Kinetic Monte Carlo Molecular Simulation of Chemical Reaction Equilibria
Author:
Affiliation:
1. Department of Mathematics and Statistics; University of Guelph; Guelph ON Canada
2. Department of Chemistry; University of Guelph; Guelph ON Canada
3. Department of Chemical Engineering; University of Waterloo; Waterloo ON Canada
Publisher
John Wiley & Sons, Inc.
Reference10 articles.
1. Chemical Potential, helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation;Fan;Molecular Physics,2014
2. Application of the kinetic Monte Carlo method to the vapour-liquid equilibria of associating fluids and their mixtures;Nguyen;Molecular Simulation,2015
3. Monte Carlo simulation of equilibrium chemical composition of molecular fluid mixtures in the N atoms PT ensemble;Shaw;Journal of Chemical Physics,1991
4. A new kinetic Monte Carlo scheme with Gibbs Ensemble to determine vapour-liquid equilibria;Tan;Molecular Simulation,2017
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