2014

Publications

2014

  • S. Caratzoulas, M. E. Davis, R. J. Gorte, R. Gounder, R. F. Lobo, V. Nikolakis, S. I. Sandler, M. A. Snyder, M. Tsapatsis and D. G. Vlachos, Challenges of and Insights into Acid-Catalyzed Transformations of Sugars, J. Phys. Chem. C 118(40), 22815-22833 (2014).
  • W. Guo and D. G. Vlachos, On Factors Controlling Activity of Submonolayer Bimetallic Catalysts: Nitrogen Desorption, J. Chem. Phys. 140(1), Article Number: 014703 (2014).
  • J. Jae, E. Mahmoud, R. F. Lobo and D. G. Vlachos, Cascade of Liquid-Phase Catalytic Transfer Hydrogenation and Etherification of Hydroxymethylfurfural to Potential Bio-diesel Components over Lewis Acid Zeolites, ChemCatChem 6(2), 508-513 (2014).
  • J. Jae, W. Zheng, A. M. Karim, W. Guo, R. F. Lobo and D. G. Vlachos, The Role of Ru and RuO2 in the Catalytic Transfer Hydrogenation of 5-Hydroxymethylfurfural for the Production of 2,5-Dimethylfuran, ChemCatChem 6(3), 848-856 (2014).
  • G. R. Jenness, M. A. Christiansen, S. Caratzoulas, D. G. Vlachos and R. J. Gorte, Site-Dependent Lewis Acidity of γ-Al2O3 and Its Impact on Ethanol Dehydration and Etherification, J. Phys. Chem. C 118(24), 12899-12907 (2014).
  • T. R. Josephson, G. Tsilomelekis, C. Bagia, V. Nikolakis, D. G. Vlachos and S. Caratzoulas, Solvent-Induced Frequency Shifts of 5-Hydroxymethylfurfural Deduced via Infrared Spectroscopy and ab Initio Calculations, J. Phys. Chem. A 118(51), 12149-12160 (2014).
  • J. S. Kruger, V. Nikolakis and D. G. Vlachos, Aqueous-Phase Fructose Dehydration Using Brønsted Acid Zeolites: Catalytic Activity of Dissolved Aluminosilicate Species, Appl. Catal. A: General 469, 116-123 (2014).
  • W. S. Lee, Z. S. Wang, W. Zheng, D. G. Vlachos and A. Bhan, Vapor phase hydrodeoxygenation of furfural to 2-methylfuran on molybdenum carbide catalysts, Catal. Sci. Technol. 4(8), 2340-2352 (2014).
  • J. Luo, J. Y. Yu, R. J. Gorte, E. Mahmoud, D. G. Vlachos and M. A. Smith, The effect of oxide acidity on HMF etherification, Catal. Sci. Technol. 4(9), 3074-3081 (2014).
  • J. McGill, B. Ogunnaike and D. G. Vlachos, A robust and efficient triangulation-based optimization algorithm for stochastic black-box systems, Comput. Chem. Eng. 60, 143-153 (2014).
  • M. S. Mettler, A. D. Paulsen, D. G. Vlachos and P. J. Dauenhauer, Tuning cellulose pyrolysis chemistry: selective decarbonylation via catalyst-impregnated pyrolysis, Catal. Sci. Technol. 4(11), 3822-3825 (2014).
  • S. H. Mushrif, J. J. Varghese and D. G. Vlachos, Insights into the Cr(III) catalyzed isomerization mechanism of glucose to fructose in the presence of water using ab initio molecular dynamics, Phys. Chem. Chem. Phys. 16(36), 19564-19572 (2014).
  • N. Nikbin, S. Caratzoulas and D. G. Vlachos, On the oligomerization mechanism of Bronsted acid-catalyzed conversion of furans to diesel-range fuels, Appl. Catal. A-Gen. 485, 118-122 (2014).
  • N. Nikbin, S. T. Feng, S. Caratzoulas and D. G. Vlachos, p-Xylene Formation by Dehydrative Aromatization of a Diels-Alder Product in Lewis and Brønsted Acidic Zeolites, J. Phys. Chem. C 118(42), 24415-24424 (2014).
  • P. Panagiotopoulou, N. Martin and D. G. Vlachos, Effect of hydrogen donor on liquid phase catalytic transfer hydrogenation of furfural over a Ru/RuO2/C catalyst, J. Mol. Catal. A: Chem. 392, 223-228 (2014).
  • P. Panagiotopoulou and D. G. Vlachos, Liquid Phase Catalytic Transfer Hydrogenation of Furfural Over Ru/C Catalyst, Appl. Catal. A: General 480, 17-24 (2014).
  • N. R. Peela, J. E. Sutton, I. C. Lee and D. G. Vlachos, Microkinetic Modeling of Ethane Total Oxidation on Pt, Ind. Eng. Chem. Res. 53(24), 10051-10058 (2014).
  • H. Ren, Y. Chen, Y. Huang, W. Deng, D. G. Vlachos and J. G. Chen, Tungsten carbides as selective deoxygenation catalysts: experimental and computational studies of converting C3 oxygenates to propene, Green Chem. 16(2), 761-769 (2014).
  • T. D. Swift, C. Bagia, V. Choudhary, G. Peklaris, V. Nikolakis and D. G. Vlachos, Kinetics of Homogeneous Brønsted Acid Catalyzed Fructose Dehydration and 5-Hydroxymethyl Furfural Rehydration: A Combined Experimental and Computational Study, ACS Catal. 4(1), 259-267 (Correction – 04/01/14: Volume 4, Issue 5, Page 1320, DOI: 10.1021/cs500313w) (2014).
  • V. Vorotnikov, S. Wang and D. G. Vlachos, Group Additivity for Estimating Thermochemical Properties of Furanic Compounds on Pd(111), Ind. Eng. Chem. Res. 53(30), 11929-11938 (2014).
  • S. Wang, V. Vorotnikov, J. E. Sutton and D. G. Vlachos, Brønsted-Evans-Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules, ACS Catal. 4(2), 604-612 (2014).
  • S. Wang, V. Vorotnikov and D. G. Vlachos, A DFT study of furan hydrogenation and ring opening on Pd(111), Green Chem. 16(2), 736-747 (2014).
  • R. Xiong, M. León, V. Nikolakis, S. I. Sandler and D. G. Vlachos, Adsorption of HMF from Water/DMSO Solutions onto Hydrophobic Zeolites: Experiment and Simulation, ChemSusChem 7(1), 236-244 (2014).
  • R. C. Xiong, S. I. Sandler, D. G. Vlachos and P. J. Dauenhauer, Solvent-tuned hydrophobicity for faujasite-catalyzed cycloaddition of biomass-derived dimethylfuran for renewable p-xylene, Green Chem. 16(9), 4086-4091 (2014).
  • W. Yu, M. Salciccioli, K. Xiong, M. A. Barteau, D. G. Vlachos and J. G. Chen, Theoretical and Experimental Studies of C-C versus C-O Bond Scission of Ethylene Glycol Reaction Pathways via Metal-Modified Molybdenum Carbides, ACS Catal. 4(5), 1409-1418 (2014).