The Monte Carlo approach to model and predict the melting point of imidazolium ionic liquids using hybrid optimal descriptors
Shahram Lotfi, Shahin Ahmadi, Prof Parvin Kumar
Abstract
The melting points of imidazolium ILs are studied employing a quantitative structure–property relationship (QSPR) approach to develop a model for predicting the melting points of a data set of imidazolium ILs.
Topics & Concepts
Monte Carlo methodIonic liquidMelting pointIonic bondingPoint (geometry)Statistical physicsChemistryMaterials scienceIonPhysicsMathematicsOrganic chemistryStatisticsCatalysisGeometryIonic liquids properties and applicationsCrystallization and Solubility StudiesExtraction and Separation Processes