Molecular mechanism of adsorption/desorption hysteresis:dyna

发布时间：2023-04-01 03:11

　　Understanding the adsorption and desorption behavior of methane has received considerable attention since it is one of the crucial aspects of the exploitation of shale gas.Unexpectedly,obvious hysteresis is observed from the ideally reversible physical sorption of methane in some experiments.However,the underlying mechanism still remains an open problem.In this study,Monte Carlo(MC) and molecular dynamics(MD) simulations are carried out to explore the molecular mechanisms of adsorption/desorptio...

【文章页数】：8 页


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