本文研究了采用基团贡献法和分子动力学模拟计算和预测燃料物性的理论方法，对高密度燃料的物性进行了计算。
In this work, the theoretic methods including group contribution method and molecular dynamics simulation are used to estimate the properties of high-density fuels.
采用浊度滴定法测定和基团贡献法估算了酚酞基聚醚砜的溶解度参数。
The solubility parameter of phenolphthalein poly (ether sulfone) (PES-C) was determinated by using turbidity titration method, and estimated by using group contribution method.
针对体系的非理想过程，采用UNIFAC基团贡献法计算液液平衡常数，解决了实验数据不足造成的局限。
As to the non-linear process of the system, we calculate the constant of the Liquid-liquid equilibrium by making use of the UNIFAC Method to solve the problem of the lack of experimental data.
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