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Application of a volume-translated Peng-Robinson equation of state on vapor-liquid equilibrium calculations

机译:体积转换的Peng-Robinson状态方程在气液平衡计算中的应用

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A volume-translated Peng-Robinson (VTPR) equation of state (EOS) is developed in this study. Besides the two parameters in the original Peng-Robinson equation of state, a volume correction term is employed in the VTPR EOS. In this equation, the temperature dependence of the EOS energy parameter was regressed by an improved expression which yields better correlation of pure-fluid vapor pressures. The volume correction parameter is also correlated as a function of the reduced temperature. The VTPR EOS includes two optimally fitted parameters for each pure fluid. These parameters are reported for over 100 nonpolar and polar components. The VTPR EOS shows satisfactory results in calculating the vapor pressures and both the saturated vapor and liquid molar volumes. In comparison with other commonly used cubic EOS, the VTPR EOS presents better results, especially for the saturated liquid molar volumes of polar systems. VLE calculations on fluid mixtures were also studied in this work. Traditional van der Waals one-fluid mixing rules and other mixing models using excess free energy equations were employed in the new EOS. The VTPR EOS is comparable to other EOS in VLE calculations with various mixing rules, but yields better predictions on the molar volumes of liquid mixtures. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 50]
机译:本研究开发了体积转换的Peng-Robinson(VTPR)状态方程(EOS)。除了原始的Peng-Robinson状态方程中的两个参数外,VTPR EOS中还使用了体积校正项。在该方程式中,EOS能量参数的温度依赖性通过改进的表达式回归,该表达式可产生更好的纯流体蒸汽压相关性。体积校正参数也与降低的温度相关。 VTPR EOS包括针对每种纯流体的两个最佳拟合参数。报告了超过100种非极性和极性组分的这些参数。 VTPR EOS在计算蒸气压以及饱和蒸气和液体摩尔体积方面均显示出令人满意的结果。与其他常用的立方EOS相比,VTPR EOS表现出更好的结果,尤其是对于极性系统的饱和液体摩尔体积而言。在这项工作中,还研究了流体混合物的VLE计算。在新的EOS中采用了传统的范德华斯单流体混合规则和其他使用过量自由能方程的混合模型。在各种混合规则下,VTPR EOS在VLE计算中可与其他EOS相提并论,但可以更好地预测液体混合物的摩尔体积。 (C)1998 Elsevier Science B.V.保留所有权利。 [参考:50]

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