A systematic Monte Carlo simulation and renormalized perturbation theoretical study of the dielectric constant of the polarizable Stockmayer fluid |
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| Authors: | MÓNIKA VALISKÓ DEZS? BODA JÁNOS LISZI ISTVÁN SZALAI |
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| Institution: | 1. Department of Physical Chemistry , University of Veszprém , H-8201 , Veszprém , PO Box 158, Hungary;2. Department of Physics , University of Veszprém , H-8201 , Veszprém , PO Box 158, Hungary |
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| Abstract: | A systematic Monte Carlo (MC) simulation and perturbation theory (PT) study is reported for the dielectric constant of the polarizable Stockmayer fluid. Our MC simulations apply the ‘pair approximation for polarization interaction’ procedure suggested by P?edota et al. The theoretical approach is based on our newly introduced equation (Valiskó et al., 2002, Molec. Phys., 100, 559) which is a density expansion for the dielectric constant using Wertheim's renormalized PT method. The agreement between our MC and PT results is excellent for low to moderate dipole moments and polarizabilities. At stronger dipolar interactions ergodicity problems and anisotropic behaviour appear where simulation results become uncertain and the theoretical approach becomes invalid. |
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