The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state

Article type: Research Article

Authors: Yazdi, Arzhang^a | Najafloo, Azam^a | Sakhaeinia, Hossein^{a; *} | Saali, Amirhossein^b | Pirouzfar, Vahid^a

Affiliations: [a] Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran, Iran | [b] Department of Chemical and Biological Engineering, University of British Columbia, Vancouver, Canada

Correspondence: [*] Corresponding author: Hossein Sakhaeinia, Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran, Iran. h.sakhaeinia@iauctb.ac.ir.

Abstract: In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental data points with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide partial pressure (0.0001 KPa –5473 KPa), and carbon dioxide loading (0.04 –1.1). Ternary systems including water, carbon dioxide and diethanolamine have also been modeled by PC-SAFT and SAFT-HR equations of state based on bubble pressure algorithm. Binary interaction parameters are set to zero to show the genuine capability of equations of state in reproducing such experimental data. Provided modeling results have been obtained from MATLAB R2019b software for PC-SAFT equation of state are less deviated with experimental data. Overall average relative deviation of SAFT-HR and PC-SAFT are 45.452% and 4.374% respectively which show that PC-SAFT is a robust equation of state in predicting the solubility data of carbon dioxide in aqueous alkanolamine solutions.

Keywords: PC-SAFT EoS, SAFT-HR EoS, CO₂ solubility, DEA, Alkanolamine

DOI: 10.3233/MGC-220064

Journal: Main Group Chemistry, vol. 22, no. 2, pp. 281-297, 2023