Continuation of Vapor-Liquid Equilibrium for Chemical Engineering and Applied Thermodynamics: A Research Project with International Collaboration and Industrial Cooperation

化学工程和应用热力学汽液平衡的延续：国际合作和工业合作的研究项目

• 批准号: 8914299
• 负责人: Stanley Sandler
• 金额: $ 15.56万
• 依托单位: University of Delaware
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-10-15 至 1992-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8914299&HistoricalAwards=false
• 关键词: Continuation; Vapor; Liquid; Equilibrium; Chemical

This project deals with a research program on separations processes, including experimental and theoretical work on low pressure vapor-liquid equilibrium. It is related to group contribution activity coefficient prediction methods, and high pressure phase equilibrium for the development of better equations of state and their mixing rules. The project covers the range of conditions in gas and oil processing, supercritical extraction, enhanced oil recovery by gas injection, and other elevated pressure processes. There are several unique features of the proposed work. First, the experimental work will be on systems specially chosen to critically test current equation of state and activity coefficient models, not merely to fill voids in data banks. Second, by the choice of systems and conditions, these data will also be of direct industrial interest for process design and development. Third, the project will explore the use of molecular mechanics and ab initio quantum mechanical calculations to identify nearest neighbor interference effects, in order to improve shortcomings of current group contribution methods. This work will represent the first use of quantum chemistry in molecular thermodynamics and has the potential for greatly improving process design predictions in the absence of experimental data. Finally, cooperative research with the Technical University of Berlin and Denmark, and the University of Paris will continue. In the past, this cooperation has resulted in visits and the exchange of students, faculty and equipment between the various laboratories.

这个项目涉及分离的研究计划 的实验和理论工作， 压力汽液平衡 这与群体有关。 贡献活度系数的预测方法， 压力相平衡的发展更好 状态方程及其混合规则。 项目占地 天然气和石油加工中的条件范围， 超临界萃取，气提，三次采油 注射和其它高压工艺。 拟议的工作有几个独特的特点。 首先，实验工作将专门针对系统 选择严格测试当前状态方程， 活度系数模型，而不仅仅是为了填补数据中的空白 银行的 第二，通过制度和条件的选择， 数据也将直接与工业利益的过程 设计和开发。 第三，该项目将探讨 分子力学和量子力学的应用 识别最近邻干扰的计算 效果，以改善目前集团的缺点 贡献方法。 这项工作将代表第一次使用 量子化学在分子热力学中的应用， 大大提高工艺设计预测的潜力， 缺乏实验数据。 最后，合作 与柏林和丹麦技术大学合作研究， 巴黎大学也会继续。 以前这 合作导致了访问和交流， 学生，教师和设备之间的各种 laboratories.