Effective Intermolecular Interaction Potentials of Gaseous Fluorine, Chlorine, Bromine, and Iodine

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• 作者：M. Damyanova ; L. Zarkova and U. Hohm
• 关键词：Gases ; Halogens ; Lennard ; Jones temperature ; dependent potential ; Thermophysical properties ; Virial coefficients ; Viscosity
• 刊名：International Journal of Thermophysics
• 出版时间：August, 2009
• 出版年：2009
• 期刊代码：33_0195928X
• 类别：ch
• 卷：30
• 期：4
• 页码：1165-1178
• 数据来源：sp

摘要

Results are presented for binary intermolecular interactions and thermophysical properties in the temperature range between 70K and 1,000K of gaseous fluorine (F₂), and between 200K and 1,000K of chlorine (Cl₂), bromine (Br₂), and iodine (I₂). Our studies are carried out with an (n − 6) Lennard-Jones temperature-dependent potential (LJTDP). The underlying model takes into account the influence of vibrational excitations on the equilibrium distance R _m(T) and potential well depth e(T){\varepsilon(T)} . The potential parameters at T = 0K have been obtained by minimization of the sum of squared deviations between experimentally determined and calculated second pVT- and acoustic virial coefficients, B and β, and viscosities η, normalized to their relative experimental error a _exp. The majority of the available experimental data are well reproduced within their experimental errors. Tables and fitting formulae for a fast and reliable prediction of the thermophysical properties and potential parameters are also presented.