHER PROCESS PART II: DEVELOPMENT OF ALUMINUM PHOSPHATE AS THE DEHYDRATION CATALYST FOR THE SINGLE-STEP LIQUID PHASE SYNGAS-TO-DME PROCESS  

DOE Green Energy (OSTI)

At the heart of the single-step liquid phase syngas-to-DME process (LPDME{trademark}) is a catalyst system that can be active as well as stable. In the Alternative Fuels I program, a dual-catalyst system containing a Cu-based commercial methanol synthesis catalyst (BASF S3-86) and a commercial dehydration material ({gamma}-alumina) was demonstrated. It provided the productivity and selectivity expected from the LPDME process. However, the catalyst system deactivated too rapidly to warrant a viable commercial process [1]. The mechanistic investigation in the early part of the DOE's Alternative Fuels II program revealed that the accelerated catalyst deactivation under LPDME conditions is due to detrimental interaction between the methanol synthesis catalyst and methanol dehydration catalyst [2,3]. The interaction was attributed to migration of Cu- and/or Zn-containing species from the synthesis catalyst to the dehydration catalyst. Identification of a dehydration catalyst that did not lead to this detrimental interaction while retaining adequate dehydration activity was elusive. Twenty-nine different dehydration materials were tested, but none showed the desired performance [2]. The search came to a turning point when aluminum phosphate was tested. This amorphous material is prepared by precipitating a solution containing Al(NO{sub 3}){sub 3} and H{sub 3}PO{sub 4} with NH{sub 4}OH, followed by washing, drying and calcination. The aluminum phosphate catalyst has adequate dehydration activity and good stability. It can co-exist with the Cu-based methanol synthesis catalyst without negatively affecting the latter catalyst's stability. This report documents the details of the development of this catalyst. These include initial leads, efforts in improving activity and stability, investigation and development of the best preparation parameters and procedures, mechanistic understanding and resulting preparation guidelines, and the accomplishments of this work.

Xiang-Dong Peng

2002-05-01T23:59:59.000Z

359

“BEST VALUES” OF CUP-BURNER EXTINGUISHING ...  

Science Conference Proceedings (OSTI)

... diesel no. 2 diethyl ether ethanol ethyl acetate ethylene glycol Exxon Turbo Oil gasoline (unleaded) heptane (commercial ...

2011-11-17T23:59:59.000Z

360

Results of Reference List Query  

Science Conference Proceedings (OSTI)

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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.


361

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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.


381

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

382

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

383

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.

384

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.

385

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

386

A combustion model for IC engine combustion simulations with multi-component fuels  

Science Conference Proceedings (OSTI)

Reduced chemical kinetic mechanisms for the oxidation of representative surrogate components of a typical multi-component automotive fuel have been developed and applied to model internal combustion engines. Starting from an existing reduced mechanism for primary reference fuel (PRF) oxidation, further improvement was made by including additional reactions and by optimizing reaction rate constants of selected reactions. Using a similar approach to that used to develop the reduced PRF mechanism, reduced mechanisms for the oxidation of n-tetradecane, toluene, cyclohexane, dimethyl ether (DME), ethanol, and methyl butanoate (MB) were built and combined with the PRF mechanism to form a multi-surrogate fuel chemistry (MultiChem) mechanism. The final version of the MultiChem mechanism consists of 113 species and 487 reactions. Validation of the present MultiChem mechanism was performed with ignition delay time measurements from shock tube tests and predictions by comprehensive mechanisms available in the literature. A combustion model was developed to simulate engine combustion with multi-component fuels using the present MultiChem mechanism, and the model was applied to simulate HCCI and DI engine combustion. The results show that the present multi-component combustion model gives reliable performance for combustion predictions, as well as computational efficiency improvements through the use of reduced mechanism for multi-dimensional CFD simulations. (author)

Ra, Youngchul; Reitz, Rolf D. [Engine Research Center, University of Wisconsin-Madison (United States)

2011-01-15T23:59:59.000Z

387

Reaction products of aquatic humic substances with chlorine. Environ. Health Perspect. 46  

E-Print Network (OSTI)

