PRELIMINARY COMMUNICATION - DIELECTRIC-CONSTANT OF A STOCKMAYER FLUID ALONG THE VAPOR-LIQUID COEXISTENCE CURVE

被引:23
作者
BODA, D
LISZI, J
SZALAI, I
机构
[1] Department of Physical Chemistry, University of Veszprém, Veszprem, H-8201
关键词
D O I
10.1080/00268979500101221
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have proposed an extension of the NpT plus test particle method (Boda, D., Liszi, J., and Szalai, I., 1995, Chem. Phys. Lett., 235, 140). Here, it is applied to determine the vapour-liquid equilibrium of a Stockmayer fluid with reduced dipole moment mu*(2) = mu(2)/epsilon sigma(3) = 1.0. On the basis of this method a procedure is also suggested to calculate the dielectric constant along the coexistence curve. Our phase equilibrium results show good agreement with Gibbs ensemble simulation and perturbation theory data. The predicted dielectric constants are also given along the coexistence curve.
引用
收藏
页码:429 / 434
页数:6
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