1. Description of the Thermal Conductivity λ(T, P) of Ionic Liquids Using the Structure–Property Relationship Method
- Author
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Wensi He, Shuqian Xia, Qingzhu Jia, Fangyou Yan, and Qiang Wang
- Subjects
Work (thermodynamics) ,General Chemical Engineering ,Structure property ,Thermodynamics ,02 engineering and technology ,General Chemistry ,021001 nanoscience & nanotechnology ,Stability (probability) ,chemistry.chemical_compound ,Thermal conductivity ,020401 chemical engineering ,chemistry ,Ionic liquid ,Organic chemistry ,Phosphonium ,Pyridinium ,0204 chemical engineering ,0210 nano-technology ,Applicability domain - Abstract
Ionic liquids (ILs) have attracted much attention in the past few years for their distinctive properties. Thermal conductivity plays an important role in industrial applications. This work presents a linear model based on the norm-indexes to describe the relationship between ILs thermal conductivity and their structure as well as temperature and pressure. A total data set of 475 experimental thermal conductivity data points under a wide range of temperatures (273.15–355.07K) and pressures (0.1–20.0 MPa) for five types of ionic liquids containing ammonium, phosphonium, imidazolium, pyridinium, and pyrrolidinium were employed to train and test the model. The results revealed that this proposed method presented a good accuracy with high F of 1540, high R2 of 0.984, and low AARD of 1.45%. In addition, the good results of 5-fold cross-validation, external validation, Y-randomization test, as well as applicability domain further illustrate the stability and reliability of this work. Accordingly, this norm-index...
- Published
- 2017
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