A comparative and predictive study of the mixing rules for the vapor-liquid equilibria of CO2-based mixtures

doi:10.11949/0438-1157.20211690

Abstract

Abstract:

CO₂ mixed working fluid has the characteristics of high efficiency and environmental friendliness, and has received extensive attention in the new generation of heat-power conversion cycle. Vapor-liquid equilibria properties for mixtures is the foundation of cycle analysis and calculation, so in order to improve the calculation accuracy of the vapor-liquid equilibria model for CO₂-based mixtures, the vapor-liquid equilibria properties of seven CO₂+HFCs/HFOs and four CO₂+HCs mixtures are calculated by combining the PR equation of state with three mixing rules (vdW, WS, MHV1). The results show that the vdW mixing rule can achieve better results for CO₂+HCs mixtures. For the CO₂+HFCs/HFOs system, the calculation accuracy is similar in the subcritical region, but in the supercritical region, the WS mixing method improves the calculation accuracy obviously. MHV1 calculation accuracy is lower than WS and the calculation result of vdW is the most unsatisfactory. Finally, a differential model is proposed to predict the vapor-liquid equilibria properties of CO₂-based mixtures. The predicted AARD(p) value is 2.03%, and the AAD(y) value is 0.0120, with high prediction accuracy.

Key words: CO₂, mixtures, vapor-liquid equilibrium, PR equation of state, mixing rules, the difference model, prediction

摘要：

CO₂混合工质兼顾高效和环境友好的特点，在新一代热功转化循环中受到广泛关注。混合工质气液相平衡性质是循环分析与计算的基础。为了提高CO₂混合工质气液相平衡数据的计算精度，采用PR状态方程结合三种混合规则（vdW、MHV1、WS），对7种CO₂+HFCs/HFOs及4种CO₂+HCs混合工质的气液相平衡性质进行了计算。结果表明，对CO₂+HCs混合工质，vdW混合规则可达较好的结果；对CO₂+HFCs/HFOs混合工质，在亚临界区三者计算精度相近，但在超临界区，WS混合规则对计算精度提升明显。最后，提出了一种差值模型预测CO₂混合工质气液相平衡性质，预测的AARD(p)值为2.03%，AAD(y)值为0.0120，预测精度较高。

关键词: CO₂, 混合工质, 气液相平衡, PR状态方程, 混合规则, 差值模型, 预测

CLC Number:

TK 123

Zirui WU, Rui SUN, Lingfeng SHI, Hua TIAN, Xuan WANG, Gequn SHU. A comparative and predictive study of the mixing rules for the vapor-liquid equilibria of CO₂-based mixtures[J]. CIESC Journal, 2022, 73(4): 1483-1492.

吴子睿, 孙瑞, 石凌峰, 田华, 王轩, 舒歌群. CO₂混合工质的气液相平衡的混合规则对比与预测研究[J]. 化工学报, 2022, 73(4): 1483-1492.

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A comparative and predictive study of the mixing rules for the vapor-liquid equilibria of CO₂-based mixtures

CO₂混合工质的气液相平衡的混合规则对比与预测研究

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