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Physical chemistry chemical physics : PCCP

Polycyclic aromatic hydrocarbons as model solutes for carbon nanomaterials in ionic liquids.


PMID 28983549

Abstract

The aim of this work is to understand the details of the interactions of ionic liquids with carbon nanomaterials (graphene and nanotubes) using polyaromatic compounds as model solutes. We have combined the measurements of thermodynamic quantities of solvation with molecular dynamics simulations to provide a microscopic view. The solubility of five polycyclic aromatic hydrocarbons (naphthalene, anthracene, phenanthrene, pyrene and coronene) was determined in seven ionic liquids ([C

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