Abstract
Aromaticity index (AI) and double‐bond equivalent (DBE) were studied to seek a simpler approach in identifying suitable ionic liquids for the desulphurization process. Manifestation of interaction mechanism by COSMO‐RS and Raman spectroscopy is discussed. The findings demonstrate that AI and DBE calculations can be used to analyze and arrogate potential combination of cation and anion for fuel desulphurization purposes.
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