A major concern of the chlorination of aquatic humic materials is the ubiquitous production of trihalomethanes. A large number of other chlorinated organic compounds, however, have been shown to be formed by chlorine's reaction with humic substances. In this study, humic material was concentrated from a coastal North Carolina lake and chlorinated at a chlorine to carbon mole ratio of 1.5 at pH 12. A high pH was necessary for complete dissolution of the humic material and for production of adequate quantities of oxidation and chlorination products for extraction, separation and mass spectrometric identification. After concentration in ether, samples were methylated, separated with a 50-m OV-17 glass capillary column or a 25 m SP-2100 fused-silica column and identified. A Hewlett-Packard 5710A gas chromatograph interfaced to a VG Micromass 7070F double-focusing mass spectrometer was used. Low resolution, accurate mass measurements were made with a combined EI-CI source. The ability to do low resolution, accurate mass measurements made possible a rapid scan function necessary for capillary column gas chromatography. Accurate mass measurements allowed increased confidence in the identification of compounds, most of which are not available as standards. The products identified in these studies were chlorinated aliphatic straight-chain acids dominated by di- and trichloroacetic acid and the chlorinated dicarboxylic acids: succinic, fumaric and maleic acids. Chlorinated and unchlorinated aliphatic mono- and dicarboxylic acids and unchlorinated polycarboxylic aromatic acids comprise the remaining bulk of the compounds identified.

J. D. Johnson; R. F. Christman; D. L. Norwood; D. S. Millington

1982-01-01T23:59:59.000Z

388

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

389

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

390

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

391

Chemistry and structure of coal-derived asphaltenes, Phase II. Quarterly progress report, January--March 1977. [15 refs  

SciTech Connect

Separations of Synthoil liquefied coal by solvent fractionation and high pressure liquid chromatography have been compared. Solvent fractionation is believed to give more distinctive fractions. The asphaltene fraction obtained by use of hplc was found to be a mixture of resin, asphaltene, carbene, and carboid. Solvent elution chromatrogrphy of asphaltenes on silica gel has been scaled up, and recoveries of 98-99 wt. % are generally obtained. VPO molecular weight studies of coal asphaltenes, as a function of concentration, in the solvents benzene and THF indicate that association of asphaltenes takes place in both solvents, but is more significant in benzene. Structural parameters obtained from modified Brown-Ladner treatment of proton NMR data suggest that solvent fractions: oil, resin, asphaltene, and carboid have structural characteristics which are sequentially related. X-ray diffraction patterns for asphaltene, carbene, and carboid fractions reveal progressively sharpened (002) and (11) bands indicative of increasing carbonization in this series. Methyl iodide addition to a basic fraction of Synthoil asphaltene (diethyl ether-eluted from silica gel) suggests, in conjunction with infrared results, that essentially all of the nitrogen in this fraction is present in basic pyridine-like compounds.

Yen, T. F.

1977-01-01T23:59:59.000Z

392

Synthesis of acrylates. Quarterly report, 1996  

DOE Green Energy (OSTI)

Eastman has completed its experimental work in the generation of propionate derivatives. Over the last quarter, Eastman has primarily devoted its time to completing the documentation and developing the potential extension of the oxidative condensation to dimethyl ether. Eastman has completed internal invention reports covering two patents and is working on the third with RTI which they expect to complete within the month. Becthel has also completed its work on the cost analysis of the propionate synthesis work (Task 1). RTI is continuing to develop active and stable catalysts for the condensation of propionic acid and formaldehyde. A total of 74 acid-base catalysts have been tested so far. Two invention reports have been completed based on RTI and Eastman`s work. A third invention report is currently being prepared for Eastman`s review on a novel methodology of methyl propionate activation. RTI is continuing to synthesize more acid-base catalysts with a goal of developing a catalyst which exhibits stable activity over a 200 h test period. Over the last quarter, RTI has also completed its initial tests on the slurry reactor system.

NONE

1996-10-01T23:59:59.000Z

393

Alkali or alkaline earth metal promoted catalyst and a process for methanol synthesis using alkali or alkaline earth metals as promoters  

DOE Patents (OSTI)

The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a heterogeneous catalyst comprising reduced copper chromite impregnated with an alkali or alkaline earth metal. There is thus no need to add a separate alkali or alkaline earth compound. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100--160 C and the pressure range of 40--65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H[sub 2]/CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

Tierney, J.W.; Wender, I.; Palekar, V.M.

