Industry/University Cooperative Research Project: Statistical Mechanics of Multicomponent Complex Solutions

研究概要：本研究项目的目标是利用 发展分析相的统计力学现代方法 多元络合物平衡计算技术 具有实际意义的解决方案。 PI最近开发了 热力学性质计算的基本原理 复杂的解决方案，包括极性，缔合，和大 分子大小不同的物种。 这个项目的主旨是 对以前的调查结果和详细研究的重要阐述 溶质/溶剂相互作用的连续混合物模型 沥青质/原油体系，研究沥青质和蜡的现象 由于存在可混溶的溶剂而导致沉积。 本课题的研究计划为：（1）应用与 复解混合规则的检验;（2） 形成新的多组分计算方案， 非类三体效应被合并和分相 三元及其它多元平衡计算 实际利益的混合物，以验证 （3）理论的结合 单体/聚合物溶液的混合物中，其中一个（或一个 （4）由聚合物组成的组分的详细描述 统计热力学建模和一些基本的 的相行为和其他性质的测量， 沥青质-油-溶剂体系

Research Summary: The goal of this research project is to utilize modern approaches of statistical mechanics to develop analytic phase equilibrium calculational techniques for multicomponent complex solutions of practical interest. The PI has recently developed the fundamental basics for calculation of thermodynamic properties of complex solutions consisting of polar, associating, and large molecular size different species. The thrust of this project is significant elaboration on the previous findings and detailed studies on continuous mixture models for solute/solvent interactions in asphaltene/oil systems to study the phenomena of asphaltene and wax deposition due to the presence of miscible solvents. The plan for the proposed research is: (1) Application and tests of new sets of mixing rules for complex solutions; (2) Formation of new multicomponent computational schemes in which the unlike-three-body effects are incorporated and phase equilibrium calculations on ternary and other multicomponent mixtures of practical interest in order to verify the formulations; (3) Incorporation of the theory of monomer/polymer solutions in the mixtures in which one (or a family) of the components consist of polymers; and (4) Detailed statistical thermodynamic modeling and a number of basic measurements of the phase behavior and other properties of asphaltene-oil-solvent systems.