Industry/University Cooperative Project: Thermodynamic Properties of Ionic Organic Molecules in Aqueous Solutions

产学合作项目：水溶液中离子有机分子的热力学性质

• 批准号: 8513434
• 负责人: Marc Donohue
• 金额: $ 12.7万
• 依托单位: Johns Hopkins University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1986
• 资助国家: 美国
• 起止时间: 1986-01-01 至 1989-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8513434&HistoricalAwards=false
• 关键词: Industry; University; Cooperative; Project; Thermodynamic

A theory for the thermodynamic properties (solubilities, vapor pressures, distribution coefficients) of ionic organic molecules is to be developed. Experiments are performed to test its accuracy and limitations. The theory is to be created from two existing, but unrelated theories, the Perturbed Anisotropic Chain Theory (PACT) and the Restricted Primative Model (RPM). The PACT treats molecular attractions (van der Waals forces, dipoles, quadrupoles, hydrogen bonding) as perturbations about the hard sphere potential. It includes the effects of rotational and vibrational degrees of freedom and hence can be used for small, medium, or large molecules, including polymers. The Restricted Primative Model allows the prediction of ion-ion interactions. By combining these two theories, it is possible to predict accurately the properties of ionic organic molecules (e.g., amino acids, alkanol amines) and ionic polymers (proteins). Two kinds of experiments are performed using electrolytic systems: vapor-liquid equilibria are measured for some systems and the other measures liquid-liquid distribution coefficients.

热力学性质的理论（溶解度，蒸汽 离子有机分子的压力、分配系数）是为了 发展。 实验验证了该方法的准确性， 局限性。 该理论是从两个现有的，但 扰动各向异性链理论（PACT） 限制性初始模型（RPM） PACT治疗分子 引力（货车范德华力，偶极，四极，氢 键合）作为关于硬球势的扰动。 它包括 旋转和振动自由度的影响， 可用于小、中或大分子，包括聚合物。 限制性初始模型允许预测离子-离子 交互.通过结合这两种理论， 准确预测离子有机分子的性质（例如， 氨基酸、烷醇胺）和离子聚合物（蛋白质）。 两种 的实验进行了使用电解系统：汽液 平衡是衡量一些系统和其他措施 液-液分配系数