Connectionist technique estimates H2S solubility in ionic liquids through a low parameter approach

Abstract Adequate knowledge of solubility of acid gases in ionic liquids (ILs) at different thermodynamic conditions is of great importance in the context of gas processing and carbon sequestration. Thus, a precise estimation of this key parameter seems inevitable in the design prospective of IL-based separation processes. This paper introduces another interesting application of least square support vector machine (LSSVM) to forecast hydrogen sulfide (H 2 S) solubility in various ILs. Genetic algorithm (GA) is also employed to obtain optimal magnitudes of hyper parameters (including γ and σ 2 ) which are embedded in the LSSVM technique. Utilizing 465 data samples (e.g., where 11 ionic liquids are included), the new strategy presented in this study demonstrates great predictive performance so that the coefficient of determination ( R 2 ) and mean squared error (MSE) are determined to 0.997594 and 6.6507E−05, respectively. Provided accurate solubility, such a competent tool has high potential to be combined with existing PVT and chemical engineering software packages for the proper design of process equipment in gas sweetening operations.

[1]  M. Shiflett,et al.  Separation of CO2 and H2S using room-temperature ionic liquid [bmim][PF6] , 2010 .

[2]  A. Mehdizadeh,et al.  Solubility and Diffusion of H2S and CO2 in the Ionic Liquid 1-(2-Hydroxyethyl)-3-methylimidazolium Tetrafluoroborate , 2010 .

[3]  Amir H. Mohammadi,et al.  Experimental Study and Modeling of Ultrafiltration of Refinery Effluents Using a Hybrid Intelligent Approach , 2013 .

[4]  M. Shiflett,et al.  Gas solubilities in ionic liquids using a generic van der Waals equation of state , 2010 .

[5]  F. Llovell,et al.  Modeling the absorption of weak electrolytes and acid gases with ionic liquids using the soft-SAFT approach. , 2012, The journal of physical chemistry. B.

[6]  C. Ghotbi,et al.  Thermodynamic modeling of hydrogen sulfide solubility in ionic liquids using modified SAFT-VR and PC , 2011 .

[7]  Ali Elkamel,et al.  Reservoir permeability prediction by neural networks combined with hybrid genetic algorithm and particle swarm optimization , 2013 .

[8]  Mohammad Ali Ahmadi,et al.  Evolving smart approach for determination dew point pressure through condensate gas reservoirs , 2014 .

[9]  Alan E. Mather,et al.  Solubility of Hydrogen Sulfide in [bmim][PF6] , 2007 .

[10]  Johan A. K. Suykens,et al.  Least Squares Support Vector Machines , 2002 .

[11]  J. Brennecke,et al.  High-Pressure Phase Behavior of Carbon Dioxide with Imidazolium-Based Ionic Liquids , 2004 .

[12]  C. Ghotbi,et al.  Solubility of H2S in Ionic Liquids [bmim][PF6], [bmim][BF4], and [bmim][Tf2N] , 2009 .

[13]  H. Modarress,et al.  Correlating and predicting low pressure solubility of gases in [bmim][BF4] by neural network molecular modeling , 2012 .

[14]  A. Forghani,et al.  Thermodynamic modeling of CO2 solubility in ionic liquid ([Cn-mim] [Tf2N]; n=2, 4, 6, 8) with using Wong-Sandler mixing rule, Peng-Rabinson equation of state (EOS) and differential evolution (DE) method , 2011 .

[15]  Alireza Bahadori,et al.  A developed smart technique to predict minimum miscible pressure—eor implications , 2013 .

[16]  G. W. Meindersma,et al.  Solvent properties of functionalized ionic liquids for CO2 absorption , 2007 .

[17]  A. Mehdizadeh,et al.  Solubility of H2S in 1-(2-hydroxyethyl)-3-methylimidazolium ionic liquids with different anions , 2010 .

[18]  Yong He,et al.  Quantification of Nitrogen Status in Rice by Least Squares Support Vector Machines and Reflectance Spectroscopy , 2009, Food and Bioprocess Technology.

[19]  A. Mehdizadeh,et al.  Study of the solubility of CO2, H2S and their mixture in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate: Experimental and modelling , 2013 .

[20]  Vladimir Vapnik,et al.  Statistical learning theory , 1998 .

[21]  Mohammad Ali Ahmadi,et al.  Corrigendum to “Neural network based swarm concept for prediction asphaltene precipitation due to natural depletion” [J. Pet. Sci. Eng. 98–99 (2012) 40–49] , 2013 .

[22]  A. Mehdizadeh,et al.  Solubility and diffusion of CO2 and H2S in the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate , 2010 .

[23]  R. Kharrat,et al.  Gas Analysis by In Situ Combustion in Heavy-Oil Recovery Process: Experimental and Modeling Studies , 2014 .

[24]  Joan F. Brennecke,et al.  High-Pressure Phase Behavior of Ionic Liquid/CO2 Systems , 2001 .

[25]  Christian Silvio Pomelli,et al.  Influence of the interaction between hydrogen sulfide and ionic liquids on solubility: experimental and theoretical investigation. , 2007, The journal of physical chemistry. B.

[26]  C. Ghotbi,et al.  Solubility of H2S in ionic liquids [hmim][PF6], [hmim][BF4], and [hmim][Tf2N] , 2009 .

