摘要
以Peng-Robinson方程为基础,考察了不同混合规则对超临界流体——低挥发性液体体系相平衡计算的适用性。发现在常规混合规则中引入对分子体积参数的校正,比Panagiotopoulos的局部组成混合规则效果更好。
The Peng-Robinson equation of state with different mixing rules are used for the correlation of the phase equilibrium data of supercritical fluid——low-volatile liquid systems. To obtain reasonable conelation results, correction to the EOS's covolume parameter is necessary. Correlation results show that the conventional mixing rule with two adjustable interaction parameters (one for the cohesion parameter and the other for the covolurne parameter) gives satisfactory results for those polar as well as non-polar asymmetric systems. Also, it is found that this mixing rule is superior to the Panagiotopoulos-Reid mixing rule.
关键词
超临界流体
相平衡
挥发性
mixing rule
phase equilibrium calculation
supercritical fluid
low volatility
volatile liquid
