Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Vassili Vorotnikov"'
Autor:
Evan C. Wegener, Todd R. Eaton, Vassili Vorotnikov, Amy E. Settle, Gregg T. Beckham, Derek R. Vardon, Kellene A. Orton, Jeffrey T. Miller, Ce Yang
Publikováno v:
ACS Catalysis. 9:11350-11359
Inverse bimetallic catalysts (IBCs), synthesized by sequential deposition of noble and oxophilic metals, offer potential reactivity enhancements to various reactions, including the reduction of car...
Autor:
Derek R. Vardon, Xiangchen Huo, Davis R. Conklin, Vassili Vorotnikov, Ryan M. Richards, Raiven I. Balderas, Katharine Page, Kinga A. Unocic, Rajeev S. Assary, Mingxia Zhou, Zhenglong Li, Stephen C. Purdy
Publikováno v:
Applied Catalysis B: Environmental. 294:120234
Nanomaterials derived from earth-abundant metal oxides have gained tremendous interest as catalysts; although, water stability remains a challenge. This study examines MgO(111) surfaces for 2-pentanone condensation and their evolution during D2O hydr
Autor:
Nicholas S. Cleveland, Kathleen Moyer, Derek R. Vardon, Amy E. Settle, Vassili Vorotnikov, Kevin N. Wood, Gregg T. Beckham, Todd R. Eaton, Martin J. Menart, Kinga A. Unocic, K. Xerxes Steirer, William E. Michener
Publikováno v:
ACS Catalysis. 7:6207-6219
Succinic acid is a biomass-derived platform chemical that can be catalytically converted in the aqueous phase to 1,4-butanediol (BDO), a prevalent building block used in the polymer and chemical industries. Despite significant interest, limited work
Autor:
Vassili Vorotnikov, David J. Robichaud, Glen Allen Ferguson, Gregg T. Beckham, Kenny Gruchalla, Nicholas D. Wunder, Jared M. Clark, Timothy V. Bartholomew
Publikováno v:
The Journal of Physical Chemistry C. 120:26249-26258
Supported metal catalysts are commonly used for the hydrogenation and deoxygenation of biomass-derived aromatic compounds in catalytic fast pyrolysis. To date, the substrate–adsorbate interactions under reaction conditions crucial to these processe
Publikováno v:
The Journal of Physical Chemistry C. 119:10417-10426
We assess the applicability of DFT-parametrized group additivity (GA) and extended linear scaling relations (ELSRs) to the adsorption properties of biomass furanic derivatives on close-packed metal surfaces. We find that previous schemes are inadequa
Publikováno v:
ACS Catalysis. 5:104-112
Adsorption, hydrogenation, and decarbonylation of furfural on hydrogen-covered Pd(111) was investigated using density functional theory calculations. It was found that both the energy and the conformation of adsorbed furfural vary with increasing cov
Autor:
Ryan T. Gill, Eric C. D. Tan, Todd R. Eaton, Gregg T. Beckham, Watson Michael John, Robin M. Cywar, Violeta Sànchez i Nogué, Derek R. Vardon, Vassili Vorotnikov, Adam D. Bratis, O. Stanley Fruchey, Michelle Gilhespy, Mary J. Biddy, Zinovia Skoufa, Lorenz P. Manker, Rongming Liu, Eric M. Karp, William E. Michener, David G. Brandner
Publikováno v:
Science (New York, N.Y.). 358(6368)
A sweet source to make acrylonitrile Much of the attention directed toward displacing petroleum feedstocks with biomass has focused on fuels. However, there are also numerous opportunities in commodity chemical production. One such candidate is acryl
Publikováno v:
Industrial & Engineering Chemistry Research. 53:11929-11938
We analyze the adsorption of 101 furan chemistry-related adsorbates, including intermediates with varying levels of hydrogenation of the furan ring as well as ring-open compounds, on Pd(111). The standard heat of formation (Hf,298), standard absolute
Publikováno v:
ACS Catalysis. 4:604-612
Bronsted–Evans–Polanyi (BEP) and transition state scaling (TSS) linear free energy relations are extended to C–H, O–H, C–O and C–C bond breaking reactions occurring on the ring and the functional groups of furan (hydrofuran, dihydrofuran,
Publikováno v:
Green Chem.. 16:736-747
The reaction energies and the corresponding energy barriers of hydrogenation and ring opening of furan on Pd(111) for the formation of tetrahydrofuran (THF), 1-butanol and small hydrocarbons were studied using density functional theory (DFT). THF for