[27]  A. Mehdizadeh,et al.  Solubility of CO2, H2S, and their mixture in the ionic liquid 1-octyl-3-methylimidazolium bis(trifluoromethyl)sulfonylimide. , 2012, The journal of physical chemistry. B.

[28]  K. Movagharnejad,et al.  A comparative study between LS-SVM method and semi empirical equations for modeling the solubility of different solutes in supercritical carbon dioxide , 2011 .

[29]  Chih-Jen Lin,et al.  Asymptotic Behaviors of Support Vector Machines with Gaussian Kernel , 2003, Neural Computation.

[30]  Cor J. Peters,et al.  High-pressure phase behavior of systems with ionic liquids: II. The binary system carbon dioxide+1-ethyl-3-methylimidazolium hexafluorophosphate , 2004 .

[31]  A. Safekordi,et al.  Solubility of H2S in Ionic Liquids 1-Ethyl-3-methylimidazolium Hexafluorophosphate ([emim][PF6]) and 1-Ethyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylimide ([emim][Tf2N]) , 2010 .

[32]  Johan A. K. Suykens,et al.  Least Squares Support Vector Machine Classifiers , 1999, Neural Processing Letters.

[33]  Mohammad Ali Ahmadi,et al.  Estimation of H2S solubility in ionic liquids using a rigorous method , 2014 .

[34]  H. Modarress,et al.  Application of neural network molecular modeling for correlating and predicting Henry's law constants of gases in [bmim][PF6] at low pressures , 2012 .

[35]  Corinna Cortes,et al.  Support-Vector Networks , 1995, Machine Learning.

[36]  J. Valderrama,et al.  Critical Properties, Normal Boiling Temperatures, and Acentric Factors of Fifty Ionic Liquids , 2007 .

[37]  V. Vapnik Pattern recognition using generalized portrait method , 1963 .

[38]  M. Satyro,et al.  Modelling carbon dioxide solubility in ionic liquids , 2013 .

[39]  J. Kang,et al.  Solubility of mixed gases containing carbon dioxide in ionic liquids: Measurements and predictions , 2007 .

[40]  Mohammad Ali Ahmadi,et al.  Prediction breakthrough time of water coning in the fractured reservoirs by implementing low parameter support vector machine approach , 2014 .

[41]  Ruisheng Zhang,et al.  Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines , 2005, J. Comput. Aided Mol. Des..

[42]  João A. P. Coutinho,et al.  Estimation of speed of sound of ionic liquids using surface tensions and densities: A volume based approach , 2008 .

[43]  Xiangping Zhang,et al.  Solubility of CO2 in Sulfonate Ionic Liquids at High Pressure , 2005 .

[44]  Umut Okkan,et al.  Rainfall–runoff modeling using least squares support vector machines , 2012 .

[45]  Mohammad Ali Ahmadi,et al.  Evolving predictive model to determine condensate-to-gas ratio in retrograded condensate gas reservoirs , 2014 .

[46]  Suojiang Zhang,et al.  Solubilities of CO2 in hydroxyl ammonium ionic liquids at elevated pressures , 2007 .

[47]  Mohammad Ali Ahmadi,et al.  Neural network based swarm concept for prediction asphaltene precipitation due to natural depletion , 2012 .

[48]  Xiaoyan Ji,et al.  Thermodynamic modeling of CO2 solubility in ionic liquid with heterosegmented statistical associating fluid theory , 2010 .

[49]  A. Mehdizadeh,et al.  Solubility of CO2 in 1-(2-hydroxyethyl)-3-methylimidazolium ionic liquids with different anions , 2010 .

[50]  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.

[51]  E. Maginn,et al.  Monte Carlo simulations of gas solubility in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate. , 2005, The journal of physical chemistry. B.

[52]  Ali Elkamel,et al.  Estimation of breakthrough time for water coning in fractured systems: Experimental study and connectionist modeling , 2014 .

[53]  Chi-Man Vong,et al.  Prediction of automotive engine power and torque using least squares support vector machines and Bayesian inference , 2006, Eng. Appl. Artif. Intell..

[54]  Guangyi Cao,et al.  Identification of the Hammerstein model of a PEMFC stack based on least squares support vector machines , 2008 .

[55]  A. Shariati,et al.  High-pressure phase behavior of systems with ionic liquids , 2004 .

[56]  Byung-chul Lee,et al.  High-pressure solubilities of carbon dioxide in ionic liquids: 1-Alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide , 2008 .

[57]  R. Noble,et al.  Diffusion and Solubility Measurements in Room Temperature Ionic Liquids , 2006 .

[58]  Davut Hanbay,et al.  Application of least square support vector machines in the prediction of aeration performance of plunging overfall jets from weirs , 2009, Expert Syst. Appl..

[59]  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 .

[60]  M. Satyro,et al.  A semi-empirical Henry's law expression for carbon dioxide dissolution in ionic liquids , 2011 .

[61]  Modelling of carbon dioxide solubility in ionic liquids at sub and supercritical conditions by neural networks and mathematical regressions , 2008 .

[62]  M. Dehghani,et al.  A modified polar PHSC model for thermodynamic modeling of gas solubility in ionic liquids , 2012 .