1995-01-31T23:59:59.000Z

394

Alkali or alkaline earth metal promoted catalyst and a process for methanol synthesis using alkali or alkaline earth metals as promoters  

DOE Patents (OSTI)

The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a heterogeneous catalyst comprising reduced copper chromite impregnated with an alkali or alkaline earth metal. There is thus no need to add a separate alkali or alkaline earth compound. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA); Palekar, Vishwesh M. (Pittsburgh, PA)

1995-01-01T23:59:59.000Z

395

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

396

Amphetamine effects on startle gating in normal women and female rats  

E-Print Network (OSTI)

nucleus accumbens (NAC) catechol-O-methyl transferase (COMT)low activity to the enzyme catechol-O-methyl transferase (

Talledo, Jo A.; Sutherland Owens, Ashley N.; Schortinghuis, Tijmen; Swerdlow, Neal R.

2009-01-01T23:59:59.000Z

397

Radionuclide-binding compound, a radionuclide delivery system, a method of making a radium complexing compound, a method of extracting a radionuclide, and a method of delivering a radionuclide  

DOE Patents (OSTI)

The invention pertains to compounds which specifically bind radionuclides, and to methods of making radionuclide complexing compounds. In one aspect, the invention includes a radionuclide delivery system comprising: a) a calix[n]arene-crown-[m]-ether compound, wherein n is an integer greater than 3, and wherein m is an integer greater than 3, the calix[n]arene-crown-[m]-ether compound comprising at least two ionizable groups; and b) an antibody attached to the calix[n]arene-crown-[m]-ether compound. In another aspect, the invention includes a method of making a radium complexing compound, comprising: a) providing a calix[n]arene compound, wherein n is an integer greater than 3, the calix[n]arene compound comprising n phenolic hydroxyl groups; b) providing a crown ether precursor, the crown ether precursor comprising a pair of tosylated ends; c) reacting the pair of tosylated ends with a pair of the phenolic hydroxyl groups to convert said pair of phenolic hydroxyl groups to ether linkages, the ether linkages connecting the crown ether precursor to the calix[n]arene to form a calix[n]arene-crown-[m]-ether compound, wherein m is an integer greater than 3; d) converting remaining phenolic hydroxyl groups to esters; e) converting the esters to acids, the acids being proximate a crown-[m]-ether portion of the calix[n]arene-crown-[m]-ether compound; and f) providing a Ra.sup.2+ ion within the crown-[m]-ether portion of the calix[n]arene-crown-[m]-ether compound.

Fisher, Darrell R. (Richland, WA); Wai, Chien M. (Moscow, ID); Chen, Xiaoyuan (Moscow, ID)

2000-01-01T23:59:59.000Z

398

Aza compounds as anion receptors  

SciTech Connect

A family of aza-ether based compounds including linear, multi-branched and aza-crown ethers is provided. When added to non-aqueous battery electrolytes, the family of aza-ether based compounds acts as neutral receptors to complex the anion moiety of the electrolyte salt thereby increasing the conductivity and the transference number of Li.sup.+ ion in alkali metal batteries.

Lee, Hung Sui (East Setauket, NY); Yang, Xiao-Qing (Port Jefferson Station, NY); McBreen, James (Bellport, NY)

1998-01-06T23:59:59.000Z

399

Anion receptor compounds for non-aqueous electrolytes  

SciTech Connect

A new family of aza-ether based compounds including linear, multi-branched and aza-crown ethers is provided. When added to non-aqueous battery electrolytes, the new family of aza-ether based compounds acts as neutral receptors to complex the anion moiety of the electrolyte salt thereby increasing the conductivity and the transference number of LI.sup.+ ion in alkali metal batteries.

Lee, Hung Sui (East Setauket, NY); Yang, Xiao-Oing (Port Jefferson Station, NY); McBreen, James (Bellport, NY)

2000-09-19T23:59:59.000Z

400

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

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


401

Motor Gasoline Blending Components Movements by Tanker and ...  

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 and RBOB ...

402

Exports of Finished Motor Gasoline - U.S. Energy Information ...  

