Linked Life Data

19338368

Source:http://linkedlifedata.com/resource/pubmed/id/19338368

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
14
pubmed:dateCreated
2009-4-2
pubmed:abstractText
A dilute aqueous solution of the salt 1-n-butyl,3-methylimidazolium hexafluorophosphate ([bmim][PF(6)]) has been studied using molecular dynamics simulations to investigate the effect of ions on water and vice versa. The anion is found to diffuse faster than the cation in the solution, in contrast to observations in the pure ionic liquid. Distributions of pair energies have been employed to identify ion association, and around 13% of the ions were found to exist as pairs. The mean potential energy of water molecules present in the coordination shell of an anion is less than that of water molecules coordinated to a cation. The former kind also exhibit two distinct orientational preferences with respect to the anion. The larger diffusion coefficient of the anion is related to the faster dynamics of water molecules in its hydration layer, as evidenced from the relaxation of their residence time correlation function.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
1520-6106
pubmed:author
pubmed:issnType
Print
pubmed:day
9
pubmed:volume
113
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
4799-806
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
Aqueous solution of [bmim][PF6]: ion and solvent effects on structure and dynamics.
pubmed:affiliation
Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India.
pubmed:publicationType
Journal Article