Estimating CH4 and CO2 solubilities in ionic liquids using computational intelligence approaches

Abstract In this work, we aimed to evaluate the high potential of different ionic liquids (ILs) in the field of gas separation. The gas solubility values of natural gas comprised of methane (CH4) and carbon dioxide (CO2) has been determined for 11 dissimilar ILs. To develop the predictive model, the mole fraction of CH4, the mole fraction of CO2, % CH4 in the feed, % CO2 in the feed, temperature, critical pressure (PC), acentric factor (ω) and critical temperature (TC) of ionic liquids were assumed as the inputs, while the bubble-point pressures of CH4 and CO2 were calculated as the desired output. Two intelligent methods namely CSA-LSSVM and PSO-ANFIS were proposed to correlate the inputs and outputs. Moreover, to assure the reliability of the models, several graphical and statistical diagrams were precisely plotted and analyzed. Based on the obtained results, it became obvious that the improved models had high accuracy and showed more precision compared to other intelligent algorithms in the prediction of actual gas solubility data. In fact, the LSSVM model demonstrated better performance and more precision compared to other developed models. The results of the current work confirmed that intelligent-based algorithms are influential and advantageous substitution for complex and time-consuming investigational procedures in the field of estimating gas solubility.

[1]  S. Kareth,et al.  New instrument to measure the selective sorption of gas mixtures under high pressures , 2008 .

[2]  Russell C. Eberhart,et al.  A new optimizer using particle swarm theory , 1995, MHS'95. Proceedings of the Sixth International Symposium on Micro Machine and Human Science.

[3]  Zhien Zhang,et al.  A robust predictive tool for estimating CO2 solubility in potassium based amino acid salt solutions , 2017 .

[4]  T. Vlugt,et al.  Solubility of CO2 and CH4 in Ionic Liquids: Ideal CO2/CH4 Selectivity , 2014 .

[5]  Mashallah Rezakazemi,et al.  Development of a least squares support vector machine model for prediction of natural gas hydrate formation temperature , 2017 .

[6]  Mashallah Rezakazemi,et al.  Development of hybrid models for prediction of gas permeation through FS/POSS/PDMS nanocomposite membranes , 2018, International Journal of Hydrogen Energy.

[7]  C. D. Gelatt,et al.  Optimization by Simulated Annealing , 1983, Science.

[8]  Mashallah Rezakazemi,et al.  Gas sorption in H2-selective mixed matrix membranes: Experimental and neural network modeling , 2013 .

[9]  Amir H. Mohammadi,et al.  Predictive model based on ANFIS for estimation of thermal conductivity of carbon dioxide , 2016 .

[10]  Mashallah Rezakazemi,et al.  Computational fluid dynamics simulation of transport phenomena in ceramic membranes for SO2 separation , 2012, Math. Comput. Model..

[11]  M. Rezakazemi,et al.  Accurate prediction of miscibility of CO2 and supercritical CO2 in ionic liquids using machine learning , 2018 .

[12]  Mashallah Rezakazemi,et al.  Numerical modeling and optimization of wastewater treatment using porous polymeric membranes , 2013 .

[13]  Amir H. Mohammadi,et al.  Compositional Model for Estimating Asphaltene Precipitation Conditions in Live Reservoir Oil Systems , 2015 .

[14]  J. Prausnitz,et al.  Equation of state for fluids containing chainlike molecules , 1996 .

[15]  M. Rezakazemi,et al.  Evaluation of socio-economic factors on CO 2 emissions in Iran: Factorial design and multivariable methods , 2018, Journal of Cleaner Production.

[16]  M. Althuluth.  Natural gas sweetening using ionic liquids , 2014 .

[17]  Honglai Liu,et al.  Description of the pVT behavior of ionic liquids and the solubility of gases in ionic liquids using an equation of state , 2006 .

[18]  A. Mohammadi,et al.  Efficient estimation of acid gases (CO2 and H2S) absorption in ionic liquids , 2017 .

[19]  Kwang Hyung Lee,et al.  First Course on Fuzzy Theory and Applications , 2005, Advances in Soft Computing.

[20]  Alireza Bahadori,et al.  Prediction of carbon dioxide solubility in aqueous mixture of methyldiethanolamine and N-methylpyrrolidone using intelligent models , 2016 .

[21]  M. Rezakazemi,et al.  CFD simulation of natural gas sweetening in a gas–liquid hollow-fiber membrane contactor , 2011 .

