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Thermophysical Properties of Alkali Metal Vapours, Part I — Theoretical Calculation of the Properties of Monatomic Systems

1990; Volume: 94; Issue: 1 Linguagem: Inglês

10.1002/bbpc.19900940111

0005-9021

C. A. De Nieto Castro, João M. N. A. Fareleira, Pedro M. Matias, M. L. V. Ramires, Alberto A. C. C. Pais, A. J. C. Varandas,

Chemical Thermodynamics and Molecular Structure

Abstract Theoretical calculations of the second virial coefficients, self‐diffusion, viscosity and thermal conductivity of monatomic alkali metal vapours, lithium, sodium, potassium, cesium and rubidium are presented. The calculations have been carried out using reliable analytical two body interaction potential energy functions for the ground singlet 1 Σ + g and the excited triplet 3 Σ + g molecular states of the alkali dimers. The results are compared with previously calculated values. — The interpretation of experimental data on the thermophysical properties of alkali metal vapours is complicated by the formation of dimers. It follows that theoretical calculations for the monatomic species should thus provide an independent information on the zero density limits for the experimental properties. Full utilization of this principle is tried in Part II of this paper where an assessment of the available experimental data is attempted.