Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid–liquid extraction
نویسندگان
چکیده
منابع مشابه
Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model.
A coarse-grained ionic liquid model has been developed to investigate the structure and dynamic properties of 1-n-alkyl-3-methylimidazolium hexafluorophosphate [C(n)mim][PF(6)] ionic liquids with alkyl chains up to ten carbon atoms. Two mapping schemes are compared, showing that different ways of grouping the atoms into coarse-grained beads affect differently the structure and dynamics of the l...
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ژورنال
عنوان ژورنال: Green Chemistry
سال: 2020
ISSN: 1463-9262,1463-9270
DOI: 10.1039/d0gc01823f