Statistical Mechanics of Associating Solutions

关联解的统计机制

• 批准号: 9108595
• 负责人: G. Ali Mansoori
• 金额: $ 13.04万
• 依托单位: University of Illinois at Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-11-01 至 1996-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9108595&HistoricalAwards=false
• 关键词: Statistical; Mechanics; Associating; Solutions

The behavior of aqueous and other associating solutions is to be modeled with a technique based on exact relations among the direct correlation function integrals of mixtures. For example, for a binary mixture only one of the three direct correlation function integrals is independent. Closure expressions will be derived for the cross direct correlation function integrals for these associating solutions. With these closure expressions, analytic expressions for activity coefficients and equations of state which are applicable for both vapor-liquid and liquid-liquid equilibria, at infinite dilution and finite concentration, will be derived. The formulation does not require a knowledge of the intermolecular potential, but it does require some experimental data with which to determine binary parameters.

水溶液和其他缔合溶液的行为将被 用一种基于直接关系的技术建模， 混合物的相关函数积分 例如对于 二进制混合三个直接相关函数之一 积分是独立的 闭包表达式将为 这些的互相关函数积分 关联解决方案。 有了这些闭包表达式， 活度系数和状态方程的表达式， 适用于汽-液平衡和液-液平衡， 在无限稀释和有限浓度下，将导出。 该制剂不需要分子间的知识， 潜力，但它确实需要一些实验数据， 以确定二进制参数。