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log η=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.