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 and RBOB ...

403

Imports of Total Motor Gasoline  

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 and RBOB ...

404

VERDiCT: Viscosity Enhancers Reducing Diffusion in ...  

Science Conference Proceedings (OSTI)

... These mixture modifications, however, also typically contribute to ... 5 the three largest molecules (cellulose ether, xanthum ... for an ongoing study in a ...

405

Imports of Distillate Fuel Oil - Energy Information Administration  

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 and RBOB ...

406

Stocks of Total Crude Oil and Petroleum Products (Including SPR)  

U.S. Energy Information Administration (EIA)

Weekly data for RBOB with Ether, RBOB with Alcohol, and Reformulated GTAB Motor Gasoline Blending Components are discontinued as of the week ending June 4, ...

407

Stocks of SPR Crude Oil  

U.S. Energy Information Administration (EIA)

Weekly data for RBOB with Ether, RBOB with Alcohol, and Reformulated GTAB Motor Gasoline Blending Components are discontinued as of the week ending June 4, ...

408

Stocks of Finished Motor Gasoline - U.S. Energy Information ...  

U.S. Energy Information Administration (EIA)

Weekly data for RBOB with Ether, RBOB with Alcohol, and Reformulated GTAB Motor Gasoline Blending Components are discontinued as of the week ending June 4, ...

409

Exports of Total Crude Oil and Products  

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 and RBOB ...

410

Stocks of SPR Crude Oil - Energy Information Administration  

U.S. Energy Information Administration (EIA)

Weekly data for RBOB with Ether, RBOB with Alcohol, and Reformulated GTAB Motor Gasoline Blending Components are discontinued as of the week ending June 4, ...

411

Imports of Total Motor Gasoline - U.S. Energy Information ...  

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 and RBOB ...

412

Exports of Crude Oil  

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 and RBOB ...

413

Imports of Crude Oil, Commercial  

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 and RBOB ...

414

Imports of Residual Fuel Oil  

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 and RBOB ...

415

Development and Application of Advanced Models for Steam Hydrogasification: Process Design and Economic Evaluation  

E-Print Network (OSTI)

comparative analysis of biodiesel and FT diesel. Energy and5.9 Schematic flow diagram for biodiesel production fromGas (LPG), ethanol, biodiesel, hydrogen, Dimethyl Ether (

Lu, Xiaoming

2012-01-01T23:59:59.000Z

416

Texas Gulf Coast Refinery Net Input  

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 and RBOB ...

417

Rocky Mountain (PADD 4) Petrochemical Feedstocks Net Receipts ...  

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 and RBOB ...

418

Rocky Mountain (PADD 4) Reformulated Gasoline Blending ...  

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 and RBOB ...

419

Blender Net Input of Reformulated GTAB Gasoline Blending ...  

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 ...

420

Refinery Net Input of All Other Oxygenates  

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 and RBOB ...

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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.


421

Biofuel Boundaries: Estimating the Medium-Term Supply Potential of Domestic Biofuels  

E-Print Network (OSTI)

the gasification to Fischer- Tropsch fuel pathway may turnEther Flash Pyrolysis Fischer Tropsch Fuels Renewable Dieselblendstocks (e.g. Fischer-Tropsch fuels, renewable diesel,

Jones, Andrew; O'Hare, Michael; Farrell, Alexander

2007-01-01T23:59:59.000Z

422

Matches  

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

and very expensive. In 1780 the Phosphoric Candle or Ethereal Match -- waxed paper or string tipped with phosphorus, in a sealed glass container -- was produced in France. When...

423

Imports of Fuel Ethanol  

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 and RBOB ...

424

ThermoML Data for TCA  

Science Conference Proceedings (OSTI)

... As"). Title: Effect of temperature on the solvation of 15-crown-5 ether inwater ethanol and water propan-1-ol mixtures. Pages: 122-9. ...

425

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

Note: This page contains sample records for the topic "methyl tert-butyl ether" 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.


441

Exports of Crude Oil  

U.S. Energy Information Administration (EIA)

Imports and stocks of RBOB with Ether and RBOB with Alcohol are discontinued as of the week ending June 4, 2010 reporting period. Due to independent ...

