Microkinetic model for the dry reforming of methane on Rh doped pyrochlore catalysts

Polo-Garzon, Felipe; Scott, Joseph K.; Bruce, David A.

doi:10.1016/j.jcat.2016.05.019

Title: Microkinetic model for the dry reforming of methane on Rh doped pyrochlore catalysts

Journal Article · Mon Aug 01 00:00:00 EDT 2016 · Journal of Catalysis

DOI:https://doi.org/10.1016/j.jcat.2016.05.019· OSTI ID:1324000

Polo-Garzon, Felipe; Scott, Joseph K.; Bruce, David A.

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

Grant/Contract Number:: SC0001058

OSTI ID:: 1324000

Journal Information:: Journal of Catalysis, Journal Name: Journal of Catalysis Vol. 340 Journal Issue: C; ISSN 0021-9517

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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References (28)

Surface Structure and Reactivity of Rhodium Oxide Scherson, Yaniv D.; Aboud, Shela J.; Wilcox, Jennifer The Journal of Physical Chemistry C, Vol. 115, Issue 22 https://doi.org/10.1021/jp110998e	journal	May 2011
Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition Li, Guanna; Pidko, Evgeny A.; Filot, Ivo A. W. Journal of Catalysis, Vol. 308 https://doi.org/10.1016/j.jcat.2013.08.010	journal	December 2013
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Balance in Adsorption Energy of Reactants Steers CO Oxidation Mechanism of Ag13 and Ag12Pd1 Nanoparticles: Association Mechanism versus Carbonate-Mediated Mechanism Kim, Hyun You; Han, Sang Soo; Ryu, Ji Hoon The Journal of Physical Chemistry C, Vol. 114, Issue 7 https://doi.org/10.1021/jp9111553	journal	February 2010
Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols Medford, Andrew J.; Lausche, Adam C.; Abild-Pedersen, Frank Topics in Catalysis, Vol. 57, Issue 1-4 https://doi.org/10.1007/s11244-013-0169-0	journal	October 2013
An integrated approach to Deacon chemistry on RuO2-based catalysts Teschner, Detre; Farra, Ramzi; Yao, Lide Journal of Catalysis, Vol. 285, Issue 1 https://doi.org/10.1016/j.jcat.2011.09.039	journal	January 2012
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Thermodynamic analysis of carbon dioxide reforming of methane and its practical relevance Jafarbegloo, Mohammad; Tarlani, Aliakbar; Mesbah, A. Wahid International Journal of Hydrogen Energy, Vol. 40, Issue 6 https://doi.org/10.1016/j.ijhydene.2014.12.103	journal	February 2015
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
CVODE, A Stiff/Nonstiff ODE Solver in C Cohen, Scott D.; Hindmarsh, Alan C.; Dubois, Paul F. Computers in Physics, Vol. 10, Issue 2 https://doi.org/10.1063/1.4822377	journal	January 1996
Removal of high concentration CO2 from natural gas at elevated pressure via absorption process in packed column Tan, L. S.; Lau, K. K.; Bustam, M. A. Journal of Natural Gas Chemistry, Vol. 21, Issue 1 https://doi.org/10.1016/S1003-9953(11)60325-3	journal	January 2012
Dry Reforming of Methane on Rh-Doped Pyrochlore Catalysts: A Steady-State Isotopic Transient Kinetic Study Polo-Garzon, Felipe; Pakhare, Devendra; Spivey, James J. ACS Catalysis, Vol. 6, Issue 6 https://doi.org/10.1021/acscatal.6b00666	journal	May 2016
Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory Wang, Ziyun; Cao, X. -M.; Zhu, Jinghao Journal of Catalysis, Vol. 311 https://doi.org/10.1016/j.jcat.2013.12.015	journal	March 2014
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Characterization and activity study of the Rh-substituted pyrochlores for CO2 (dry) reforming of CH4 Pakhare, Devendra; Wu, Hongyi; Narendra, Savinay Applied Petrochemical Research, Vol. 3, Issue 3-4 https://doi.org/10.1007/s13203-013-0042-x	journal	December 2013
Electronic factors in catalysis: the volcano curve and the effect of promotion in catalytic ammonia synthesis Dahl, Søren; Logadottir, Ashildur; Jacobsen, Claus J. H. Applied Catalysis A: General, Vol. 222, Issue 1-2 https://doi.org/10.1016/S0926-860X(01)00826-2	journal	December 2001
Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001) Medford, Andrew J.; Sehested, Jens; Rossmeisl, Jan Journal of Catalysis, Vol. 309 https://doi.org/10.1016/j.jcat.2013.10.015	journal	January 2014
Ab initio derived reaction mechanism for the dry reforming of methane on Rh doped pyrochlore catalysts Polo-Garzon, Felipe; He, Ming; Bruce, David A. Journal of Catalysis, Vol. 333 https://doi.org/10.1016/j.jcat.2015.10.017	journal	January 2016
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Automotive fuels from biomass via gasification Zhang, Wennan Fuel Processing Technology, Vol. 91, Issue 8 https://doi.org/10.1016/j.fuproc.2009.07.010	journal	August 2010
Kinetic and mechanistic study of dry (CO2) reforming of methane over Rh-substituted La2Zr2O7 pyrochlores Pakhare, Devendra; Schwartz, Viviane; Abdelsayed, Victor Journal of Catalysis, Vol. 316 https://doi.org/10.1016/j.jcat.2014.04.023	journal	July 2014
Methane Oxyforming for Synthesis Gas Production York, Andrew P. E.; Xiao, Tian‐cun; Green, Malcolm L. H. Catalysis Reviews, Vol. 49, Issue 4 https://doi.org/10.1080/01614940701583315	journal	October 2007
Design and Synthesis of Copper-Cobalt Catalysts for the Selective Conversion of Synthesis Gas to Ethanol and Higher Alcohols Prieto, Gonzalo; Beijer, Steven; Smith, Miranda L. Angewandte Chemie International Edition, Vol. 53, Issue 25 https://doi.org/10.1002/anie.201402680	journal	May 2014
Methanol-to-hydrocarbons conversion: The alkene methylation pathway Brogaard, Rasmus Y.; Henry, Reynald; Schuurman, Yves Journal of Catalysis, Vol. 314 https://doi.org/10.1016/j.jcat.2014.04.006	journal	May 2014
Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature Kandoi, S.; Gokhale, A. A.; Grabow, L. C. Catalysis Letters, Vol. 93, Issue 1/2 https://doi.org/10.1023/B:CATL.0000016955.66476.44	journal	March 2004
SUNDIALS: Suite of nonlinear and differential/algebraic equation solvers Hindmarsh, Alan C.; Brown, Peter N.; Grant, Keith E. ACM Transactions on Mathematical Software, Vol. 31, Issue 3 https://doi.org/10.1145/1089014.1089020	journal	September 2005

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