Experimental and Theoretical Studies of Polymer Solution Thermodynamics

本研究计划的长期目标是发展纯聚合物和聚合物溶剂溶液的平衡热力学行为的关联和预测方法。这包括压力和温度对密度、气液平衡和液平衡的影响，以及含有多种溶剂和/或聚合物的系统。为了实现这一目标，模型开发需要大量可靠的数据。正在建立数据库，其中载有各类系统的评价文献数据。为了追求可靠的群体贡献模型的发展，将收集更准确的数据。在以前的NSF设备拨款下建立的实验室用于此目的。基于聚合物-溶剂体系的晶格-流体模型，提出了一种新的基团贡献模型。该方案正在与丹麦技术大学的一项补充工作进行协调。

The long-range objective of this research program is to develop methods for the correlation and prediction of the equilibrium thermodynamic behavior of pure polymers and polymer-solvent solutions. This is to include effects of pressure and temperature on density, vapor-liquid and liquid equilibria, and systems containing multiple solvents and/or polymers. In order to achieve this goal, extensive and reliable data are needed for the model developments. Data bases are being assembled containing evaluated literature data for the various types of systems. In order to pursue the development of a dependable group contribution model, more accurate data will be collected. The laboratory established under a previous NSF equipment grant is used for this purpose. A new group contribution model is being developed based on a lattice-fluid model of the polymer-solvent systems. The program is being coordinated with a complementary effort at the Technical University of Denmark.