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Analysis of transition state theory for condensation 被引量:1

Analysis of transition state theory for condensation
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摘要 By statistically analyzing the condensation process and reconsidering the transition state theory for condensation and evaporation, we first presented a completed theoretical formula of the condensation coefficient. Namely, the unknown parameters contained within the transition state theoretical calculation of the condensation coefficient are determined. The condensation coefficients calculated from this formula agree well with those from molecular dynamics simulations. With this formula, the classical expression of the condensation flux developed from the gas kinetic theory can be used to predict the condensation flux. By statistically analyzing the condensation process and reconsidering the transition state theory for condensation and evaporation, we first presented a completed theoretical formula of the condensation coefficient. Namely, the unknown parameters contained within the transition state theoretical calculation of the condensation coefficient are determined. The condensation coefficients calculated from this formula agree well with those from molecular dynamics simulations. With this formula, the classical expression of the condensation flux developed from the gas kinetic theory can be used to predict the condensation flux.
机构地区 Tsing Hua Univ
出处 《Chinese Science Bulletin》 SCIE EI CAS 2002年第11期952-954,共3页
基金 This work was supported by the National Natural Science Foundation of China (Grant No. 50106004) the Fundamental Research Foundation of the Mechanical Engineering School of Tsinghua University.
关键词 CONDENSATION TRANSITION STATE THEORY L-J fluid. condensation transition state theory L-J fluid
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  • 1Schrage,R. W.A Theoretical Study of Interphase Mass Transfer, New York: Columbia Univ[]..1953

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