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PC-SAFT(Perturbed-Chain Statistical Associating Fluid Theory)状态方程可以准确计算聚合物的物性,但是基于序贯算法的PC-SAFT状态方程模型收敛性较差。本文在MATLAB软件环境下编制了PC-SAFT状态方程模型的计算程序并用联立法求解,将乙烯、氢气、乙烯-氢气双组分、含聚合物的多组分等体系的物性与Aspen Plus软件模拟所得的数据进行比较,结果十分吻合。同时在MATLAB软件环境下编制了序贯法求解的PC-SAFT状态方程计算程序,在收敛步数方面与联立法程序进行了比较,联立方程法显示了明显的优势。
The PC-SAFT equation of state can accurately calculate the physical properties of polymer, but the PC-SAFT equation of state equation model based on sequential algorithm has poor convergence. In this paper, the calculation program of PC-SAFT equation of state equation is compiled under the MATLAB software environment and solved by the simultaneous method. The physical properties of ethylene, hydrogen, ethylene-hydrogen two component, polymer- The data obtained for comparison, the results are very consistent. At the same time, the program of PC-SAFT equation of state solved by sequential method was compiled in the MATLAB software environment. Compared with the simultaneous procedure in terms of the number of convergence steps, the simultaneous equation method shows obvious advantages.