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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-03-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/5/1156 |
| _version_ | 1818935789741932544 |
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| author | Marta Bystrzanowska Marek Tobiszewski Francisco Pena-Pereira Vasil Simeonov |
| author_facet | Marta Bystrzanowska Marek Tobiszewski Francisco Pena-Pereira Vasil Simeonov |
| author_sort | Marta Bystrzanowska |
| collection | DOAJ |
| description | 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—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. |
| first_indexed | 2024-12-20T05:25:45Z |
| format | Article |
| id | doaj.art-552a5ca1b9c54279ba32df351f7b22f4 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-20T05:25:45Z |
| publishDate | 2020-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-552a5ca1b9c54279ba32df351f7b22f42022-12-21T19:51:53ZengMDPI AGMolecules1420-30492020-03-01255115610.3390/molecules25051156molecules25051156Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate StatisticsMarta Bystrzanowska0Marek Tobiszewski1Francisco Pena-Pereira2Vasil Simeonov3Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology (GUT), 11/12 G. Narutowicza St., 80-233 Gdańsk, PolandDepartment of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology (GUT), 11/12 G. Narutowicza St., 80-233 Gdańsk, PolandDepartment of Analytical and Food Chemistry, Faculty of Chemistry, University of Vigo, Campus As Lagoas-Marcosende s/n, 36310 Vigo, SpainChair of Analytical Chemistry, Faculty of Pharmacy and Chemistry, University of Sofia “St. Kl. Okhridski”, J.Bourchier Blvd. 1,1164 Sofia, BulgariaIonic 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—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.https://www.mdpi.com/1420-3049/25/5/1156ionic liquidsco<sub>2</sub> solubilitymultivariate statisticsgreen solventscluster analysis |
| spellingShingle | Marta Bystrzanowska Marek Tobiszewski Francisco Pena-Pereira Vasil Simeonov Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics Molecules ionic liquids co<sub>2</sub> solubility multivariate statistics green solvents cluster analysis |
| title | Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics |
| title_full | Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics |
| title_fullStr | Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics |
| title_full_unstemmed | Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics |
| title_short | Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics |
| title_sort | searching for solvents with an increased carbon dioxide solubility using multivariate statistics |
| topic | ionic liquids co<sub>2</sub> solubility multivariate statistics green solvents cluster analysis |
| url | https://www.mdpi.com/1420-3049/25/5/1156 |
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