442

Imports of Crude Oil  

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 and ...

443

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

U.S. Energy Information Administration (EIA)

Sulfur hexafluoride (SF 6): A colorless gas soluble in alcohol and ether, and slightly less soluble in water. It is used as a dielectric in ...

444

Refinery Net Input of Hydrogen/Oxygenates/Renewables/Other ...  

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 and ...

445

Alaskan Crude Oil Receipts  

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 and ...

446

Kerosene-Type Jet Fuel Movements by Pipeline between PAD Districts  

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 and RBOB ...

447

Kerosene-Type Jet Fuel Movements by Tanker and Barge between PAD ...  

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 and RBOB ...

448

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

449

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

450

DIVALENT LANTHANIDE CHEMISTRY; BIS (PENTAMETHYLCYCLOPENTADIENYL) EUROPIUM(II) AND YTTERBIUM(II) DERIVATIVES: CRYSTAL STRUCTURE OF BIS(PENTAMETHYLCYCLOPENTADIENYL) YTTERBIUM (II)TETRAHYDROFURAN HEMI (TOLUENE) AT 176K  

Science Conference Proceedings (OSTI)

Red, paramagnetic ({mu}{sub B} = 7.99 B.M., 5-50K) bis(pentamethylcyclopentadienyl) europium (II)(tetrahydrofuran)(diethylether), (Me{sub 5}C{sub 5}){sub 2}Eu(THF)(Et{sub 2}O) is isolated from reaction of three molar equivalents of sodium pentamethylcyclopentadienide and europium trichloride in refluxing tetrahydrofuran, after crystallization from diethyl ether. The monotetrahydrofuran complex, (Me{sub 5}C{sub 5}){sub 2}Eu(THF), may be isolated by use of toluene rather than diethyl ether as the crystallization solvent. Red, diamagnetic bis(pentamethylcyclopentadienyl)ytterbium(II)(tetrahydrofuran) is isolated from the reaction of ytterbium dichloride and sodium pentamethylcyclopentadienide in refluxing tetrahydrofuran. The diethyl ether complex, (Me{sub 5}C{sub 5}){sub 2}Yb(OEt{sub 2}), may be isolated by crystallization of the tetrahydrofuran complex from diethylether, The hemi-toluene complex, (Me{sub 5}C{sub 5}){sub 2} Yb(THF) {center_dot} 1/2 toluene, can be isolated by recrystallization of the tetrahydrofuran complex from toluene. As these divalent metallocenes are the first hydrocarbon-soluble lanthanide derivatives to be isolated we have examined the latter complex by X-ray crystallography. Crystals of (Me{sub 5}C{sub 5}){sub 2}Yb(OC{sub 4}H{sub 8}) {center_dot} 1/2(C{sub 6}H{sub 5}cH{sub 3}) crystalline in the monoclinic system, P2{sub 1}/n, with a = 11.358(8) {angstrom}, b = 21.756(19) {angstrom}, c = 10.691(7) {angstrom}, and {beta} = 101.84(5){sup o} at 176K. For Z = 4 the calculated density is 1.37 g cm{sup -3}. The ytterbium atom is coordinated to the oxygen atom of a tetrahydrofuran molecule and to two pentamethyl cyclopentadienyl rings. The molecule has approximate c{sub 2} symmetry about the Yb-0 bond. The Yb-0 distance is 2.41 {angstrom}, the Yb-C distances average 2.66 {angstrom}, and the Yb-Cp (centroid) distances average 2.37 {angstrom}. The Me{sub 5}C{sub 5} rings are in a staggered configuration with respect to each other. The methyl groups of the Me{sub 5}C{sub 5} groups are displaced by .03 to .21 {angstrom} from the planes of the five-membered rings away from the ytterbium atom. The toluene molecule is not coordinated to the complex and is on a center of symmetry in a disordered configuration. The 3466 data with F{sup 2} > 3{sigma} refined by full matrix least-squares to a conventional R factor of 0.036.

Tilley, T.Don; Andersen, Richard A.; Spencer, Brock; Ruben, Helena; Zalkin, Allan; Templeton, David H.

