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缔合流体混合物的分子热力学模型
Molecular Thermodynamic Model for Associating Fluid Mixtures
【摘要】 从分子缔合的粘滞球模型出发,导出了同时含有自缔合和交叉缔合时亥氏函数的贡献,交叉缔合参数可由自缔合参数计算。常压和高压下二元缔合流体混合物汽液平衡的关联结果令人满意。
【Abstract】 The Helmholtz function of fluid mixtures containing both selfassociation and crossassociation between molecules include two terms,the contribution due to the physical interaction between molecules and that due to association between molecules.The former is calculated by the Helmholtz function model of squarewellchain fluid mixtures with one adjustable binary interaction parameter presented by authors in previous works.The latter is derived from the shieldsticky model of chemical association.The crossassociation parameters (association volume fraction and association energy) are calculated from the corresponding pure selfassociation parameters.Good agreements with experimental data have been obtained for calculation of binary vaporliquid equilibria of associated fluid mixtures containing water,alcohol’s,carboxylic acids and amines from normal pressure to high pressure.
【Key words】 association; molecular thermodynamic model; equation of state; vaporliquid equilibrium; Helmholtz function;
- 【文献出处】 华东理工大学学报 ,JOURNAL OF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY , 编辑部邮箱 ,1998年02期
- 【分类号】O642.42
- 【被引频次】6
- 【下载频次】166