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Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography

Description: This article discusses the study of ether-, alcohol, or cyano-functionalized ionic liquids using inverse gas chromatography.
Date: March 11, 2010
Creator: Revelli, Anne-Laure; Mutelet, Fabrice; Jaubert, Jean-Noël; Garcia-Martinez, Marina; Sprunger, Laura M.; Acree, William E. (William Eugene) et al.
Partner: UNT College of Arts and Sciences

Anion solvation in alcohols

Description: Anion solvation is measured in alcohols using pump-probe pulse radiolysis and the activation energy of solvation is determined. Solvation of an anion appears to be different than excited state solvation. The continuum dielectric model does not appear to explain the results.
Date: March 1996
Creator: Jonah, C. D.; Xujia, Zhang & Lin, Yi
Partner: UNT Libraries Government Documents Department

CRADA with International Polyol Chemicals, Inc. (IPCI) and Pacific Northwest National Laboratory (PNL-053): Process Optimization for Polyols Production from Glucose

Description: The objective of this CRADA is to provide sufficient process development to allow a decision for commercialization of the International Polyol Chemicals, Inc. (IPCI) process for production of polyols from glucose. This cooperative research allowed Pacific Northwest National Laboratory (PNNL) to focus its aqueous processing systems expertise on the IPCI process to facilitate process optimization. The project was part of the Department of Energy's (DOE/EE-OIT) Alternative Feedstocks Program (AFP). The project was a demonstration of the cooperative effort between the AFP and the Department of Agriculture's Alternative Agriculture Research Center, which was also funding IPCI research.
Date: January 1, 1997
Creator: Elliott, D.C.
Partner: UNT Libraries Government Documents Department

Analysis of the Effects of Compositional and Configurational Assumptions on Product Costs for the Thermochemical Conversion of Lignocellulosic Biomass to Mixed Alcohols – FY 2007 Progress Report

Description: The purpose of this study was to examine alternative biomass-to-ethanol conversion process assumptions and configuration options to determine their relative effects on overall process economics. A process-flow-sheet computer model was used to determine the heat and material balance for each configuration that was studied. The heat and material balance was then fed to a costing spreadsheet to determine the impact on the ethanol selling price. By examining a number of operational and configuration alternatives and comparing the results to the base flow sheet, alternatives having the greatest impact the performance and cost of the overall system were identified and used to make decisions on research priorities. This report, which was originally published in December 2008, has been revised primarily to correct information presented in Appendix B -- Base Case Flow Sheets and Model Results. The corrections to Appendix B include replacement of several pages in Table B.1 that duplicated previous pages of the table. Other changes were made in Appendix B to correct inconsistencies between stream labels presented in the tables and the stream labels in the figures.
Date: February 1, 2009
Creator: Zhu, Yunhua; Gerber, Mark A.; Jones, Susanne B. & Stevens, Don J.
Partner: UNT Libraries Government Documents Department

Cleaning Products and Air Fresheners: Emissions and ResultingConcentrations of Glycol Ethers and Terpenoids

Description: Experiments were conducted to quantify emissions and concentrations of glycol ethers and terpenoids from cleaning product and air freshener use in a 50-m{sup 3} room ventilated at {approx}0.5 h{sup -1}. Five cleaning products were applied full-strength (FS); three were additionally used in dilute solution. FS application of pine-oil cleaner (POC) yielded 1-h concentrations of 10-1300 {micro}g m{sup -3} for individual terpenoids, including {alpha}-terpinene (90-120), d-limonene (1000-1100), terpinolene (900-1300), and {alpha}-terpineol (260-700). One-hour concentrations of 2-butoxyethanol and/or dlimonene were 300-6000 {micro}g m{sup -3} after FS use of other products. During FS application including rinsing with sponge and wiping with towels, fractional emissions (mass volatilized/dispensed) of 2-butoxyethanol and d-limonene were 50-100% with towels retained, {approx}25-50% when towels were removed after cleaning. Lower fractions (2-11%) resulted from dilute use. Fractional emissions of terpenes from FS use of POC were {approx}35-70% with towels retained, 20-50% with towels removed. During floor cleaning with dilute solution of POC, 7-12% of dispensed terpenes were emitted. Terpene alcohols were emitted at lower fractions: 7-30% (FS, towels retained), 2-9% (FS, towels removed), and 2-5% (dilute). During air-freshener use, d-limonene, dihydromyrcenol, linalool, linalyl acetate, and {beta}-citronellol were emitted at 35-180 mg d{sup -1} over three days while air concentrations averaged 30-160 {micro}g m{sup -3}.
Date: August 1, 2005
Creator: Singer, Brett C.; Destaillat, Hugo; Hodgson, Alfred T. & Nazaroff,William W.
Partner: UNT Libraries Government Documents Department

