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以生产HDPE过程中丙烷溶剂处于超临界状态下乙烯淤浆聚合过程为研究对象,应用POLYMER PLUS为计算平台,建立含聚乙烯的复杂体系的热力学物性参数的计算方法。通过研究,可见PC-SAFT方程可以准确地计算所研究聚合物系统各组分的热力学物性;处于超临界状态的丙烷的热力学参数可以通过饱和蒸汽压、液相密度以及超临界密度数据拟合得到,且计算丙烷的饱和液相密度和超临界密度的偏差在1.9%以内;聚乙烯的热力学方程参数以及聚乙烯与丙烷的交互参数可以通过聚合物和丙烷在液态和超临界状态时的液相密度拟合得到,计算的聚乙烯和丙烷的混合密度偏差在0.78%以内;应用PC-SAFT方程计算操作条件范围内的聚乙烯热能和聚合热的偏差也在3%以内。
In the process of producing HDPE, the polymerization process of ethylene slurry under the condition of supercritical propane solvent is taken as the research object. The calculation method of the thermodynamic parameters of the complex system containing polyethylene is established by using POLYMER PLUS as the calculation platform. Through the study, it can be seen that the PC-SAFT equation can accurately calculate the thermodynamic properties of each component of the polymer system under study. The thermodynamic parameters of propane in the supercritical state can be obtained through the data of saturated vapor pressure, liquid phase density and supercritical density , And the deviation of saturation liquid density and supercritical density of propane was calculated to be less than 1.9%. The parameters of the thermodynamics of polyethylene and the interaction parameters between polyethylene and propane can be obtained by the liquid phase and supercritical liquid phase of propane Density, the calculated density deviation of mixed polyethylene and propane is less than 0.78%. The deviation of thermal energy and heat of polymerization of polyethylene calculated by PC-SAFT equation is also within 3%.