Show simple item record

AuthorGarcia, G.
AuthorAtilhan, M.
AuthorAparicio, S.
Available date2016-02-15T09:42:44Z
Publication Date2014-08
Publication NameChemical Physics Letters
Identifierhttp://dx.doi.org/10.1016/j.cplett.2014.07.051
CitationGarcia, G., Atilhan, M., Aparicio, S. "Viscous origin of ionic liquids at the molecular level: A quantum chemical insight," (2014) Chemical Physics Letters, 610-611, pp. 267-272.
ISSN0009-2614
URIhttp://hdl.handle.net/10576/4154
AbstractThe viscosity of selected families of ionic liquids has been assessed at the molecular level as a function of the intermolecular interactions using Density Functional Theory together with Atoms-in-a-Molecule and Natural Bond Orbitals approaches. Large ion clusters were studied, with the energetics and topology of interactions being related with experimental viscosity data to infer nanoscopic mechanisms controlling the viscous behavior. The reported results exhibit important information on the molecular basis controlling viscosity, which would allow advancing in the development of low-viscous ionic liquids, through a judicious selection of ion pairs considering their interactions and molecular structure.
SponsorJunta de Castilla y Leon, cofunding by European Social Fund
Languageen
PublisherElsevier
SubjectQuantum chemistry
SubjectViscosity
SubjectDensity functional theory
SubjectDensity of liquids
SubjectLiquids
SubjectViscosity
TitleViscous origin of ionic liquids at the molecular level: A quantum chemical insight
TypeArticle
Pagination267-272
Volume Number610-611


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record