Understanding ionic liquids through atomistic and coarse-grained molecular dynamics simulations
Article Abstract:
Atomistic and coarse-grained molecular dynamic simulations were used for examining the physical properties of ionic liquids (ILs). A spatial heterogeneity is observed in ILs with an amphiphilic cation due to the aggregation of their nonpolar alkyl tails.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
Usage, Heterogeneous catalysis, Molecular dynamics
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
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Accounting for the unique, doubly dual nature of ionic liquids from a molecular thermodynamic and modeling standpoint
Article Abstract:
A study to examine the thermophysical behavior of ionic liquid-containing systems is conducted. Findings reveal the doubly dual nature of ionic liquids and the existence of cations and anions forming high- and low-charge density regions.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
Chemical thermodynamics
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
Subjects list: Research, Observations, Ionic solutions, Chemical properties
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