2013

Publications

2013

  • V. Choudhary, S. Caratzoulas and D. G. Vlachos, Insights into the isomerization of xylose to xylulose and lyxose by a Lewis acid catalyst, Carbohyd. Res. 368, 89-95 (2013).
  • V. Choudhary, S. H. Mushrif, C. Ho, A. Anderko, V. Nikolakis, N. S. Marinkovic, A. I. Frenkel, S. I. Sandler and D. G. Vlachos, Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5-(Hydroxymethyl)furfural and Levulinic Acid in Aqueous Media, J. Am. Chem. Soc. 135(10), 3997-4006 (2013).
  • V. Choudhary, A. B. Pinar, R. F. Lobo, D. G. Vlachos and S. I. Sandler, Comparison of Homogeneous and Heterogeneous Catalysts for Glucose-to-Fructose Isomerization in Aqueous Media, ChemSusChem 6(12), 2369-2376 (2013).
  • M. A. Christiansen, G. Mpourmpakis and D. G. Vlachos, Density Functional Theory-Computed Mechanisms of Ethylene and Diethyl Ether Formation from Ethanol on γ-Al2O3(100), ACS Catal. 3(9), 1965-1975 (2013).
  • M. A. Delichatsios, M. Gummala and D. G. Vlachos, Extinction in solid fuel combustion: Part II Detailed model, Fire Safety Journal 56, 1-8 (2013).
  • M. A. Delichatsios, M. Gummala and D. G. Vlachos, Extinction of surface stabilized gaseous diffusion flames: Part I Simplified numerical model and implications for solid fuels in fires, Fire Safety J. 55, 152-159 (2013).
  • W. Guo, M. Stamatakis and D. G. Vlachos, Design Principles of Heteroepitaxial Bimetallic Catalysts, ACS Catal. 3(10), 2248-2255 (2013).
  • W. Guo and D. G. Vlachos, Effect of local metal microstructure on adsorption on bimetallic surfaces: Atomic nitrogen on Ni/Pt(111), J. Chem. Phys. 138(17), No. 174702; 8 pgs. (2013).
  • J. Jae, W. Zheng, R. F. Lobo and D. G. Vlachos, Production of Dimethylfuran from Hydroxymethylfurfural through Catalytic Transfer Hydrogenation with Ruthenium Supported on Carbon, ChemSusChem 6(7), 1158-1162 (2013).
  • J. S. Kruger, V. Choudhary, V. Nikolakis and D. G. Vlachos, Elucidating the Roles of Zeolite H-BEA in Aqueous-Phase Fructose Dehydration and HMF Rehydration, ACS Catal. 3(6), 1279-1291 (2013).
  • M. León, T. D. Swift, V. Nikolakis and D. G. Vlachos, Adsorption of the Compounds Encountered in Monosaccharide Dehydration in Zeolite Beta, Langmuir 29(22), 6597-6605 (2013).
  • N. Nikbin, S. Caratzoulas and D. G. Vlachos, On the Brønsted Acid-Catalyzed Homogeneous Hydrolysis of Furans, ChemSusChem 6(11), 2066-2068 (2013).
  • N. Nikbin, P. T. Do, S. Caratzoulas, R. F. Lobo, P. J. Dauenhauer and D. G. Vlachos, A DFT study of the acid-catalysed conversion of 2,5-dimethylfuran and ethylene to p-xylene, J. Catal. 297, 35-43 (2013).
  • Y. Pantazis, M. A. Katsoulakis and D. G. Vlachos, Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory, BMC Bioinformatics 14, Article 311 (2013).
  • N. R. Peela, W. Zheng, I. C. Lee, A. M. Karim and D. G. Vlachos, Core–Shell Nanocatalyst Design by Combining High-Throughput Experiments and First-Principles Simulations, ChemCatChem 5(12), 3712-3718 (2013).
  • N. Rai, S. Caratzoulas and D. G. Vlachos, Role of Silanol Group in Sn-Beta Zeolite for Glucose Isomerization and Epimerization Reactions, ACS Catal. 3, 2294-2298 (2013).
  • H. Ren, W. Yu, M. Salciccioli, Y. Chen, Y. Huang, K. Xiong, D. G. Vlachos and J. G. Chen, Selective Hydrodeoxygenation of Biomass-Derived Oxygenates to Unsaturated Hydrocarbons using Molybdenum Carbide Catalysts, ChemSusChem 6(5), 798-801 (2013).
  • J. E. Sutton, P. Panagiotopoulou, X. E. Verykios and D. G. Vlachos, Combined DFT, microkinetic, and experimental study of ethanol steam reforming on Pt, J. Phys. Chem. C 117(9), 4691-4706 (2013).
  • J. E. Sutton and D. G. Vlachos, Error estimates in semi-empirical estimation methods of surface reactions, J. Catal. 297, 202-216 (2013).
  • T. D. Swift, C. Bagia, V. Nikolakis, D. G. Vlachos, G. Peklaris, P. Dornath and W. Fan, Reactive adsorption for the selective dehydration of sugars to furans: Modeling and experiments AIChE J. 59(9), 3378-3390 (2013).
  • S. A. Tupy, J. G. Chen and D. G. Vlachos, Comparison of ethylene glycol steam reforming over Pt and NiPt catalysts on various supports, Top. Catal. 56, 1644-1650 (2013).
  • T. Wang, G. Mpourmpakis, W. W. Lonergan, D. G. Vlachos and J. G. Chen, Effect of oxide supports in stabilizing desirable Pt–Ni bimetallic structures for hydrogenation and reforming reactions, Phys. Chem. Chem. Phys. 15(29), 12156-12164 (2013).