Prediction of carbon-dioxide activity coefficient for solubility in ionic liquids using multi-non-linear regression analysis.

Autor: Rather SU; Department of Chemical and Materials Engineering, King Abdulaziz University, P.O. Box 80204, Jeddah 21589, Saudi Arabia., Shariff AM; Department of Chemical Engineering, Universiti Teknologi PETRONAS, Malaysia; CO(2) Research Centre (CO(2)RES), Institute of Contaminant Management (ICM), Universiti Teknologi PETRONAS, Malaysia., Sulaimon AA; Department of Petroleum Engineering, Universiti Teknologi PETRONAS, Malaysia; Centre of Research in Ionic Liquids (CORIL), Institute of Contaminant Management (ICM), Universiti Teknologi PETRONAS, Malaysia. Electronic address: aliyu.adebayor@utp.edu.my., Bamufleh HS; Department of Chemical and Materials Engineering, King Abdulaziz University, P.O. Box 80204, Jeddah 21589, Saudi Arabia., Qasim A; Centre of Research in Ionic Liquids (CORIL), Institute of Contaminant Management (ICM), Universiti Teknologi PETRONAS, Malaysia., Saad Khan M; CO(2) Research Centre (CO(2)RES), Institute of Contaminant Management (ICM), Universiti Teknologi PETRONAS, Malaysia., Alhumade H; Department of Chemical and Materials Engineering, King Abdulaziz University, P.O. Box 80204, Jeddah 21589, Saudi Arabia., Saeed U; Department of Chemical and Materials Engineering, King Abdulaziz University, P.O. Box 80204, Jeddah 21589, Saudi Arabia., M Alalayah W; Department of Chemical and Materials Engineering, King Abdulaziz University, P.O. Box 80204, Jeddah 21589, Saudi Arabia.
Jazyk: angličtina
Zdroj: Chemosphere [Chemosphere] 2023 Jan; Vol. 311 (Pt 2), pp. 137102. Date of Electronic Publication: 2022 Nov 02.
DOI: 10.1016/j.chemosphere.2022.137102
Abstrakt: Activity coefficient values offer insight into the intermolecular interactions between the solute and the solvent and the deviation from the ideal behavior. CO 2 capture from different industrial processes is a globally pertinent issue and the search for suitable chemicals is required. To address the issue, knowledge of activity coefficient values is crucial for CO 2 separation-based process. In this regard, a correlation is developed that predicts the coefficient of CO 2 activity in ionic liquids by multi-nonlinear regression analysis. The correlation is developed between the pressure range of 1-50 bar and the temperature range of 298.15-33.15 K for mole fractions of 0.3, 0.5, and 0.7. Outliers' analysis is performed using the boxplot method to determine the suitability of ranges of the selected input parameters. The preceding literature does not predict the activity coefficient in relatively lower to higher temperature and pressure ranges for CO 2 solubility in ionic liquids. Initially, the activity coefficient values from COSMO-RS were obtained and compared with the correlation results. The COSMO-RS and the correlation predicted results were subsequently validated with the experimental data. The average absolute error (AAE%) of the predicted correlation values is 19.53% while the root mean square error (RMSE) value is 0.465. The correlation can be used in the future to predict the CO 2 activity coefficient values in ionic liquids to facilitate qualitative analyses of their CO 2 capture efficiency.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2022 Elsevier Ltd. All rights reserved.)
Databáze: MEDLINE
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