本文提供了一种二元均相共沸混合物的预测方法.本方法通过UNIFAC基团贡献方法获得WS混合规则所需的二元相互作用系数,然后通过PR状态方程进行相平衡计算以求得平衡压力,再用牛顿迭代法求得使压力对浓度的一阶导数为零的根,从而获得共沸组分,并判断共沸混合物的类型.实例计算显示,预测结果与实验数据具有良好的一致性.
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