Quarterly Technical Progress Report

Description: This report presents the work done on " Investigation of Syngas Interaction in Alcohol Synthesis Catalysts" during the last quarter. FTIR absorption studies on Cu/Co/Cr catalysts using CO as a probe molecule are presented in this report. A comprehensive FTIR investigation on the catalysts was undertaken to unfold the picture of the gas - metal interactions. Our magnetization studies have provided valuable information on the changes in the magnetic character of the ferromagnetic metal due to CO adsorption. The FTIR results showing the effect of the adsorbate-adsorbent interactions on the stretching frequencies of the CO vibrational modes are presented in this report.
Date: December 2, 1998
Creator: Akundi, Murty A.
Partner: UNT Libraries Government Documents Department

Batch Microreactor Studies of Base Catalyzed Ligin Depolymerization in Alcohol Solvents

Description: The depolymerization of organosolv-derived lignins by bases in methanol or ethanol solvent was studied in rapidly heated batch microreactors. The conversion of lignin to ether solubles by KOH in methanol or ethanol was rapid at 290 "C, reaching the maximum value within 10-15 minutes. An excess of base relative to Lignin monomer units was required for maximum conversion. Strong bases (KOH, NaOH, CSOH) convert more of the lignin to ether soluble material than do weaker bases LiOH, Ca(OH)2, and NacCO2). Ethanol and methanol are converted to acetic and formic acid respectively under the reaction conditions with an activation energy of approximately 50 kcal/mol. This results in a loss of solvent, but more importantly neutralizes the base catalyst, halting forward progress of the reaction.
Date: February 3, 1999
Creator: Evans, L.; Littlewolf, A.; Lopez, M. & Miller, J.E.
Partner: UNT Libraries Government Documents Department

Studies of cosolvent systems in supercritical ethane using solvated electrons.

Description: In this paper, pulse-radiolytic studies of the methanol-ethane cosolvent system are carried out. Our results show that at temperatures below approximately 110 C, there are high local concentrations of alcohols (clusters) that are capable of solvating an electron, suggesting a size of approximately 4-5 methanol molecules at approximately 0.15 mole fraction alcohol. Reactions have been carried out between these solvated electrons and silver ions that are (presumably) dissolved in other small clusters of alcohols. These results show that the reaction between species in two different clusters is approximately 2 orders of magnitude slower than diffusion-controlled reactions.
Date: November 14, 2000
Creator: Dimitrijevic, N. M.; Bartels, D. M.; Jonah, C. D. & Takahashi, K.
Partner: UNT Libraries Government Documents Department

The Economical Production of Alcohol Fuels From Coal-Derived Synthesis Gas

Description: During this time period, at WVU, we tried several methods to eliminate problems related to condensation of heavier products when reduced Mo-Ni-K/C materials were used as catalysts. We then resumed our kinetic study on the reduced Mo-Ni-K/C catalysts. We have also obtained same preliminary results in our attempts to analyze quantitatively the temperature-programmed reduction (TPR) spectra for C-supported Mo-based catalysts. We have completed the kinetic study for the sulfided Co-K-MoS /C catalyst. We have compared the results of methanol synthesis 2 using the membrane reactor with those using a simple plug-flow reactor. At UCC, the complete characterization of selected catalysts has been completed. The results suggest that catalyst pretreatment under different reducing conditions yield different surface compositions and thus different catalytic reactivities.
Date: February 1, 1998
Partner: UNT Libraries Government Documents Department

Enzyme-Like Catalysis of the Nazarov Cyclization by Supramolecular Encapsulation

Description: A primary goal in the design and synthesis of molecular hosts has been the selective recognition and binding of a variety of guests using non-covalent interactions. Supramolecular catalysis, which is the application of such hosts towards catalysis, has much in common with many enzymatic reactions, chiefly the use of both spatially appropriate binding pockets and precisely oriented functional groups to recognize and activate specific substrate molecules. Although there are now many examples which demonstrate how selective encapsulation in a host cavity can enhance the reactivity of a bound guest, all have failed to reach the degree of increased reactivity typical of enzymes. We now report the catalysis of the Nazarov cyclization by a self-assembled coordination cage, a carbon-carbon bond-forming reaction which proceeds under mild, aqueous conditions. The acceleration in this system is over a million-fold, and represents the first example of supramolecular catalysis that achieves the level of rate enhancement comparable to that observed in several enzymes. We explain the unprecedented degree of rate increase as due to the combination of (a) preorganization of the encapsulated substrate molecule, (b) stabilization of the transition state of the cyclization by constrictive binding, and (c) increase in the basicity of the complexed alcohol functionality.
Date: March 29, 2010
Creator: Hastings, Courtney; Pluth, Michael; Bergman, Robert & Raymond, Kenneth
Partner: UNT Libraries Government Documents Department

REVERSIBLE CONVERSION BETWEEN CHEMICAL AND ELECTRICAL ENERGIES CATALYZED BY Ru COMPLEXES AIMED TO CONSTRUCT SUSTAINABLE SOCIETY.

