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在制膜液三元相图的计算研究中,非线性方程组解经常出现无意义解。为了避免该问题,本工作以Flory-Huggins理论为基础,推导出浊点线(binodal)方程和旋节线(spinodal)方程,先确定富相中聚合物体积分数为独立变量,然后应用更新雅可比矩阵及其逆的技巧,并应用本工作改进了的Marquardt算法,得出非线性方程组的有意义解。本工作还推导出成膜过程连续相组成迹线(pathline)方程。通过计算绘出了浊点线、旋节线和连续相组成迹线,并用于分析聚合物膜的成膜机理。
In the calculation of the ternary phase diagram of the solution, the non-linear system of equations often shows a meaningless solution. In order to avoid this problem, this work derives the binodal equation and spinodal equation based on the Flory-Huggins theory. Firstly, the volume fraction of polymer in the rich phase is determined as an independent variable. Then, Comparable matrices and their inverse techniques, and apply the improved Marquardt algorithm in this work to get a meaningful solution of nonlinear equations. The work also deduced the formation of the continuous phase film forming process (pathline) equation. The cloud point, spinodal and continuous phase traces were plotted by calculation and used to analyze the film formation mechanism of polymer films.