Abstract
Ionic liquids (ILs) are used in various fields of chemistry. One of them is CO2 capture, a process that is quite well described. The solubility of CO2 in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO2 and other variables—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 CO2 on physicochemical properties can be difficult.
Highlights
The implementation of the green chemistry concept in the design of processes and products is a common practice nowadays
The initial idea was embodied in the form of the 12 principles of green chemistry formulated by Anastas and Warner [1], which mostly refer to organic synthesis
Multivariate statistics allowed us to find the internal patterns in a dataset of solvents, including Ionic liquids (ILs) and molecular solvents
Summary
The implementation of the green chemistry concept in the design of processes and products is a common practice nowadays. The initial idea was embodied in the form of the 12 principles of green chemistry formulated by Anastas and Warner [1], which mostly refer to organic synthesis. Bearing in mind the principles of green chemistry, a priority is on the minimization of the use of solvents, the replacement of harmful ones, and recycling, i.e., the so-called “3R”. The selection of an appropriate alternative, such as a green solvent (a substance that is not toxic towards human and other organisms, safe, biodegradable and recyclable, produced from renewable sources, and with no significant interference with the environment), is a very important and difficult step, in regards to the application of greener methods [4]. It is worth remembering that the finding of a greener option should be to provide a replacement, and additional advantages, such as: improved selectivity, sensitivity, reliability of analysis, or reduction in analysis/reaction time [5]
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