Experimental and theoretical studies of the acid-catalyzed conversion of furfuryl alcohol to levulinic acid in aqueous solution

González Maldonado, Gretchen M.; Assary, Rajeev S.; Dumesic, James; Curtiss, Larry A.

doi:10.1039/C2EE03465D

Title: Experimental and theoretical studies of the acid-catalyzed conversion of furfuryl alcohol to levulinic acid in aqueous solution

Journal Article · Sun Jan 01 00:00:00 EST 2012 · Energy & Environmental Science

DOI:https://doi.org/10.1039/C2EE03465D· OSTI ID:1380976

González Maldonado, Gretchen M.; Assary, Rajeev S.; Dumesic, James; Curtiss, Larry A.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Institute for Atom-efficient Chemical Transformations (IACT)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1380976

Journal Information:: Energy & Environmental Science, Vol. 5, Issue 5; Related Information: IACT partners with Argonne National Laboratory (lead); Brookhaven National Laboratory; Northwestern University; Purdue University; University of Wisconsin at Madison; ISSN 1754-5692

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (19)

Selective preparation of furfural from xylose over microporous solid acid catalysts Moreau, Claude; Durand, Robert; Peyron, Delphine Industrial Crops and Products, Vol. 7, Issue 2-3 https://doi.org/10.1016/S0926-6690(97)00037-X	journal	January 1998
NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities Gottlieb, Hugo E.; Kotlyar, Vadim; Nudelman, Abraham The Journal of Organic Chemistry, Vol. 62, Issue 21 https://doi.org/10.1021/jo971176v	journal	October 1997
Acid-Catalyzed Furfuryl Alcohol Polymerization: Characterizations of Molecular Structure and Thermodynamic Properties Kim, Taejin; Assary, Rajeev S.; Marshall, Christopher L. ChemCatChem, Vol. 3, Issue 9 https://doi.org/10.1002/cctc.201100098	journal	July 2011
Predicted thermochemistry for chemical conversions of 5-hydroxymethylfurfural Assary, Rajeev S.; Redfern, Paul C.; Hammond, Jeff R. Chemical Physics Letters, Vol. 497, Issue 1-3 https://doi.org/10.1016/j.cplett.2010.07.082	journal	September 2010
The conversion of lignocellulosics to levulinic acid Rackemann, Darryn W.; Doherty, William OS Biofuels, Bioproducts and Biorefining, Vol. 5, Issue 2 https://doi.org/10.1002/bbb.267	journal	January 2011
Mechanism of levulinic acid formation Horvat, Jaroslav; Klaić, Branimir; Metelko, Biserka Tetrahedron Letters, Vol. 26, Issue 17, p. 2111-2114 https://doi.org/10.1016/S0040-4039(00)94793-2	journal	January 1985
Absolute Hydration Free Energy of the Proton from First-Principles Electronic Structure Calculations Zhan, Chang-Guo; Dixon, David A. The Journal of Physical Chemistry A, Vol. 105, Issue 51 https://doi.org/10.1021/jp012536s	journal	December 2001
Conversion of cellulose to hydrocarbon fuels by progressive removal of oxygen Serrano-Ruiz, Juan Carlos; Braden, Drew J.; West, Ryan M. Applied Catalysis B: Environmental, Vol. 100, Issue 1-2, p. 184-189 https://doi.org/10.1016/j.apcatb.2010.07.029	journal	October 2010
Technology development for the production of biobased products from biorefinery carbohydrates—the US Department of Energy’s “Top 10” revisited Bozell, Joseph J.; Petersen, Gene R. Green Chemistry, Vol. 12, Issue 4, p. 539-554 https://doi.org/10.1039/b922014c	journal	January 2010
On the mechanism of selective oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid over supported Pt and Au catalysts Davis, Sara E.; Zope, Bhushan N.; Davis, Robert J. Green Chemistry, Vol. 14, Issue 1, p. 143-147 https://doi.org/10.1039/C1GC16074E	journal	January 2012
Production of levulinic acid and use as a platform chemical for derived products Bozell, Joseph J.; Moens, L.; Elliott, D. C. Resources, Conservation and Recycling, Vol. 28, Issue 3-4, p. 227-239 https://doi.org/10.1016/S0921-3449(99)00047-6	journal	February 2000
Theoretical Study of 1,2-Hydride Shift Associated with the Isomerization of Glyceraldehyde to Dihydroxy Acetone by Lewis Acid Active Site Models Assary, Rajeev S.; Curtiss, Larry A. The Journal of Physical Chemistry A, Vol. 115, Issue 31 https://doi.org/10.1021/jp204371g	journal	August 2011
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G. The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n	journal	May 2009
Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid Assary, Rajeev S.; Redfern, Paul C.; Hammond, Jeff R. The Journal of Physical Chemistry B, Vol. 114, Issue 27 https://doi.org/10.1021/jp101418f	journal	July 2010
Liquid phase hydrogenation of furfural to furfuryl alcohol over the Fe-promoted Ni-B amorphous alloy catalysts Li, Hexing; Luo, Hongshan; Zhuang, Li Journal of Molecular Catalysis A: Chemical, Vol. 203, Issue 1-2 https://doi.org/10.1016/S1381-1169(03)00368-6	journal	September 2003
Gaussian-4 theory using reduced order perturbation theory Curtiss, Larry A.; Redfern, Paul C.; Raghavachari, Krishnan The Journal of Chemical Physics, Vol. 127, Issue 12 https://doi.org/10.1063/1.2770701	journal	September 2007
Mechanistic Insights into the Decomposition of Fructose to Hydroxy Methyl Furfural in Neutral and Acidic Environments Using High-Level Quantum Chemical Methods Assary, Rajeev S.; Redfern, Paul C.; Greeley, Jeffrey The Journal of Physical Chemistry B, Vol. 115, Issue 15 https://doi.org/10.1021/jp1104278	journal	April 2011
Gaussian-4 theory Curtiss, Larry A.; Redfern, Paul C.; Raghavachari, Krishnan The Journal of Chemical Physics, Vol. 126, Issue 8 https://doi.org/10.1063/1.2436888	journal	February 2007
Catalytic upgrading of levulinic acid to 5-nonanone Serrano-Ruiz, Juan Carlos; Wang, Dong; Dumesic, James A. Green Chemistry, Vol. 12, Issue 4 https://doi.org/10.1039/b923907c	journal	January 2010

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References (19)

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