Effect of pressure on the internal energy of Lennard-Jones mixtures
β Scribed by Koichiro Nakanishi
- Publisher
- Elsevier Science
- Year
- 1986
- Weight
- 155 KB
- Volume
- 139-140
- Category
- Article
- ISSN
- 0378-4363
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π SIMILAR VOLUMES
A method for the cticulation of thermcdynamic functions of binary mixtures from Monte Carlo data is outlined. Values obtained for the excess free energy, volume and enthalpy for a range of binary Lennard-Jones (12-6) Iiquids are compared with the predictions of three versions of the APM-theory.
The classical and quantum-mechanical free energies of crystalline (fee) argon were determined at two state points by classical and path integral Monte Carlo methods. The quantum corrections to the free energy, energy and pressure so obtained are compared with corrections based on the harmonic approx