COMPUTER ALGEBRA REEXAMINATION OF THE SCALED PARTICLE THEORY FOR HARD-SPHERE AND LENNARD-JONES FLUIDS

DOI10.1142/S0217984908016856MaRDI QIDQ3597441zbMATH OpenFDO

Authors S. B. Khasare

Publication date 9 February 2009

Published in Modern Physics Letters B (Search for Journal in Brave)

zbMATH Keywords

computer algebracomputer simulationequation of statehard-sphere potentialLennard-Jones potential

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Critical phenomena in equilibrium statistical mechanics (82B27) Statistical mechanics of liquids (82D15)

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(4)

• Van der Waals type equation of state for Lennard-Jones fluid and the fluctuation of the potential energy by molecular dynamics simulations
• Analytic equation of state for the exponential-six fluids based on the Ross variational perturbation theory
• Statistical mechanics of hard spheres: Application of the improved scaled particle theory to the hard sphere crystal
• A general algorithm using Mathematica 2.0 for calculting dlvo potential interactions and stability ratios in spherical colloidal particle systems

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