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).
|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)|
|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||2011 AIChE Spring Meeting and 7th Global Congress on Process Safety, 11AIChE|
|Period||13/03/11 → 17/03/11|