화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.409, 113-118, 2016
Studying structural properties of rubidium and cesium liquid metals using an effective hard-core Yukawa potential
theory with an effective hard-core Yukawa potential to the static structure factor for the rubidium and cesium liquid metals. Based upon the perturbation theory, we assume that the core contribution of the direct correlation function is related to the geometric effects via a linear form for a hard-sphere fluid, in which the molecular diameter is obtained at any temperature and, its tail contribution is related to the long-range intermolecular interactions of the system via a linear form. We use the long-range Yukawa potential in the modeling of liquid alkali metals (LAMs) with the decay parameter lambda = 1.8 and a well depth potential that is state-dependent. The linear isotherm regularity (LIR) equation of state (EOS) is applied to obtain the long-range interactions. The results obtained show that the proposed approach for LAMs can predict the behavior of the structure factor, S(k), at a wide range of k values with a good accuracy, as compared to the experimental data, over the whole liquid states. The interaction model used is also successful in the presentation of the Ornstein-Zernike (OZ) behavior of S(k) at the low-k region including the S(0) values. (c) 2015 Elsevier B.V. All rights reserved.