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- Title
Monte Carlo Simulation of Stiff Systems of Catalytic Reactions by Sampling Normally Distributed Rate Probabilities.
- Authors
Guerrero, S.; Wolf, E. E.
- Abstract
The article describes a study which demonstrated a method to construct probabilities from the reaction rates no matter the degree of stiffness of the problem. The study used a modified kinetic Monte Carlo (KMC) approach. The method described as log-KMC applies a logarithmic transformation of the rates to calculate the probabilities of all events. The Robertson's problem was solved to exemplify the method.
- Subjects
CHEMICAL reactions; STIFF computation (Differential equations); MONTE Carlo method; PROBABILITY theory; SAMPLING (Process)
- Publication
AIChE Journal, 2009, Vol 55, Issue 11, p3022
- ISSN
0001-1541
- Publication type
Article
- DOI
10.1002/aic.11941