Calculation of thermodynamic properties from a parametric integral equation

DOI10.1016/0378-4371(89)90132-5MaRDI QIDQ1111830zbMATH OpenOpenAlexFDO

Authors C. J. Peters, R. N. Lichtenthaler

Publication date 1989

Published in Physica A (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0378-4371(89)90132-5

zbMATH Keywords

intermolecular interactionLennard- Jonespair-potentialparametric integral equationthermodynamic behaviour of fluids

Mathematics Subject Classification ID

Foundations of fluid mechanics (76A02) Kinetic theory of gases in equilibrium statistical mechanics (82B40)

Review text

The primary objective of the underlying investigation is to obtain more insight in the thermodynamic behaviour of fluids. For that purpose a large number of radial distribution functions as a function of temperature and density have been calculated from a parametric integral equation using the Lennard-Jones (12,6) pair-potential for the intermolecular interaction. The collection of radial distribution functions obtained has been used to derive all major thermodynamic properties of a fluid. In a subsequent paper this information will be applied to study the thermodynamic behaviour of fluids.

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Cites work

• An Algorithm for the Machine Calculation of Complex Fourier Series
• scientific article; zbMATH DE number 3247704 (Why is no real title available?)
• scientific article; zbMATH DE number 3284255 (Why is no real title available?)
• New method for the calculation of the pair correlation function. I
• Numerical Fourier transforms in one, two, and three dimensions for liquid state calculations

Cited in

(3)

• scientific article; zbMATH DE number 1225334 (Why is no real title available?)
• scientific article; zbMATH DE number 2142983 (Why is no real title available?)
• A method for the accurate and smooth approximation of standard thermodynamic functions

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