Computational Simulation of CO 2 Sorption in Polymeric Membranes Using Genetic Programming
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RESEARCH ARTICLE-CHEMICAL ENGINEERING
Computational Simulation of CO2 Sorption in Polymeric Membranes Using Genetic Programming Amir Dashti1 · Mojtaba Raji2 · Abouzar Azarafza3,4 · Mashallah Rezakazemi5 · Saeed Shirazian6,7 Received: 3 September 2019 / Accepted: 7 July 2020 © King Fahd University of Petroleum & Minerals 2020
Abstract A statistical model based on genetic programming was developed to study the solubility of CO2 in different polymers including polystyrene, poly(vinyl acetate), polybutylene succinate and poly(butylene succinate-co-adipate). The proposed genetic model can predict the CO2 solubility with the average relative deviation of 0.095, 0.0503, 0.0312, 0.039% and R2 values of greater than 0.98. The results showed efficient applicability of the model and its outperformance in predicting the CO2 solubility compared with other modeling approaches. Therefore, the proposed model contributes to enhancing better understanding of gas/polymer systems and aids in alleviating the difficulties arising in the prediction of gas solubilities during the design and optimization of the relevant processes. Keywords Modeling · Polymer · CO2 · Genetic programming · Artificial intelligence Abbreviations ANN Artificial neural network ARD Average relative deviation CK-SOFT Original statistical associating fluid theory EDMS Extended dual-mode sorption EOSs Equation of states GA Genetic algorithm GP Genetic programming MAE Mean absolute error MSB Magnetic suspension balance * Saeed Shirazian [email protected] 1
Young Researchers and Elites Club, Science and Research Branch, Islamic Azad University, Tehran, Iran
2
Separation Processes Research Group (SPRG), Department of Engineering, University of Kashan, Kashan, Iran
3
Department of Mechanical Engineering, Curtin University, Perth, WA, Australia
4
Fluid Research Group and Curtin Institute for Computation, Curtin University, Perth, WA, Australia
5
Faculty of Chemical and Materials Engineering, Shahrood University of Technology, Shahrood, Iran
6
Department for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City, Vietnam
7
Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam
MSE Mean square error PBS Polybutylene succinate PBSA Poly(butylene succinate-co-adipate) PC-SAFT Perturbed-chain SAFT PPO 2,6-Dimethyl-1,4-phenylene ether PS Polystyrene PVAc Poly(vinyl acetate) R2 Squared correlation coefficient SAFT Statistical associating fluid theories SL Sanchez–Lacombe SS Simha–Somcynsky STD Standard deviation SWP Sako–Wu–Prausinitz
1 Introduction Being a ubiquitous green solute or solvent, CO2 has received special attention as a promising option in many areas such as modification, synthesis and processing of materials due to its unique features such as cheap and non-toxicity, inertness and non-flammability [1–3]. Separation and purification techniques like membranes, chemical/physical absorption and adsorption [4–6] are emerging as new methods i
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