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, Fangyou Yan, Qingzhu Jia, Shuqian Xia, and Qiang Wang
- Subjects
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IONIC liquids , *THERMAL conductivity , *AMMONIUM compounds , *IMIDAZOLES , *PHOSPHONIUM compounds , *PYRIDINIUM compounds - 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 R ² 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 based model could be adopted to estimate the thermal conductivity of diversified ionic liquids at variable temperature and pressure. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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