Direct Monte Carlo simulation of chemica
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Shannon Dunn Piersall; James B. Anderson
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Article
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1992
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Elsevier Science
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English
β 398 KB
We report a direct Monte Carlo simulation of a Lindemann-Christiansen unimolecular reaction system. The simulation is carried out at the molecular level and includes energy transfer among reactants and products as well as the reaction steps. The usual differential equations of chemical kinetics are