학술논문
Dielectric constant of dipolar hard sphere mixtures.
Document Type
Article
Author
Source
Subject
*MONTE Carlo method
*YANG-Baxter equation
*NUCLEAR chemistry
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Language
ISSN
0021-9606
Abstract
The dielectric constant of dipolar hard sphere mixtures is calculated from the analytic solution of the mean spherical approximation (MSA) and using Monte Carlo simulation. The MSA is solved using the factorization technique pioneered by Wertheim and Baxter and extended to nonspherical interactions by Blum. The simulations are performed using the Ewald technique to take into account the long-ranged dipolar interactions. The simulation results are compared to those obtained from the MSA as well as a modified MSA and a continuum theory due to Looyenga. [ABSTRACT FROM AUTHOR]