Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a poo...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-02-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/5/1077 |
| _version_ | 1818851436655542272 |
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| author | Ahmad Alhadid Liudmila Mokrushina Mirjana Minceva |
| author_facet | Ahmad Alhadid Liudmila Mokrushina Mirjana Minceva |
| author_sort | Ahmad Alhadid |
| collection | DOAJ |
| description | Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a pool of substances sharing the same chemical functionality was presented. First, the melting entropy of single compounds was correlated with their molecular structure to calculate their melting enthalpy. Subsequently, the eutectic temperature of the screened binary systems was qualitatively predicted, and the systems were ordered according to the depth of the eutectic temperature. The approach was demonstrated for six hydrophobic eutectic systems composed of L-menthol and monocarboxylic acids with linear and cyclic structures. It was found that the melting entropy of compounds sharing the same functionality could be well correlated with their molecular structures. As a result, when the two acids had a similar melting temperature, the melting enthalpy of a rigid acid was found to be lower than that of a flexible acid. It was demonstrated that compounds with more rigid molecular structures could form deeper eutectics. The proposed approach could decrease the experimental efforts required to design deep eutectic solvents, particularly when the melting enthalpy of pure components is not available. |
| first_indexed | 2024-12-19T07:05:00Z |
| format | Article |
| id | doaj.art-aa0297fdd5d74db68c0662f9294bb720 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-19T07:05:00Z |
| publishDate | 2020-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-aa0297fdd5d74db68c0662f9294bb7202022-12-21T20:31:19ZengMDPI AGMolecules1420-30492020-02-01255107710.3390/molecules25051077molecules25051077Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture ConstituentsAhmad Alhadid0Liudmila Mokrushina1Mirjana Minceva2Biothermodynamics, TUM School of Life Sciences Weihenstephan, Technical University of Munich, Maximus-von-Imhof-Forum 2, 85354 Freising, GermanySeparation Science & Technology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstr. 3, 91058 Erlangen, GermanyBiothermodynamics, TUM School of Life Sciences Weihenstephan, Technical University of Munich, Maximus-von-Imhof-Forum 2, 85354 Freising, GermanyEutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a pool of substances sharing the same chemical functionality was presented. First, the melting entropy of single compounds was correlated with their molecular structure to calculate their melting enthalpy. Subsequently, the eutectic temperature of the screened binary systems was qualitatively predicted, and the systems were ordered according to the depth of the eutectic temperature. The approach was demonstrated for six hydrophobic eutectic systems composed of L-menthol and monocarboxylic acids with linear and cyclic structures. It was found that the melting entropy of compounds sharing the same functionality could be well correlated with their molecular structures. As a result, when the two acids had a similar melting temperature, the melting enthalpy of a rigid acid was found to be lower than that of a flexible acid. It was demonstrated that compounds with more rigid molecular structures could form deeper eutectics. The proposed approach could decrease the experimental efforts required to design deep eutectic solvents, particularly when the melting enthalpy of pure components is not available.https://www.mdpi.com/1420-3049/25/5/1077eutectic mixturesdeep eutectic solventssolid–liquid equilibriahydrophobic dessmelting properties |
| spellingShingle | Ahmad Alhadid Liudmila Mokrushina Mirjana Minceva Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents Molecules eutectic mixtures deep eutectic solvents solid–liquid equilibria hydrophobic dess melting properties |
| title | Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents |
| title_full | Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents |
| title_fullStr | Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents |
| title_full_unstemmed | Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents |
| title_short | Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents |
| title_sort | design of deep eutectic systems a simple approach for preselecting eutectic mixture constituents |
| topic | eutectic mixtures deep eutectic solvents solid–liquid equilibria hydrophobic dess melting properties |
| url | https://www.mdpi.com/1420-3049/25/5/1077 |
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