醋酸-水二元体系常压汽液平衡数据的推算与关联

Predication of Atmospheric VLE Data for Acetic Acid-Water Binary System

利用醋酸水二元体系汽液平衡实验数据,以气相组成误差平方和和总压相对误差平方和作为目标函数,运用改进的GaussNewton法作为迭代方法,对求解偏导数矩阵进行了修正,分别运用Wilson方程、NRTL方程和UNIQUAC方程模拟计算醋酸水二元体系在常压下的汽液平衡,并进行了关联。计算结果与文献值的平均偏差分别为0.0251,0.0411和0.1156,收敛速度和计算精度均有所提高,表明采用此方法是可行的。

The atmospheric vapor-liquid equilibrium (VLE)of acetic acid-water binary system was calculated by using VLE experimental data of acetic acid-water binary system based on Wilson,NRTL and UNIQUAC equations. The solving partial derivative matrix was amended by using the relative error square sum of vapor phase composition and the total pressure relative error as the target function and improved Gauss-Newton as iterative method. The average errors compared with literature were 0.025 1, 0.041 1 and 0.115 6 respectively. It was showed that both convergent rate and precision were improved.