A quantitative prediction of the viscosity of ionic liquids using Sσ-profile molecular descriptors
Literature Information
Xiangping Zhang, Suojiang Zhang
In this study, two novel QSPR models have been developed to predict the viscosity of ionic liquids (ILs) using multiple linear regression (MLR) and support vector machine (SVM) algorithms based on Conductor-like Screening Model for Real Solvents (COSMO-RS) molecular descriptors (Sσ-profile). A total data set of 1502 experimental viscosity data points under a wide range of temperatures and pressures for 89 ILs, is employed to train and verify the models. The Average Absolute Relative Deviation (AARD) values of the total data set of the MLR and SVM are 10.68% and 6.58%, respectively. The results show that both the MLR and SVM models can predict the viscosity of ILs, and the performance of the nonlinear model developed using the SVM is superior to the linear model (MLR). Furthermore, the derived models also can throw some light onto structural characteristics that are related to the viscosity of ILs.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












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