3 years ago

Computer-Aided Molecular Design of New Task-Specific Ionic Liquids for Extractive Desulfurization of Gasoline

Computer-Aided Molecular Design of New Task-Specific Ionic Liquids for Extractive Desulfurization of Gasoline
Patrycja Orzeł, Maciej Zawadzki, Kamil Paduszyński, Marek Królikowski
Machine learning coupled with chemical thermodynamics are shown to be effective tools for computer-aided design of new solvents for greener and cleaner processes of extractive removal of organic sulfur compounds from gasoline.

Publisher URL: http://dx.doi.org/10.1021/acssuschemeng.7b01932

DOI: 10.1021/acssuschemeng.7b01932

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