Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors

Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors

This work presents the development of molecular-based mathematical model for the prediction of CO2 solubility in deep eutectic solvents (DESs). First, a comprehensive database containing 1011 CO2 solubility data in various DESs at different temperatures and pressures is established, and the COSMO-RS...

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Bibliographic Details
Main Authors: Jingwen Wang, Zhen Song, Lifang Chen, Tao Xu, Liyuan Deng, Zhiwen Qi
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2021-12-01
Series:Green Chemical Engineering
Subjects:
CO2 solubility prediction
Deep eutectic solvents
Quantitative structure-property relationship model
COSMO-RS-derived descriptors
Random forest
Online Access:http://www.sciencedirect.com/science/article/pii/S2666952821000534

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http://www.sciencedirect.com/science/article/pii/S2666952821000534

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