Bell, Alexis T. - University of California, Berkeley - Chemical & Biomolecular Engineering

个人简介

Professor; Faculty Senior Scientist, LBNL; B.S., Massachusetts Institute of Technology (1964) Sc.D., Massachusetts Institute of Technology (1967). Curtis W. McGraw Award for Research, American Association of Engineering Education; the Professional Progress and R. H. Wilhelm Awards, the American Institute of Chemical Engineers; Paul H. Emmett Award in Fundamental Catalysis, Catalysis Society; National Academy of Engineering (1987) Fellow of the American Association for the Advancement of Science (1988), the ACS Award for Creative Research in Homogeneous or Heterogeneous Catalysis, American Chemical Society (2001); Honorary Professor, Siberian Branch of the Russian Academy of Sciences (2001), William H. Walker Award of the AIChE (2005), Elected to the American Academy of Arts and Sciences (2007).

研究领域

Understanding the fundamental relationships between the structure and composition of heterogeneous catalysts and their performance. Professor Bell studies reaction mechanisms in order to identify factors limiting the activity and selectivity of catalysts. Reaction systems being investigated by his group include the synthesis of oxygenated compounds from COx (x = 1, 2), the conversion of alkanes to olefins and oxygenated products under oxidizing conditions, and the reduction of nitric oxide under oxidizing conditions. The objectives of his program are pursued through a combination of experimental and theoretical methods. Spectroscopic techniques, including IR, Raman, NMR, UV-Visible, and EXAFS, are used to characterize catalyst structure and adsorbed species under actual conditions of catalysis. Isotopic tracers and temperature-programmed desorption and reaction techniques are used to elucidate the pathways via which catalyzed reactions occur. Quantum chemical calculations are conducted to define the structure and energetics of adsorbed species and the pathways by which such species are transformed. The combined use of theory and experimental methods enables the attainment of a deeper understanding of the core issues of interest than can be achieved by the use of either approach alone.

近期论文

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"A Strategy for Obtaining a More Accurate Transition State Estimate Using the Growing String Method" (with A. Goodrow and M. Head-Gordon) Chemical Physics Letters, 484 (4-6) 392-398 (2010). "Weak Interligand Interactions with Major Structural Consequences in Rh(CO)(2)(CF3COO)(3)" (with A. Behn and M. Head-Gordon) Organometallics, 29 (5) 1144-1149 (2010). "One-pot synthesis of alcohols from olefins catalyzed by rhodium and ruthenium complexes " (with J. Zakzeski, H. R. Lee, and Y. L. Leung) Applied Catalysis A: General, 374 (1-2) 201-212 (2010). "An experimental and theoretical investigation of the structure and reactivity of bilayered VOx/TiOx/SiO2 catalysts for methanol oxidation" (with W. C. Vining, A. Goodrow, and J. Strunk) Journal of Catalysis, 270 (1) 163-171 (2010). "Effect of zeolite framework type and Si/Al ratio on dimethoxymethane carbonylation" (with F. E. Celik and T. J. Kim) Journal of Catalysis, 270 (1) 185-195 (2010). "Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5: A multiscale approach" (with N. Hansen, R. Krishnab, J.M. van Batenb, and F.J. Keila) Journal of Chemical Engineering Science, 65 (8) 2472-2480 (2010). "Viscosities of the Mixtures of 1-Ethyl-3-Methylimidazolium Chloride with Water, Acetonitrile and Glucose: A Molecular Dynamics Simulation and Experimental Study" (with T. Chen, M. Chidambaram, Z. Liu, and B. Smit) Journal of Physical Chemistry B, 114 (17) 5790-5794 (2010). "Ethane dehydrogenation on Pt/Mg(Al)O and PtSn/Mg(Al)O catalysts" (with V. Galvita, G. Siddiqi, and P.P. Sun) Journal of Catalysis, 271 (2) 209-219 (2010). "Theoretical Simulation of n-Alkane Cracking on Zeolites" (with J. A. Swisher, N. Hansen, T. Maesen, F.J. Keil, and B. Smit) Journal of Physical Chemistry C, 114 (22) 10229-10239 (2010). "Identification of Hydroperoxy Species as Reaction Intermediates in the Electrochemical Evolution of Oxygen on Gold" (with B.S. Yeo, S.L. Klaus, P.N. Ross, and R.A. Mathies) ChemPhysChem, 11 (9) 1854-1857 (2010). "A two-step approach for the catalytic conversion of glucose to 2,5-dimethylfuran in ionic liquids" (with M. Chidambaram) Green Chemistry, 12 (7) 1253-1262 (2010). "Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study" (with N. Hansen, T. Kerber, J. Sauer, and F.J. Keil) Journal of the American Chemical Society, 132 (33) 11525-11538 (2010). "An investigation into the mechanism and kinetics of dimethoxymethane carbonylation over FAU and MFI zeolites" (with F.E. Celik, T.J. Kim, and A.N. Mlinar) Journal of Catalysis, 274 (2) 150-162 (2010). "Synthesis and characterization of a new catalyst Pt/Mg(Ga)(Al)O for alkane dehydrogenation" (with P. Sun, G. Siddiqi, and M. Chi) Journal of Catalysis, 274 (2) 192-199 (2010). "Catalyst performance of novel Pt/Mg(Ga)(Al)O catalysts for alkane dehydrogenation" (with G. Siddiqi, P. Sun, and V. Galvita) Journal of Catalysis, 274 (2) 200-206 (2010). "A Study of Oxygen Vacancy Formation and Annihilation in Submonolayer Coverages of TiO2 Dispersed on MCM-48" (with J. Strunk and W.C. Vining) Journal of Physical Chemistry C , 114 (40) 16937-16945 (2010). "Theoretical Study of Zeolite-Catalyzed Dimethoxymethane Carbonylation to Methyl Methoxyacetate" (with V. Shapovalov) Journal of Physical Chemistry C , 114 (41) 17753-17760 (2010). "Effects of support composition and pretreatment on the activity and selectivity of carbon-supported PdCunClx catalysts for the synthesis of diethyl carbonate" (sith D. N. Briggs, G. Bong, E. Leong, K. Oei, and G. Lestari) Journal of Catalysis, 276 (2) 215-228 (2010).