Prediction of thermo-physical properties of 1-Butyl-3-methylimidazolium hexafluorophosphate for CO2 capture using machine learning models

Mazari, Shaukat Ali and Siyal, Ahsan Raza and Solangi, Nadeem Hussain and Ahmed, Saleem and Griffin, Gregory and Abro, Rashid and Mubarak, Nabisab Mujawar and Ahmed, Mushtaq and Sabzoi, Nizamuddin (2021) Prediction of thermo-physical properties of 1-Butyl-3-methylimidazolium hexafluorophosphate for CO2 capture using machine learning models. Journal of Molecular Liquids, 327. ISSN 0167-7322, DOI https://doi.org/10.1016/j.molliq.2020.114785.

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Abstract

Physical and thermodynamic properties of physical or chemical solvents are of utmost importance for mass and heat transfer calculations, process design and solvent regeneration. In recent times, machine learning has attracted interest for applications in several fields of engineering sciences. The ionic liquid 1-Butyl-3-methylimidazolium hexafluorophosphate Bmim]PF6] is an emerging solvent for CO2 capture. In this study, three Gaussian process regression (GPR) models - the Matern 5/2 GPR model, rational quadratic GPR model, squared exponential GPR model - and one support vector machine (SVM) model (the nonlinear SVM)- are developed for predicting CO2 solubility, density, viscosity andmolar heat capacity of Bmim]PF6]. Detailed statistics of each model and comparative analyses between the models and their predicted results with experimental results is highlighted. (C) 2020 Elsevier B.V. All rights reserved.

Item Type: Article
Funders: Office of Research, Innovation and Commercialization (ORIC), Dawood University of Engineering and Technology[03/DRFP/ORIC/DUET/2018]
Uncontrolled Keywords: CO2 capture;Bmim]PF6];Physical properties;Machine learning; Gaussian process regression;Support vector machine
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
T Technology > TK Electrical engineering. Electronics Nuclear engineering
Depositing User: Ms Zaharah Ramly
Date Deposited: 09 Sep 2022 01:44
Last Modified: 09 Sep 2022 01:44
URI: http://eprints.um.edu.my/id/eprint/34229

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