Khadra Mokadem, Belfar Mohemed Lakhdar, K. Tumba, Abdulqader Saad Abed, M. Korichi
{"title":"A Simple Group-Interaction Contribution Method for the Prediction of the Freezing Point of Ionic Liquids","authors":"Khadra Mokadem, Belfar Mohemed Lakhdar, K. Tumba, Abdulqader Saad Abed, M. Korichi","doi":"10.52711/0974-4150.2022.00071","DOIUrl":null,"url":null,"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.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":"37 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Asian Journal of Research in Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.52711/0974-4150.2022.00071","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
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.