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DOI: 10.1039/A905777C (Paper) Reference Section for: Phys. Chem. Chem. Phys., 1999, 1, 4937-4945

Accurate effective potentials and virial coefficients in real fluids Part II. Pure homodiatomics and their mixtures

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Fernando del Río, J. Eloy Ramos and Ian A. McLure

Abstract

The approximate nonconformal (ANC) theory recently proposed has been very successful in determining interaction potentials for the noble gases and their mixtures. The ANC theory is used here to obtain effective angle averaged potentials of all homodiatomic gases for which experimental second virial coefficient data are available: H2, D2, N2, O2, F2 and Cl2. The cross virial coefficients in the mixtures of homodiatomics among themselves and with noble gases are predicted with excellent agreement with experiment for the heavier classical gases. The atom–atom interactions, which should be an improvement over previous results, are also determined and shown to behave regularly with atomic number. The critical temperatures and volumes of these gases vary smoothly when scaled with the parameters of the ANC potential.

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