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Phenomenological models of diffusivities based on local composition

Phenomenological models of diffusivities based on local composition
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摘要 In phenomenological models,diffusivity is at least a function of composition and the diffusivities at infinite dilution.An additional parameter(?),which can be determined by diffusivity in midpoint,are specially brought forward as token of fractional friction related with the interactions of same molecules in this paper,to extrapolate a new correlative equation for the mutual Maxwell-Stefan diffusivities.Furthermore,the correlative equation can be extended to calculate diffusivities in multicomponent mixtures based on binary data alone.The theoretical calculations are evaluated with published experimental data.The M-S diffusivities in a three-component liquid system are regarded as binary coefficients,the predictive results also agree with the experimental data.Results indicate that the model with additional coefficients is superior to currently used Darken methods,especially for systems of polar organic-water and those containing associative component. In phenomenological models,diffusivity is at least a function of composition and the diffusivities at infinite dilution.An additional parameter(?),which can be determined by diffusivity in midpoint,are specially brought forward as token of fractional friction related with the interactions of same molecules in this paper,to extrapolate a new correlative equation for the mutual Maxwell-Stefan diffusivities.Furthermore,the correlative equation can be extended to calculate diffusivities in multicomponent mixtures based on binary data alone.The theoretical calculations are evaluated with published experimental data.The M-S diffusivities in a three-component liquid system are regarded as binary coefficients,the predictive results also agree with the experimental data.Results indicate that the model with additional coefficients is superior to currently used Darken methods,especially for systems of polar organic-water and those containing associative component.
出处 《化工进展》 EI CAS CSCD 北大核心 2011年第S2期30-35,共6页 Chemical Industry and Engineering Progress
关键词 DIFFUSIVITY DIFFUSION PHENOMENOLOGICAL MODELS Maxwell-Stefan’s LAW diffusivity diffusion phenomenological models Maxwell-Stefan’s law
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参考文献22

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