Modelling acid gas mixtures of polar aprotic solvents and CO2 with the Cubic Plus Association equation of state

Author(s)

Follegatti-Romero, Luis A. ^[1] ; Nascimento, Claudio A. Oller ^[1] ; Liang, Xiaodong ^[2]

Affiliation

^[1] Univ Sao Paulo, Polytech Sch EP, Dept Chem Engn PQI, Lab Separat & Purificat Engn LaSPE, Sao Paulo, SP - Brazil

^[2] Tech Univ Denmark, Ctr Energy Resources Engn CERE, Dept Chem & Biochem Engn, DK-2800 Lyngby - Denmark

• Document type: Journal article
• Source: JOURNAL OF SUPERCRITICAL FLUIDS; v. 167, JAN 1 2021.
• Web of Science Citations: 1

Abstract

The Cubic Plus Association (CPA) equation of state and the Soave-Redlich-Kwong (SRK) equation of state coupled to Mathias-Copeman and volume correction parameters were used to correlate the vapor pressures and densities of pure polar aprotic solvents (PAS). It is shown that the CPA model (with 2B scheme) performed better than CPA (with inert scheme), SRK and its modifications in all cases for vapor pressure and densities. The performance of two mixing rules, namely the van der Waals one-fluid (vdW1f) and the Huron-Vidal (HV) mixing rules, is evaluated for these models on correlating the bubble-point pressures of CO2 + PAS mixtures. The CPA-HV model performs best at several temperatures, with the global average absolute deviations equal to 7.2 % for CPA-HV, 8.1 % for CPA-vdWlf and 8.7 % for SRK-HV. No improvements were found in the performance of the CPA-vdWlf when the solvation between CO2 and PAS was accounted for regression of bubble-point pressures. (C) 2020 Elsevier B.V. All rights reserved. (AU)

• FAPESP's process: 19/22085-4 - Liquid-liquid equilibrium for recovery of carboxylic acids from wastewater using green solvents
• Grantee: Luis Alberto Follegatti Romero
• Support Opportunities: Regular Research Grants
• FAPESP's process: 14/50279-4 - Brasil Research Centre for Gas Innovation
• Grantee: Julio Romano Meneghini
• Support Opportunities: Research Grants - Applied Research Centers Program