Applications to nonspherical molecules

Article Abstract:

Research was conducted to examine the application of a theory that characterizes effective two-body interactions in gases by molecular sizes and energies plus effective measures of the nonconformality between the exact potential and a spherical reference. The applicability of the theory was tested in several nonspherical models, namely, square-well chains, Stockmayer molecules, spherocylinders, ellipsoids and Lennard-Jones polyatomics. Results indicate that their virial coefficients are accurately accounted for by the theory.

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Pure noble gases and their mixtures

Article Abstract:

A study applied the new, approximate non-conformal (ANC) theory to real substances, namely, the noble or rare gases and their binary mixtures and reports the initial results obtained. The ANC theory seeks to explain the non-conformality of intermolecular potentials to accurately determine the thermodynamic properties of simple and molecular fluids. It was found that for Ne, Ar, Kr and Xe, the ANC theory provides very accurate pair potentials. Other experimental findings and conclusions are discussed.

Models, Analysis, Usage, Mathematical models, Chemistry, Physical and theoretical, Physical chemistry, Noble gases, Gases, Rare, Harmonic analysis, Harmonic analysis (Mathematics), Differential equations, Partial, Partial differential equations

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Theory

Article Abstract:

Research was conducted to examine the influence of the form of the interaction potential on the thermodynamic properties of fluids. Simple relationships between virial coefficients and collision diameters for a wide class of pairs of nonconformal potentials were derived from first principles. The theory can be applied to determine the explicit form of the pair potential by inversion of known B(T) data including the interaction parameters.

Thermal properties

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