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首页> 外文期刊>Physics and Chemistry of Liquids >Modelling interfacial properties of binary and ternary liquid mixtures of tetrahydrofuran, 2-propanol and 2,2,4-trimethylpentane
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Modelling interfacial properties of binary and ternary liquid mixtures of tetrahydrofuran, 2-propanol and 2,2,4-trimethylpentane

机译:二元呋喃,2-丙醇和2,2,4-三甲基戊烷的二元和三元液体混合物建模界面性能

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摘要

The present modelling study has been dedicated to determining the interfacial properties of binary and ternary liquid mixtures made up of tetrahydrofuran, 2-propanol and 2,2,4-trimethylpentane. The variation of the temperature is from 288 to 308 K. By using both UNIFAC activity model and the fugacity model based on the cubic plus association (CPA) equation of state (EOS), a model based on the equality of chemical potentials in the liquid and the surface layer is utilised to describe the liquid-vapour interface of these liquid mixtures. The surface tension, composition and density are simultaneously predicted. The results of this model show that experimental surface tension data are in a good agreement with the predicted ones. The model using CPA EOS and molar volume has a better performance than the one uses the UNIFAC activity model.
机译:本模拟研究致力于测定由四氢呋喃、2-丙醇和2,2,4-三甲基戊烷组成的二元和三元液体混合物的界面性质。温度的变化范围为288到308 K。通过使用UNIFAC活性模型和基于立方+缔合(CPA)状态方程(EOS)的逸度模型,基于液体和表层化学势相等的模型被用来描述这些液体混合物的液-汽界面。同时预测了表面张力、成分和密度。该模型的结果表明,实验表面张力数据与预测值吻合良好。使用CPA EOS和摩尔体积的模型比使用UNIFAC活性模型的模型具有更好的性能。

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