Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content

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Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content.

We study the dynamics of the formation of multiple hydrogen bonds between ionic liquid anions and cellulose using molecular dynamics simulations. We examine fifteen different ionic liquids composed of 1-alkyl-3-methylimidazolium cations ([Cnmim], n = 1, 2, 3, 4, 5) paired with either chloride, acetate or dimethylphosphate. We map the transitions of anions hydrogen bonded to cellulose into diffe...

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ژورنال

عنوان ژورنال: Physical Chemistry Chemical Physics

سال: 2015

ISSN: 1463-9076,1463-9084

DOI: 10.1039/c4cp04060k