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化工学报  2015 

汽液相平衡计算混合法则中协体积项b的改进

DOI: 10.11949/j.issn.0438-1157.20140972, PP. 489-496

Keywords: 混合法则,汽液平衡,协体积,交互作用参数,状态方程,模型

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Abstract:

混合物汽液相平衡通常需要引入合适的混合法则才能更好地进行关联。针对目前混合法则中协体积项b的改进提出了一种新的修正协体积项b的方法。该方法以Mie势能理论、London色散力理论为基础,同时引入Leach等分子形状系数进行修正,这样协体积项b中的交互作用参数lij形式上是纯组分分子形状系数θ和φ及临界参数的函数,无需实验数据拟合得到,从而真实反映了二元混合物的实际混合情况。将修正的协体积项b运用于MHV1、LCVM及HV混合法则并结合PRNRTL模型对不同种类的16个体系汽液相平衡进行了计算,并与采用b∑xibi的MHV1、LCVM及HV混合法则结合PRNRTL模型计算的结果进行比较,结果表明运用修正的协体积项b的混合法则+PR+NRTL模型所得的计算结果精度优于采用b∑xibi的MHV1、LCVM及HV混合法则PRNRTL模型的计算结果。

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