摘要
利用分子模拟技术(GAUSS)和类导体屏蔽片段活度系数模型(COSMO-SAC)相结合的方法,研究了多不饱和脂肪酸酯体系纯组分的热力学性质和传递性质。通过数值计算方法,将物性数据进行回归,分别得到了饱和蒸气压Anton-Riedel拓展方程模型log P=A+B/(T)+C×T+D×ln(T)、液相黏度Andrade扩展方程模型logη=A+B/(T)+C×ln(T)和液相密度Rackett方程模型ln(1/ρ)=ln(B/A)+(1-T/C)D×ln(B)。
Thermodynamic and transfer properties of pure components in polyunsaturated fatty acid esters system are studied by using molecular simulation( GAUSS) and COSMO-SAC model.Through using numerical computation method,the physical property data are regressed. Anton-Riedel extended equation model log P = A +B/( T) +C ×T +D ×ln( T) for saturated vapor pressure,Andrade extended equation model log η = A+B/( T) +C×ln( T) for liquid viscosity and Rackett equation model log( 1/ρ) = ln( B/A) +( 1-t/C)D×ln( B) for liquid density are obtained,respectively.
作者
安登超
廉景燕
韩振为
AN Deng-chao;LIAN Jing-yan;HAN Zhen-wei(Pei Yang National Distillation Technology Corporation Limited,Tianjin 300072,China;National Engineering Research Center of Distillation Technology,School of Chemical Engineering and Technology,Tianjin University,Tianjin 300072,China;School of Chemistry and Chemical Engineering,Tianjin University of Technology,Tianjin 300072,China)
出处
《现代化工》
CAS
CSCD
北大核心
2021年第9期197-200,共4页
Modern Chemical Industry
基金
科技部重点研发项目(2018YFB0604901)。
关键词
多不饱和脂肪酸酯
热力学性质
传递学性质
模型回归
polyunsaturated fatty acid esters
thermodynamic property
transfer property
model regression
