A computer simulation study of the dielectric properties of a model of methyl cyanide
作者： Duncan M.F. Edwards , Paul A. Madden , Ian R. McDonald
DOI: 10.1080/00268978400100731
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摘要: The dielectric permittivity of a model fluid representing methyl cyanide has been studied with view to testing recently developed theory the frequency dependent permittivity. Although there are large correlations between orientations dipoles Kirkwood g factor is close trivial value unity; this contrasts behaviour Stockmayer and similar fluids consequence molecular shape. time dependence both longitudinal transverse components dipole density obtained related relaxation single molecule correlation function. applicability ‘dipolaron’ description oscillation observed in component examined.
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sci-hub.se 参考文章(30)
Società italiana di fisica, J. Van Kranendonk, Intermolecular spectroscopy and dynamical properties of dense systems isdp. ,(1980)
Roberto Lobo, John E. Robinson, Sergio Rodriguez, High frequency dielectric response of dipolar liquids Journal of Chemical Physics. ,vol. 59, pp. 5992- 6008 ,(1973) , 10.1063/1.1679967
E.L. Pollock, B.J. Alder, Static dielectric properties of stockmayer fluids Physica A-statistical Mechanics and Its Applications. ,vol. 102, pp. 1- 21 ,(1980) , 10.1016/0378-4371(80)90058-8
E. L. Pollock, B. J. Alder, Frequency-Dependent Dielectric Response in Polar Liquids Physical Review Letters. ,vol. 46, pp. 950- 953 ,(1981) , 10.1103/PHYSREVLETT.46.950
U. M. Titulaer, J. M. Deutch, Analysis of conflicting theories of dielectric relaxation The Journal of Chemical Physics. ,vol. 60, pp. 1502- 1513 ,(1974) , 10.1063/1.1681223
R.W. Impey, P.A. Madden, D.J. Tildesley, On the calculation of the orientational correlation parameter g 2 Molecular Physics. ,vol. 44, pp. 1319- 1334 ,(1981) , 10.1080/00268978100103211
Daniel Kivelson, Paul Madden, Theory of dielectric relaxation Molecular Physics. ,vol. 30, pp. 1749- 1780 ,(1975) , 10.1080/00268977500103271
D.J. Tildesley, P.A. Madden, Time correlation functions for a model of liquid carbon disulphide Molecular Physics. ,vol. 48, pp. 129- 152 ,(1983) , 10.1080/00268978300100091
R.M. Lynden-Bell, I.R. McDonald, Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules Molecular Physics. ,vol. 43, pp. 1429- 1440 ,(1981) , 10.1080/00268978100102181
Michael L. Klein, Ian R. McDonald, Séamus F. O’Shea, An intermolecular force model for (HF)2 Journal of Chemical Physics. ,vol. 69, pp. 63- 66 ,(1978) , 10.1063/1.436346