Implementation of electrolyte CPA EoS to model solubility of CO2 and CO2 + H2S mixtures in aqueous MDEA solutions

Alireza Afsharpour; Ali Haghtalab

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Implementation of electrolyte CPA EoS to model solubility of CO₂ and CO₂ + H₂S mixtures in aqueous MDEA solutions

Chemical Engineering Thermodynamics | Updated：2026-01-06

- Implementation of electrolyte CPA EoS to model solubility of CO₂ and CO₂ + H₂S mixtures in aqueous MDEA solutions
- Implementation of electrolyte CPA EoS to model solubility of CO₂ and CO₂ + H₂S mixtures in aqueous MDEA solutions
- 中国化学工程学报（英文版） 2019年27卷第8期页码：1912-1920
- Affiliations：
  
  1. Department of Chemical Engineering, Tarbiat Modares University, P. O. Box 14115-114, Tehran,Iran
  2. Faculty of Chemical and Materials Engineering, Shahrood University of Technology, Shahrood,Iran
- Author bio：
- Funds：
- DOI：
  中图分类号：
- 纸质出版：2019
- Accepted：
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Alireza Afsharpour, Ali Haghtalab. Implementation of electrolyte CPA EoS to model solubility of CO₂ and CO₂ + H₂S mixtures in aqueous MDEA solutions[J]. 中国化学工程学报（英文版）, 2019,27(8):1912-1920.

and CO
Alireza Afsharpour, Ali Haghtalab. Implementation of electrolyte CPA EoS to model solubility of CO₂ and CO₂ + H₂S mixtures in aqueous MDEA solutions[J]. 中国化学工程学报（英文版）, 2019,27(8):1912-1920. DOI：

and CO DOI：

摘要

Abstract

The electrolyte version of SRK plus association equation of state (eSRK-CPA EoS) was employed to correlate CO

solubility in MDEA aqueous solutions. The applied model comprises the classic form of CPA EoS including SRK EoS plus Wertheim association term in addition to MSA theory and Born terms so that the two last terms are responsible for the long-range interactions. A reaction-containing bubble pressure computation technique comprising two nested loops was utilized to model the systems. The internal loop

calculates the liquid phase concentrations

via

reaction

mass and charge balance equation solving

whereas

the vapor phase concentrations will be obtained in the external one. 470 experimental data were used to correlate binary subsystems and the H

O + MDEA + CO

ternary system. Since

there not exist any binary VLE data for MDEA + CO

subsystem

two fitting scenarios were applied. At the first scenario

the binary interaction parameter was assumed equal to zero

while

in second approach the parameter was obtained through ternary system correlation. Both scenarios show very good accurac

y in that the Absolute Average Deviation percentages (AAD) obtained were 19.12% and 18.85%

respectively. Also

to show the efficiency of the used model

a comparison between our results and those of the best-known models was made. Finally

having model parameters for H

S solubility from our previous work[A. Afsharpour

Petroleum Science and Technology 35 (3) (2017) 292-298

]

simultaneous solubility of CO

+ H

S mixtures in MDEA solutions was predicted using the eSRK-CPA EoS with no new optimizable parameters. As the results show

the applied model has a good performance for correlation and prediction of acid gas solubility in a wide range of pressures

temperatures

acid gas loadings

and MDEA concentrations.

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