Monte Carlo study of the thermodynamic and structural properties of thiol/propane mixtures
โ Scribed by Eric P. Wallis
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 708 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0378-3812
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๐ 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.
Rcreivcd 7-h May 19%; in final form 18 July 19S3 The thcrmod? namic properties and site-site distribution functions of mixtures of non-spherical molecules are obtaincd by Vontc Carlo simulation. A non-spheriwl rcfcrcncc-system perturbation theory based on the RIShI equation is developed to predict t
The thermodynamic and structural properties for mixtures of the type (A+ -B+)F-and (A+ -Mz+)F-are discussed, where A+ and B+ are alkali metal ions and MB+ is a divalent or a trivalent metal ion. The discussion is based on the partial molar excess free energy AG,' calculated from the observed freezin