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Development of an Infinite Dilution Activity Coefficient Prediction Model for Organic Solutes in Ionic Liquids with Modified Partial Equalization Orbital Electronegativity Method Derived Descriptors
[Image: see text] The objective of this study was to develop a robust prediction model for the infinite dilution activity coefficients (γ(∞)) of organic molecules in diverse ionic liquid (IL) solvents. Electrostatic, hydrogen bond, polarizability, molecular structure, and temperature terms were used...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8210453/ https://www.ncbi.nlm.nih.gov/pubmed/34151114 http://dx.doi.org/10.1021/acsomega.1c01690 |