基于凝胶的软物质的热质传递机理与性能调控

软物质指处于固体与理想流体之间的物质，其热质传递机理是对其性能进行调控的基础。本项目拟以膜式海水淡化过程中遇到的污染物凝胶这类典型的软物质为例，研究其自身及组成流道的传热传质规律。通过粗粒化分子动力学模拟，用基于全原子模拟的力拟合法构建粗粒化模型，确立其势函数形式和模型，从分子层次揭示软物质本身的传热传质机理，并用Flory-Huggins模型表达出扩散组分与软物质之间的相互作用力；通过微型应变仪等技术，揭示软物质的流变特性；通过超声时域反射法，实时监测、表征膜上软物质的变形规律；通过实验与多尺度数值模拟，阐明软物质及其与流体的耦合规律；在此基础上实现凝胶性能调控，解决膜性能衰减这一膜产业化的瓶颈问题。

Soft matter is a kind of material between solid and ideal fluid. Its heat and mass transfer mechanisms are the basics for performance manipulations. This project takes the gel pollutants encountered in membrane-based seawater desalination, a key representatives of soft matter, as the example for heat and mass transfer studies. The heat and mass transfer inside itself and through the ducts surrounded by the material, are studied. Through UTDR method, the deformation of the gel will be monitored in real-time. The coarse grain molecular model and the potential functions of the material will be set up. Through AAMD set up coarse grain MD simulations, the heat and mass diffusions inside the soft matter will be performed. Force-matching method will be used to set up the coarse-grain models. The interaction parameter between the solute and solvent will be obtained to set up the Flory-Huggins models for mass transfer. Through micro strain gauges, the reologies of the soft matter will be set up. Then through experiments and numerical work, the friction factor, heat and mass transfer characteristics through the soft matter ducts will be investigated. The coupling between the fluids and soft matter will be analyzed. Based on these endenvors including multi-scale modeling and experiments, system performance of soft matter will be performed. They will help to solve the key obstacle in membrane applications, by controlling pollutants on membranes. This project will also help to strengthen the crossling between subjects.