表面活性剂的界面传递行为研究

项目名称： 表面活性剂的界面传递行为研究

项目编号： No.21476072

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 尚亚卓

作者单位： 华东理工大学

项目金额： 82万元

中文摘要： 界面特征是复杂系统的重要属性，物质通过界面实现相际传递是化工单元操作中的主要物理现象，提高传递速率、强化传质过程一直为人们所关注。界面层中分子的聚集行为直接决定着相际传递阻力的大小。本项目采用实验研究和计算机分子模拟相结合的方法，在分子和表界面尺度上研究不同条件下各种表面活性剂分子在表界面上的聚集行为和传递行为，探讨引发表界面性质改变的主要因素、影响规律，揭示表界面层分子聚集行为的机制；探讨表界面区域分子聚集形态、分子间相互作用、分子的取向、构型转化以及表界面膜内和附近的微观弛豫过程等对表界面传递性质的影响，获得影响界面传递性质的主导因素及影响规律，阐明相际传质阻力产生的微观分子机理，为多相传递和反应过程强化技术的开发提供基础数据和理论指导。

中文关键词： 界面结构；界面传递；界面扩张粘弹性；分子模拟；表面活性剂

英文摘要： Interface characteristics are the important properties of complex systems, correspondingly, interphase mass transfer becomes the main physical phenomenon of unit operation of chemical engineering. Improving the transmission rate and intensify the mass transfer process is always a focus of people's concerning. The resistance of interphase transfer is determined by the molecular aggregation behavior and the molecular motion state in the surfaces/interfaces, directly. By combining the experimental and simulation investigations, we would explore the aggregation behavior and transfer behavior of different surfactants at the surfaces/interfaces in molecular scale, and further study the main factors causing the changes of surface/interface properties, the influence rule. We aim at exploring the mechanism of molecular aggregation behavior in the surfaces/interfaces, and the effects of molecular interactions, configuration as well as the microscopic relaxation process within the surface/interface film and its vicinity on the surface/interface structure, and further study the effects of the formed surface/interface structure on the transfer behavior between different phases and illustrate the mechanism of producing the resistance of interphase transfer in molecular scale. The success of this project will provide fundamental data and theoretical guidance for development of multiphase transfer and reaction process intensification techniques.

英文关键词： interface structure;interface transfer;interfacial dilational viscoelasticity;molecular simulation;surfactant