Asian Journal of Research in Chemistry

Open Access Open Access  Restricted Access Subscription Access
Open Access Open Access Open Access  Restricted Access Restricted Access Subscription Access

A Simple Group-Interaction Contribution Method for the Prediction of the Freezing Point of Ionic Liquids


Affiliations
1 Kasdi Merbah Ouargla University, B.P. 511, 30000, Ouargla, Algeria ., India
2 Kasdi Merbah Ouargla University, B.P. 511, 30000, Ouargla, Algeria, India
3 Department of Chemical Engineering, Mangosuthu University of Technology, Durban, South Africa., India
4 Ministry of water Resources, State commission on Operation of Irrigation and Drainage projects, Water Resources, El Anbar, Iraq., India
     

   Subscribe/Renew Journal


 

 A linear model based on group-interaction contributions is proposed for the estimation of the freezing temperature (Tf) of ionic liquids (ILs). This property is important for modelling solid-liquid equilibrium and selecting ionic liquids as reaction media among other things. A database of 66 experimental freezing points different ionic liquids was used to obtain all interaction contribution parameters and model constants. The database included various classes of ionic liquids and a wide range of cation and anion groups., with an average absolute relative deviation of 4,09% and a correlation coefficient of 0,93. 


Keywords

Group-Interaction Contribution, Ionic Liquids, Freezing Temperature, Molecular Structure, Property Estimation.
Subscription Login to verify subscription
User
Notifications
Font Size


  • Villanueva J. S. M. Thermal Properties of Pure Ionic liquids, in: A.P.D.L.R.a.F.J.H. Fernandez (Ed.) Ionic Liquids in Separation Technology, Elsevier. 2014; ISBN: 9780444632623

  • Plechkova N. V. Seddon K.R., Applications of ionic liquids in the chemical industry, Chemical Society Reviews. 2008; 37, 123150.doi.org/10.1039/B006677J

  • Fox D. M. Gilman J.W. Morgan A.B. Shields J.R. Maupin P.H., Lyon R.E. De Long H.C. Trulove P.C. Flammability and thermal analysis characterization of imidazolium-based ionic liquids, Industrial & Engineering Chemistry Research. 2008; 47:6327-6332.DOI10.1021/ie800665u

  • Rogers R. D. Seddon K.R. Ionic liquids--solvents of the future?, Science.2003;302:792-793.DOI: 10.1126/science.1090313

  • Trulove P. C. Mantz R.A. Electrochemical properties of ionic liquids, in, Wiley-VCH: Morlenbach., 2003. ISBN 3-527-30612-9

  • Dupont J. On the solid, liquid and solution structural organization of imidazolium ionic liquids, Journal of the Brazilian Chemical Society.2004;15:341-350. https://doi.org/10.1590/S010350532004000300002

  • Schröder U. Wadhawan J. D. Compton R. G. Marken, F. Suarez P. A. Z. Consorti C. S Consorti. F. Roberto de Souzab and Dupont J. Water-induced accelerated ion diffusion: voltammetric studies in 1methyl-3-[2,6-(S)-dimethylocten-2-yl]imidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium tetrafluoroborate and hexafluorophosphate ionic liquids. J. New J. Chem. 2000;24:1009–1015.DOIhttps://doi.org/10.1039/B007172M

  • Marrero‐MorejónJ. GaniR.Group-contribution based estimation of pure component properties, Fluid Phase Equilibria. 2001;183:183208.DOI:10.1016/S0378-3812(01)00431-9

  • Pardillo-Fontdevila E. González-Rubio R. A group-interaction contribution approach. A new strategy for the estimation of physicochemical properties of branched isomers, Chemical Engineering Communications. 1998; 163:245-254.

  • Zhang S. Sun N., He X. Lu X. Zhang X. Physical properties of ionic liquids: database and evaluation, Journal of physical and chemical reference data.. 2006. 35:1475-1517.https://doi.org/10.1063/1.2204959

  • S. Zhang, X. Lu, X. Li, Q. Zhou, X. Zhang, S. Li Ionic Liquids: Physicochemical Properties, 1st Edition, Elsevier Science.2009.

  • Lazzús J. A. A Group Contribution Method For Predicting The Freezing Point Of Ionic Liquids, Periodica Polytechnica Chemical Engineering. 2016; Doi: 10.3311/Ppce.9082. DOI: 10.3311/PPce.9082

  • Constantinou L. Gani R. New group contribution method for estimating properties of pure compounds, AIChE Journal. 1994;40,1697-1710. DOI:10.1002/AIC.690401011

  • Marrero‐Morejón J. Pardillo‐Fontdevila E. Estimation of pure compound properties using group‐interaction contributions, AIChE journal.,1999 ;45: 615-621. doi.org/10.1002/aic.690450318

  • Mokadem K. Korichi M. Tumba K. A new group-interaction contribution method to predict the thermal decomposition temperature of ionic liquids, Original Research Article, Chemometrics and Intelligent Laboratory Systems.2016; 157:189-195.

  • Mokadem K. Korichi M. Group - Interaction Contribution Approach for Prediction of Electrochemical Properties of Ionic Liquids, Computer Aided Chemical Engineerin. 2016;38:451-456. DOI: 10.1016/j.fluid.2020.112462 .


Abstract Views: 158

PDF Views: 0




  • A Simple Group-Interaction Contribution Method for the Prediction of the Freezing Point of Ionic Liquids

Abstract Views: 158  |  PDF Views: 0

Authors

Khadra Mokadem
Kasdi Merbah Ouargla University, B.P. 511, 30000, Ouargla, Algeria ., India
Belfar Mohemed Lakhdar
Kasdi Merbah Ouargla University, B.P. 511, 30000, Ouargla, Algeria, India
Kaniki Tumba
Department of Chemical Engineering, Mangosuthu University of Technology, Durban, South Africa., India
Abdulqader Saad Abed
Ministry of water Resources, State commission on Operation of Irrigation and Drainage projects, Water Resources, El Anbar, Iraq., India
Mourad Korichi
Kasdi Merbah Ouargla University, B.P. 511, 30000, Ouargla, Algeria ., India

Abstract


 

 A linear model based on group-interaction contributions is proposed for the estimation of the freezing temperature (Tf) of ionic liquids (ILs). This property is important for modelling solid-liquid equilibrium and selecting ionic liquids as reaction media among other things. A database of 66 experimental freezing points different ionic liquids was used to obtain all interaction contribution parameters and model constants. The database included various classes of ionic liquids and a wide range of cation and anion groups., with an average absolute relative deviation of 4,09% and a correlation coefficient of 0,93. 


Keywords


Group-Interaction Contribution, Ionic Liquids, Freezing Temperature, Molecular Structure, Property Estimation.

References