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ISM equation of state and PVTx profile of polymer solutions

机译:ism状态和聚合物溶液的PVTX轮廓方程

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An analytical equation of state (EoS) has been previously employed to predict the volumetric profile of several molten polymers. The appearing temperature-dependent parameters in the EoS were determined using corresponding states correlations based on the molecular scaling constants, dispersive energy parameters between segments/monomers (epsilon) and segment diameter (sigma). In this study, that EoS was extended to several copolymer melts for predicting their specific volumes and some mechanical coefficients. The ability of the EoS has been evaluated by comparing the results with 738 literature data points for the specific volumes of four copolymer melts over the temperature range from 422.35 to 506 K and pressures up to 200 MPa. The average absolute deviation (AAD) of the calculated specific volumes from literature data was found to be 1.12%. The EoS was also extended to predict PVTx behaviour of seven polymer solutions involving molecular solvents such as water, anisole, 1-octanol and propane by the use of some operating interaction parameter between polymer-solvent molecules. Our calculations on the PVTx profile of studied solutions predicted 1212 experimental data points over the pressure range within 0.1-50 MPa with the AAD equal to 0.96%.
机译:分析状态方程(EoS)曾被用于预测几种熔融聚合物的体积分布。根据分子标度常数、链段/单体之间的色散能参数(ε)和链段直径(σ),使用相应的状态关联确定状态方程中出现的温度相关参数。在这项研究中,EoS被扩展到几种共聚物熔体,以预测它们的比体积和一些力学系数。在422.35到506K的温度范围内,压力高达200MPa,通过将四种共聚物熔体的比体积的结果与738个文献数据点进行比较,对EoS的能力进行了评估。根据文献数据计算的比体积的平均绝对偏差(AAD)为1.12%。通过使用聚合物-溶剂分子之间的一些操作相互作用参数,EoS还被扩展到预测七种聚合物溶液的PVTx行为,这些聚合物溶液涉及水、苯甲醚、1-辛醇和丙烷等分子溶剂。我们对研究溶液的PVTx曲线的计算预测了1212个实验数据点,压力范围在0.1-50 MPa之间,AAD等于0.96%。

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