[22]  R. Shah,et al.  Least Squares Support Vector Machines , 2022 .

[23]  Thijs J. H. Vlugt,et al.  State-of-the-Art of CO2 Capture with Ionic Liquids , 2012 .

[24]  D. Peng,et al.  A New Two-Constant Equation of State , 1976 .

[25]  Mashallah Rezakazemi,et al.  Molecular dynamics, grand canonical Monte Carlo and expert simulations and modeling of water–acetic acid pervaporation using polyvinyl alcohol/tetraethyl orthosilicates membrane , 2018, Journal of Molecular Liquids.

[26]  T. Vlugt,et al.  Solubility of CO2/CH4 gas mixtures in ionic liquids , 2014 .

[27]  N. Kasiri,et al.  Ternary gas permeation through synthesized pdms membranes: Experimental and CFD simulation basedon sorption‐dependent system using neural network model , 2014 .

[28]  Mashallah Rezakazemi,et al.  An intelligent approach to predict gas compressibility factor using neural network model , 2017, Neural Computing and Applications.

[29]  Mashallah Rezakazemi,et al.  Separation of CO2 by single and mixed aqueous amine solvents in membrane contactors: fluid flow and mass transfer modeling , 2011, Engineering with Computers.

[30]  A. Mohammadi,et al.  Rigorous prognostication and modeling of gas adsorption on activated carbon and Zeolite-5A. , 2018, Journal of environmental management.

[31]  A. Dashti,et al.  H-2-selective mixed matrix membranes modeling using ANFIS, PSO-ANFIS, GA-ANFIS , 2017 .

[32]  A. Mohammadi,et al.  Reliable modeling of constant volume depletion (CVD) behaviors in gas condensate reservoirs , 2018, Fuel.

[33]  B. Bruggen,et al.  Effect of flow and module configuration on SO2 absorption by using membrane contactors , 2017 .

[34]  A. Nazari,et al.  Simulation and determination of optimum conditions of pervaporative dehydration of isopropanol proce , 2011 .

[35]  Adisorn Aroonwilas,et al.  CO2 absorption into MEA-AMP blend: Mass transfer and absorber height index , 2009 .

[36]  Mashallah Rezakazemi,et al.  Gas permeation through H2-selective mixed matrix membranes: Experimental and neural network modeling , 2013 .

[37]  A. Mohammadi,et al.  Comparison of two soft computing approaches for predicting CO2 solubility in aqueous solution of piperazine , 2016 .

[38]  Mashallah Rezakazemi,et al.  Implementation of the Finite Element Method for Simulation of Mass Transfer in Membrane Contactors , 2012 .

[39]  T. Matsuura,et al.  Thermally stable polymers for advanced high-performance gas separation membranes , 2018 .

[40]  A. Yokozeki,et al.  Solubilities and Diffusivities of Carbon Dioxide in Ionic Liquids: [bmim][PF6] and [bmim][BF4] , 2005 .

[41]  Joan F Brennecke,et al.  Enhancement of oxygen and methane solubility in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide using carbon dioxide. , 2005, Chemical communications.

[42]  Ahmad B. Albadarin,et al.  Simulation of CO2 absorption by solution of ammonium ionic liquid in hollow-fiber contactors , 2016 .

[43]  R. Sheldon,et al.  High-pressure phase behavior of systems with ionic liquids: Part V. The binary system carbon dioxide+1-butyl-3-methylimidazolium tetrafluoroborate , 2005 .

[44]  Mashallah Rezakazemi,et al.  Accurate prediction of solubility of gases within H2-selective nanocomposite membranes using committee machine intelligent system , 2018 .

[45]  R. J. Kuo,et al.  Integration of particle swarm optimization-based fuzzy neural network and artificial neural network for supplier selection , 2010 .

[46]  A. Ismail,et al.  State-of-the-art membrane based CO2 separation using mixed matrix membranes (MMMs): An overview on current status and future directions , 2014 .

[47]  Mashallah Rezakazemi,et al.  Development of a 3D Hybrid Intelligent-Mechanistic Model for Simulation of Multiphase Chemical Reactors , 2018, Chemical Engineering & Technology.

[48]  E. Karakatsani,et al.  Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state. , 2006, The journal of physical chemistry. B.

[49]  Measurement and correlation of supercritical CO2 and ionic liquid systems for design of advanced unit operations , 2009 .