Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†

DOI10.1080/08927020801986564zbMath1143.80010OpenAlexW2159108423MaRDI QIDQ3509739

C. Heath Turner, Keith E. Gubbins, Martin Lísal, John K. Brennan, J. Karl Johnson, William Robert Smith

Publication date: 2 July 2008

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927020801986564

zbMATH Keywords

simulationMonte Carloreactionequilibria

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Chemical kinetics in thermodynamics and heat transfer (80A30)

Cites Work

• Multi-scale Molecular Modeling of Chemical Reactivity
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