Perfluorinated n-alkanes CmF2m+2 (m < 7): Second pVT-virial coefficients, viscosities, and diffusion coefficients calculated by means of an (n-6) Lennard-Jones temperature-dependent potential

摘要

The perfluorinated n-alkanes CmF2m+2 (m = 1 to 6) are widely used and expensive substances that are not only of technological interest for the semiconductor industry but also powerful greenhouse gases having an important impact on the atmosphere. This paper presents tables with recommended thermophysical data in the temperature range (200 to 1000) K at pressures of : <= 0.1 MPa. Second pVT-virial coefficients B, viscosities eta and diffusion coefficients D are calculated by means of an (n-6) Lennard-Jones temperature-dependent potential. The potential parameters, equilibrium distance, and potential well depth are defined as functions of the temperature T by solving an ill-posed problem of minimization of the squared deviations between measured and calculated B, eta, and D, normalized to their experimental error. Tables with potential parameters as well as algorithms for calculation of the potential-dependent properties are given. New tables of the harmonic vibrational frequencies of n-C4F10, n-C5F12, and n-C6F14, which are required as input parameters in the course of the calculations, are also presented.