Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics

Ionic liquids (ILs) are used in various fields of chemistry. One of them is CO<sub>2</sub> capture, a process that is quite well described. The solubility of CO<sub>2</sub> in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relations...

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Bibliographic Details
Main Authors: Marta Bystrzanowska, Marek Tobiszewski, Francisco Pena-Pereira, Vasil Simeonov
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/25/5/1156
Description
Summary:Ionic liquids (ILs) are used in various fields of chemistry. One of them is CO<sub>2</sub> capture, a process that is quite well described. The solubility of CO<sub>2</sub> in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO<sub>2</sub> and other variables&#8212;physicochemical properties and parameters related to greenness. In this study, 12 variables are used to describe a dataset consisting of 26 ILs and 16 molecular solvents. We used a cluster analysis, a principal component analysis, and a K-means hierarchical clustering to find the patterns in the dataset and the discriminators between the clusters of compounds. The results showed that ILs and molecular solvents form two well-separated groups, and the variables were well separated into greenness-related and physicochemical properties. Such patterns suggest that the modeling of greenness properties and of the solubility of CO<sub>2</sub> on physicochemical properties can be difficult.
ISSN:1420-3049