The role of Coulomb forces in the properties of ionic liquids

作者: Frédéric Lantelme , Pierre Turq

DOI: 10.1063/1.447492

关键词: High pressureCoulombSmall particlesAtomic physicsRange (particle radiation)Chemical physicsElectrolyteMolecular dynamicsInternal energyIonic liquidChemistryPhysical and Theoretical ChemistryGeneral Physics and Astronomy

摘要: To examine the role of Coulomb forces in properties liquids two ensembles charged and neutral particles have been studied by molecular dynamics calculations. It is shown that long range a strong structuring effect lead to high values internal energy. The differences between systems are very large at low pressure. At pressure confinement acts as cohesive force thus reduces difference uncharged ensembles. presence enhances lifetime local structures; this principally apparent for small which cooperative anion–cation motions become important particularly density. This behavior results from attractive can be considered beginning an association process.

参考文章(16)
B. J. Alder, W. E. Alley, J. H. Dymond, Studies in molecular dynamics. XIV. Mass and size dependence of the binary diffusion coefficient Journal of Chemical Physics. ,vol. 61, pp. 1415- 1420 ,(1974) , 10.1063/1.1682067
Jean‐Pierre Boon, Stuart A. Rice, Memory Effects and the Autocorrelation Function of a Dynamical Variable The Journal of Chemical Physics. ,vol. 47, pp. 2480- 2490 ,(1967) , 10.1063/1.1703333
Koichiro Nakanishi, Kazuo Toukubo, Nobuatsu Watanabe, Molecular dynamics studies of Lennard‐Jones liquid mixtures. IV. Further calculation on the behavior of one different particle as a model of real fluid systems The Journal of Chemical Physics. ,vol. 68, pp. 2041- 2045 ,(1978) , 10.1063/1.436026
F. Lantelme, Mass and size effect in condensed fluids Rare gases and ionic liquids Molecular Physics. ,vol. 47, pp. 1277- 1284 ,(1982) , 10.1080/00268978200100962
Frédéric Lantelme, Pierre Turq, Peter Schofield, On the use of memory functions in the study of the dynamical properties of ionic liquids Journal of Chemical Physics. ,vol. 71, pp. 2507- 2513 ,(1979) , 10.1063/1.438659
A. Klemm, An Incomplete-Dissociation Model for Diffusion and Ionic Conduction in Pure Molten Salts Zeitschrift für Naturforschung A. ,vol. 38, pp. 516- 519 ,(1983) , 10.1515/ZNA-1983-0505
Frédéric Lantelme, Pierre Turq, Ionic dynamics in the LiCl–KCl system at liquid state The Journal of Chemical Physics. ,vol. 77, pp. 3177- 3187 ,(1982) , 10.1063/1.444192
David P. Dean, Joseph N. Kushick, On the role of attractive forces in the cage effect in simple liquids Journal of Chemical Physics. ,vol. 76, pp. 619- 621 ,(1982) , 10.1063/1.442712