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Papers by Amit Gokhale
Green Chemistry, 2016
Self-condensation of biomass-derived methyl ketones catalyzed by solid bases or acids produces co... more Self-condensation of biomass-derived methyl ketones catalyzed by solid bases or acids produces corresponding cyclic trimers exclusively in excellent yields. Hydrogenated versions of such trimers can be good lubricants.
Catalysis Science & Technology
Spectroscopic, kinetic and theoretical insights guide the design of PdCu dehydrogenation catalysts.
ACS Sustainable Chemistry & Engineering
Accounts of Chemical Research
Sustainable Energy Fuels
We describe catalytic sequences for converting biomass-derived carboxylic acids, to fuels and lub... more We describe catalytic sequences for converting biomass-derived carboxylic acids, to fuels and lubricants that are compatible with the existing energy infrastructure.
The Journal of Physical Chemistry C, 2008
The research described in this product was performed in part in the Environmental Molecular Scien... more The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We present a microkinetic model as well as experimental data for the low-temperature water gas shift (WGS) reaction catalyzed by
Journal of Crystal Growth, May 1, 2007
Journal of the American Chemical Society, 2016
Proceedings of the National Academy of Sciences, 2015
Decarbonizing the transportation sector is critical to achieving global climate change mitigation... more Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a method for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailor...
Environmental science & technology, Jan 5, 2014
Cellulosic ethanol can achieve estimated greenhouse gas (GHG) emission reductions greater than 80... more Cellulosic ethanol can achieve estimated greenhouse gas (GHG) emission reductions greater than 80% relative to gasoline, largely as a result of the combustion of lignin for process heat and electricity in biorefineries. Most studies assume lignin is combusted onsite, but exporting lignin to be cofired at coal power plants has the potential to substantially reduce biorefinery capital costs. We assess the life-cycle GHG emissions, water use, and capital costs associated with four representative biorefinery test cases. Each case is evaluated in the context of a U.S. national scenario in which corn stover, wheat straw, and Miscanthus are converted to 1.4 EJ (60 billion liters) of ethanol annually. Life-cycle GHG emissions range from 4.7 to 61 g CO2e/MJ of ethanol (compared with ∼ 95 g CO2e/MJ of gasoline), depending on biorefinery configurations and marginal electricity sources. Exporting lignin can achieve GHG emission reductions comparable to onsite combustion in some cases, reduce li...
Topics in Catalysis, 2006
Page 1. Prediction of experimental methanol decomposition rates on platinum from first principles... more Page 1. Prediction of experimental methanol decomposition rates on platinum from first principles Shampa Kandoi, Jeff Greeley, Marco A. Sanchez-Castillo, Steven T. Evans, Amit A. Gokhale, James A. Dumesic, and Manos Mavrikakis ...
Green Chemistry, 2016
Self-condensation of biomass-derived methyl ketones catalyzed by solid bases or acids produces co... more Self-condensation of biomass-derived methyl ketones catalyzed by solid bases or acids produces corresponding cyclic trimers exclusively in excellent yields. Hydrogenated versions of such trimers can be good lubricants.
Catalysis Science & Technology
Spectroscopic, kinetic and theoretical insights guide the design of PdCu dehydrogenation catalysts.
ACS Sustainable Chemistry & Engineering
Accounts of Chemical Research
Sustainable Energy Fuels
We describe catalytic sequences for converting biomass-derived carboxylic acids, to fuels and lub... more We describe catalytic sequences for converting biomass-derived carboxylic acids, to fuels and lubricants that are compatible with the existing energy infrastructure.
The Journal of Physical Chemistry C, 2008
The research described in this product was performed in part in the Environmental Molecular Scien... more The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We present a microkinetic model as well as experimental data for the low-temperature water gas shift (WGS) reaction catalyzed by
Journal of Crystal Growth, May 1, 2007
Journal of the American Chemical Society, 2016
Proceedings of the National Academy of Sciences, 2015
Decarbonizing the transportation sector is critical to achieving global climate change mitigation... more Decarbonizing the transportation sector is critical to achieving global climate change mitigation. Although biofuels will play an important role in conventional gasoline and diesel applications, bioderived solutions are particularly important in jet fuels and lubricants, for which no other viable renewable alternatives exist. Producing compounds for jet fuel and lubricant base oil applications often requires upgrading fermentation products, such as alcohols and ketones, to reach the appropriate molecular-weight range. Ketones possess both electrophilic and nucleophilic functionality, which allows them to be used as building blocks similar to alkenes and aromatics in a petroleum refining complex. Here, we develop a method for selectively upgrading biomass-derived alkyl methyl ketones with >95% yields into trimer condensates, which can then be hydrodeoxygenated in near-quantitative yields to give a new class of cycloalkane compounds. The basic chemistry developed here can be tailor...
Environmental science & technology, Jan 5, 2014
Cellulosic ethanol can achieve estimated greenhouse gas (GHG) emission reductions greater than 80... more Cellulosic ethanol can achieve estimated greenhouse gas (GHG) emission reductions greater than 80% relative to gasoline, largely as a result of the combustion of lignin for process heat and electricity in biorefineries. Most studies assume lignin is combusted onsite, but exporting lignin to be cofired at coal power plants has the potential to substantially reduce biorefinery capital costs. We assess the life-cycle GHG emissions, water use, and capital costs associated with four representative biorefinery test cases. Each case is evaluated in the context of a U.S. national scenario in which corn stover, wheat straw, and Miscanthus are converted to 1.4 EJ (60 billion liters) of ethanol annually. Life-cycle GHG emissions range from 4.7 to 61 g CO2e/MJ of ethanol (compared with ∼ 95 g CO2e/MJ of gasoline), depending on biorefinery configurations and marginal electricity sources. Exporting lignin can achieve GHG emission reductions comparable to onsite combustion in some cases, reduce li...
Topics in Catalysis, 2006
Page 1. Prediction of experimental methanol decomposition rates on platinum from first principles... more Page 1. Prediction of experimental methanol decomposition rates on platinum from first principles Shampa Kandoi, Jeff Greeley, Marco A. Sanchez-Castillo, Steven T. Evans, Amit A. Gokhale, James A. Dumesic, and Manos Mavrikakis ...