1980-04-01T23:59:59.000Z

451

Thermal Hazard Analysis of Methyl Ethyl Ketone Peroxide Ron-Hsin Chang, Chi-Min Shu and Po-Yin Yeh  

E-Print Network (OSTI)

. Additional requirements for the Qualified Person are set forth in NFPA 70E Article 110.6 (D)(1). A person can and according to the applicable codes (OSHA, NFPA 70E, etc.). DEFINITIONS A Competent Person is an individual and NFPA, has received safety training on the hazards involved with electricity, and by virtue of training

Chen, Shu-Ching

452

The versatile E. coli adaptive response protein AlkB mitigates toxicity and mutagenicity of etheno-, ethano-, and methyl-modified bases in vivo  

E-Print Network (OSTI)

The Escherichia coli AlkB protein is an exceptionally versatile DNA repair enzyme. Its expression is induced upon exposure to alkylating agents as part of the Ada-mediated adaptive response. This member of the ac-ketoglu ...

Frick, Lauren Elizabeth

2007-01-01T23:59:59.000Z

453

(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

454

Photoluminescence spectral study of single CdSe/ZnS Colloidal Nanocrystals in Poly(methyl methacrylate) and Quantum Dots molecules  

E-Print Network (OSTI)

of the CdSe/ZnS nanocrystals . . . . . . . .D. CdSe/ZnS NCs in negative photon resist SU-line shapes of single CdSe VI Optical characterization of

Shen, Yaoming

2008-01-01T23:59:59.000Z

455

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

456

Alternatives to Diesel Fuel in California - Fuel Cycle Energy and Emission Effects of Possible Replacements Due to the TAC Diesel Particulate Decision  

DOE Green Energy (OSTI)

Limitations on petroleum-based diesel fuel in California could occur pursuant to the 1998 declaration by California's Air Resources Board (CARB) that the particulate matter component of diesel exhaust is a carcinogen, therefore a toxic air contaminant (TAC) subject to the state's Proposition 65. It is the declared intention of CARB not to ban or restrict diesel fuel, per se, at this time. Assuming no total ban, Argonne National Laboratory (ANL) explored two feasible ''mid-course'' strategies, each of which results in some degree of (conventional) diesel displacement. In the first case, with substantial displacement of compression ignition by spark ignition engines, diesel fuel is assumed admissible for ignition assistance as a pilot fuel in natural gas (NG)-powered heavy-duty vehicles. Gasoline demand in California increases by 32.2 million liters (8.5 million gallons) per day overall, about 21 percent above projected 2010 baseline demand. Natural gas demand increases by 13.6 million diesel liter (3.6 million gallon) equivalents per day, about 7 percent above projected (total) consumption level. In the second case, ressionignition engines utilize substitutes for petroleum-based diesel having similar ignition and performance properties. For each case we estimated localized air emission plus generalized greenhouse gas and energy changes. Fuel replacement by di-methyl ether yields the greatest overall reduction in NOx emissions, though all scenarios bring about PM10 reductions relative to the 2010 baseline, with greatest reductions from the first case described above and the least from fuel replacement by Fischer-Tropsch synthetic diesel. Economic implications of vehicle and engine replacement were not formally evaluated.

Christopher L. Saraicks; Donald M. Rote; Frank Stodolsky; James J. Eberhardt

2000-05-01T23:59:59.000Z

457

Alternatives to diesel fuel in California - fuel cycle energy and emission effects of possible replacements due to the TAC diesel particulate decision.  

DOE Green Energy (OSTI)

Limitations on petroleum-based diesel fuel in California could occur pursuant to the 1998 declaration by California's Air Resources Board (CARB) that the particulate matter component of diesel exhaust is a carcinogen, therefore a toxic air contaminant (TAC) subject to the state's Proposition 65. It is the declared intention of CARB not to ban or restrict diesel fuel per se, at this time. Assuming no total ban, Argonne National Laboratory (ANL) explored two feasible mid-course strategies, each of which results in some degree of (conventional) diesel displacement. In the first case, with substantial displacement of compression-ignition by spark-ignition engines, diesel fuel is assumed admissible for ignition assistance as a pilot fuel in natural gas (NG)-powered heavy-duty vehicles. Gasoline demand in California increases by 32.2 million liters (8.5 million gallons) per day overall, about 21% above