Work

Prediction of CO2 solubility in aqueous deep eutectic solvent using Aspen modelling approach

Year: 2025

Type: article

Abstract: Current work focuses on the modelling of experimentally measured carbon dioxide (CO 2 ) solubility data in aqueous deep eutectic solvent using (1EAHC:9DETA, 30%v) at various temperature and pressure conditions. The Peng-Robinson (PR) equation of state was used to characterize the vapor phase while UNIFAC group contribution model was used to model the non-ideality of the liquid phase. Aspen Plus was employed to model the phase equilibria of the measured experimental data. The predicted CO 2 solubility results were in good agreement with the measured values with R² of 0.9937. Key thermodynamic properties were calculated, including Henry’s constant, enthalpy and entropy of absorption along with excess Gibb’s free energy. The negative value of enthalpy of absorption (ΔH_abs = − 8.52 kJ/mol) indicated that the process was exothermic and there was strong interaction between the DES and CO 2 . Comparative analysis with aqueous 30% MEA revealed that the studied DES required lower regeneration energy, demonstrating its potential as an energy-efficient alternative for CO₂ capture applications. The successful implementation of the PR-UNIFAC model framework provides a robust tool for predicting CO₂ solubility in novel DES systems.

Source: Discover Chemical Engineering

DOI: 10.1007/s43938-025-00106-8

Authors: Khashayar Nasrifar, Ghulam Murshid, Shaima Al-Salmani, Lian See Tan

Institutions: Sultan Qaboos University, University of Technology Malaysia

Language: English

Topic: Carbon Dioxide Capture Technologies

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

SDGs: Climate action, Affordable and clean energy

Open Access status: gold

Estimated APC paid: $1,590