UNIFAC基团贡献法对合成硝基麝香固液平衡的研究

Prediction of solid-liquid equilibrium to synthetic nitro-musk by using UNIFAC group-contribution method

应用UNIFAC基团贡献法研究了合成硝基麝香物系在乙酸乙酯、乙腈、环己烷等溶剂中的溶解度。通过麝香物系在多种溶剂中的二元相平衡的实验数据对UNIFAC交互作用参数进行了回归修正,并利用这些交互作用参数预测了大量麝香的二元、三元的固液平衡,与实验值比较,证明参数修正的结果是理想的,误差在允许范围之内,能满足合成硝基麝香体系固液平衡计算的需要。

UNIFAC group-contribution method is a very important method used for calculation of the phase equilibrium. Based on UNIFAC model, the musk＇s solid-liquid equilibrium in many solvents is calculated. The experimental data fit UNIFAC model＇s parameters to endow UNIFAC model with better prediction for solid-liquid equilibrium. It is very approximate to the results of experiments when calculating the solid-liquid equilibrium of synthetic nitro-musk.