Description: The present study demonstrates that [Ru{sup II}(NH{sub 3})(q)(trpy)]{sup +} has an ability to oxidize alcohols catalytically under very mild conditions under electrolysis at +0.35 V in MeOH. The elucidation of the reaction mechanisms in the alcohol-oxidation is underway.
Date: November 30, 2007
Creator: TANAKA,K.; WADA, T.; FUJITA, E. & MUCKERMAN, J.
Partner: UNT Libraries Government Documents Department

Analysis of the Effects of Compositional and Configurational Assumptions on Product Costs for the Thermochemical Conversion of Lignocellulosic Biomass to Mixed Alcohols -- FY 2007 Progress Report

Description: The purpose of this study was to examine alternative biomass-to-ethanol conversion process assumptions and configuration options to determine their relative effects on overall process economics. A process-flow-sheet computer model was used to determine the heat and material balance for each configuration that was studied. The heat and material balance was then fed to a costing spreadsheet to determine the impact on the ethanol selling price. By examining a number of operational and configuration alternatives and comparing the results to the base flow sheet, alternatives having the greatest impact the performance and cost of the overall system were identified and used to make decisions on research priorities.
Date: December 5, 2008
Creator: Zhu, Yunhua; Gerber, Mark A.; Jones, Susanne B. & Stevens, Don J.
Partner: UNT Libraries Government Documents Department

Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational Report

Description: The U.S. Department of Energy is conducting a program focused on developing a process for the conversion of biomass to bio-based fuels and co-products. Biomass-derived syngas is converted thermochemically within a temperature range of 240 to 330°C and at elevated pressure (e.g., 1200 psig) over a catalyst. Ethanol is the desired reaction product, although other side compounds are produced, including C3 to C5 alcohols; higher (i.e., greater than C1) oxygenates such as methyl acetate, ethyl acetate, acetic acid and acetaldehyde; and higher hydrocarbon gases such as methane, ethane/ethene, propane/propene, etc. Saturated hydrocarbon gases (especially methane) are undesirable because they represent a diminished yield of carbon to the desired ethanol product and represent compounds that must be steam reformed at high energy cost to reproduce CO and H2. Ethanol produced by the thermochemical reaction of syngas could be separated and blended directly with gasoline to produce a liquid transportation fuel. Additionally, higher oxygenates and unsaturated hydrocarbon side products such as olefins also could be further processed to liquid fuels. The goal of the current project is the development of a Rh-based catalyst with high activity and selectivity to C2+ oxygenates. This report chronicles an effort to characterize numerous supports and catalysts to identify particular traits that could be correlated with the most active and/or selective catalysts. Carbon and silica supports and catalysts were analyzed. Generally, analyses provided guidance in the selection of acceptable catalyst supports. For example, supports with high surface areas due to a high number of micropores were generally found to be poor at producing oxygenates, possibly because of mass transfer limitations of the products formed out of the micropores. To probe fundamental aspects of the complicated reaction network of CO with H2, a computational/ theoretical investigation using quantum mechanical and ab initio molecular dynamics calculations was initiated in ...
Date: August 1, 2013
Creator: Albrecht, Karl O.; Glezakou, Vassiliki Alexandra; Rousseau, Roger J.; Engelhard, Mark H.; Varga, Tamas; Colby, Robert J. et al.
Partner: UNT Libraries Government Documents Department

Safer Vehicles for People and the Planet: Letter to the Editor

Description: Letter to the Editors from Leonard Evans, Bloomfield Hills, MI: Single-vehicle crashes, which account for half of occupant fatalities, are not mentioned in 'Safer Vehicles for People and the Planet', by Thomas P. Wenzel and Marc Ross (March-April). Simple physics shows that in such crashes risk declines as vehicle mass increases. The authors write 'driving imported luxury cars carries extremely low risk, for reasons that are not obvious'. The reasons are obvious--the cars are purchased by low-risk drivers. If they swapped vehicles with drivers of sports cars (which have high risk), the risks would stick with the drivers, not the vehicles. The article reflects the American belief that death on our roads can be substantially reduced by making vehicles in which it is safer to crash. From 1979 through 2002, Great Britain, Canada and Australia reduced fatalities by an average of 49 percent, compared with 16 percent in the U.S. Accumulating the differences over this time shows that by merely matching the safety performance of these other countries, about 200,000 fewer Americans would have died. These trends continue. In 2006 the U.S. recorded 42,642 traffic deaths, a modest 22 percent decline from our all-time high. Sweden recorded 445, a reduction of 66 percent from their all-time high. The obsessive focus on vehicles rather than on countermeasures that scientific research shows substantially reduce risk is at the core of our dramatic safety failure. The only way to substantially reduce deaths is to reduce the risk of crashing, not to make it safer to crash. The response from Drs. Wenzel and Ross: Of course Dr. Evans is correct in stating that driver behavior influences crash risk. In our article we made clear that our estimates of risk include how well a vehicle/driver combination avoids a crash, as well as how crash-worthy a ...
Date: May 1, 2008
Creator: Wenzel, Thomas P; Wenzel, Thomas P & Ross, Marc
Partner: UNT Libraries Government Documents Department