Selection of cubic equations of state for separation of CO2-C2H6 azeotrope

Haiqin WANG; Minglong FAN; Zubin ZHANG

doi:10.11949/0438-1157.20181314

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Selection of cubic equations of state for separation of CO₂-C₂H₆ azeotrope

更新时间：2026-03-25

- Selection of cubic equations of state for separation of CO₂-C₂H₆ azeotrope
- CIESC Journal Vol. 70, Issue 9, Pages: 3228-3237(2019)
- 作者机构：
  
  1. 山东省油气储运安全省级重点实验室
  2. 中国石油大学（华东）储运与建筑工程学院,山东,青岛,266580
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20181314
  CLC： TE645
- Online First：05 September 2019，
  
  Published：05 September 2019
- 稿件说明：
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Haiqin WANG, Minglong FAN, Zubin ZHANG. Selection of cubic equations of state for separation of CO₂-C₂H₆ azeotrope[J]. CIESC Journal, 2019, 70(9): 3228-3237. DOI: 10.11949/0438-1157.20181314.
DOI：

Haiqin WANG, Minglong FAN, Zubin ZHANG. Selection of cubic equations of state for separation of CO₂-C₂H₆ azeotrope[J]. CIESC Journal, 2019, 70(9): 3228-3237. DOI: 10.11949/0438-1157.20181314. DOI：

摘要

汽液平衡热力学模型的准确选取对CO2-C2H6共沸物分离流程的设计和操作分析至关重要。在汽液平衡实验数据的基础上，依据逸度平衡原则，评估vdW、RK、SRK和PR立方型状态方程结合vdW、Margles和CVD混合规则预测CO2纯物质、CO2-C2H6共沸物和n-C5H12-CO2-C2H6三元体系汽液平衡的可靠性，采用平均绝对误差的方法进行状态方程的选取。结果表明：SRK状态方程计算CO2纯物质汽液平衡性质的精度最高；PR状态方程结合Margles混合规则可以准确计算CO2-C2H6共沸体系汽液平衡特性；对于n-C5H12-CO2-C2H6三元体系，SRK状态方程结合Margles混合规则计算精度明显优于vdW、RK和PR状态方程。通过试差迭代法优化CO2-C2H6共沸体系和n-C5H12-CO2-C2H6三元体系的二元交互作用参数，状态方程的计算精度得到明显提高。

Abstract

Accurate selection of vapor-liquid equilibrium thermodynamic model is essential to the design and operation of CO2-C2H6 azeotrope separation process. On the basis of collected experimental data

the reliabilities of four types of cubic equations of state including vdW

SRK and PR combined with vdW

Margles and CVD mixing rules for predicting vapor-liquid equilibrium properties of CO2 pure substance

CO2-C2H6 azeotrope and n-C5H12-CO2-C2H6 ternary system are evaluated according to the principle of vapor-liquid fugacity equilibrium. In addition

average absolute deviation is adopted to select cubic state equations. The results show that the SRK equation of state calculates the vapor-liquid equilibrium property of CO2 pure material with the highest precision. The PR equation of state combined with Margles mixing rule can accurately calculate the vapor-liquid equilibrium characteristics of CO2-C2H6 azeotrope system. However

for n-C5H12-CO2-C2H6 ternary system

the calculating accuracy of SRK combined with Margles mixing rule is obviously better than that of vdW

RK and PR. Furthermore

binary interaction parameters have obvious effects on the calculating accuracy of cubic equations of state for the mixture system. In order to improve the calculation accuracy

the binary interaction parameter is calibrated for all of the studied EOSs regarding CO2-C2H6 azeotropic system and n-C5H12-CO2-C2H6 ternary system.

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