Abstract
Kinetic Monte Carlo simulations were used to analyze the effect of barriers and the thermodynamics of the intermediates in the methanation reaction. Models on methanation representataive of different surfaces of transition metals as Ru or Co were presented. Trends in the methanation yield rate and the surface compositions as a function of temperatures and CO activation energies were put forward. Two different models that incorporate the C-C coupling in the formation of ethylene and ethane were also presented. The reaction rates were very sensitive to the activation energies of CO and rate of oxygen removal. This is an abstract of a paper presented at the 2011 AIChE Spring Meeting & 7th Global Congress on Process Safety (Chicago, IL 3/13-17/2011).
| Original language | English |
|---|---|
| Title of host publication | 11AIChE - 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, Conference Proceedings |
| Publisher | American Institute of Chemical Engineers (AIChE) |
| ISBN (Print) | 9780816910670 |
| Publication status | Published - 1 Jan 2011 |
| Event | 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, 11AIChE - Chicago, IL, United States Duration: 13 Mar 2011 → 17 Mar 2011 |
Conference
| Conference | 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, 11AIChE |
|---|---|
| Country | United States |
| City | Chicago, IL |
| Period | 13/03/11 → 17/03/11 |
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Kinetic Monte Carlo simulations of the Fischer-Tropsch reaction. / Ghouri, Mohammed Minhaj; Ciobócǎ, Ionel Mugurel; Jansen, A. P.J.; van Santen, Rutger.
11AIChE - 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, Conference Proceedings. American Institute of Chemical Engineers (AIChE), 2011.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review
TY - GEN
T1 - Kinetic Monte Carlo simulations of the Fischer-Tropsch reaction
AU - Ghouri, Mohammed Minhaj
AU - Ciobócǎ, Ionel Mugurel
AU - Jansen, A. P.J.
AU - van Santen, Rutger
PY - 2011/1/1
Y1 - 2011/1/1
N2 - Kinetic Monte Carlo simulations were used to analyze the effect of barriers and the thermodynamics of the intermediates in the methanation reaction. Models on methanation representataive of different surfaces of transition metals as Ru or Co were presented. Trends in the methanation yield rate and the surface compositions as a function of temperatures and CO activation energies were put forward. Two different models that incorporate the C-C coupling in the formation of ethylene and ethane were also presented. The reaction rates were very sensitive to the activation energies of CO and rate of oxygen removal. This is an abstract of a paper presented at the 2011 AIChE Spring Meeting & 7th Global Congress on Process Safety (Chicago, IL 3/13-17/2011).
AB - Kinetic Monte Carlo simulations were used to analyze the effect of barriers and the thermodynamics of the intermediates in the methanation reaction. Models on methanation representataive of different surfaces of transition metals as Ru or Co were presented. Trends in the methanation yield rate and the surface compositions as a function of temperatures and CO activation energies were put forward. Two different models that incorporate the C-C coupling in the formation of ethylene and ethane were also presented. The reaction rates were very sensitive to the activation energies of CO and rate of oxygen removal. This is an abstract of a paper presented at the 2011 AIChE Spring Meeting & 7th Global Congress on Process Safety (Chicago, IL 3/13-17/2011).
UR - http://www.scopus.com/inward/record.url?scp=84860738334&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:84860738334
SN - 9780816910670
BT - 11AIChE - 2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, Conference Proceedings
PB - American Institute of Chemical Engineers (AIChE)
ER -