In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

Mood Mohan; Jay D Keasling; Blake A. Simmons; Seema Singh

doi:10.1039/d1gc03464b

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In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

Article 2022 en

Abstract

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Herein we report the screening of 9405 ionic liquids for plastic dissolution using the continuum solvation model (COMSO-RS) and the results are validated with experiments.

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<i>In silico</i> COSMO-RS predictive screening of ionic liquids for the dissolution of plastic