利用基团贡献法计算生物柴油体系临界性质参数

摘要

物性数据是进行化工研究、生产、设计和开发的基石，但因实验测量难度较大、实验成本较高以及新物质的数量快速增长等问题，目前物性数据不足仍是普遍存在的情况。本文利用Joback法和C-G法对生物柴油体系的临界参数和偏心因子进行了估算，估算结果表明：对于临界温度和临界压力的估算， Joback要比C-G估算的准确。 C-G法对大多数物质的偏心因子的估算是比较精确的，但是对于含有多个醇羟基的物质，偏离较大。%The properties data of substance was very important for chemical research and development , but had difficulty in the measurement by experimental method for all substances.The calculation of critical parameters and acentric factor were accomplished by using Joback method and C -G method, respectively.The results showed that for the critical temperature and critical pressure , the accuracy of Joback method was better than those of C -G method.On other hand , C-G method predicted the acentric factor accurately for common substances , but obvious deviation for multi hydroxyl.