๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Monte Carlo calculations of the thermodynamic properties of mixtures of Lennard-Jones liquids

โœ Scribed by K. Singer


Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
249 KB
Volume
3
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis


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.


๐Ÿ“œ SIMILAR VOLUMES


Freezing of the Lennard-Jones liquid
โœ C. Marshall; B.B. Laird; A.D.J. Haymet ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 286 KB

## Solid-liquid coexistence in the Lennard-Jones syswm is examined using the densily runclional theory of freezing. Gd agreement is round with the results of cornpurer simulations and real experiments on argon.

Monte Carlo calculations of thermodynami
โœ C Bichara; C Bergman; J.-C Mathieu ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science โš– 609 KB

## Monte Carlo calculations arc carried out to give exact values of some thermodynamic properties of alloys. The calculations are performed within the framework of the surrounded atom model the main assumptions of which are: quasilattice structure of the alloy, nearest neighbour interactions, desc

Calculation of elastic constants of nema
โœ D.A. Dunmur; W.H. Miller ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 459 KB

Rclauve values for the torslonal elastwz constants of a model hquld crys~sl have been calculated usmg the quxwcontmuurn method of Nehrmg and Saupe. An amsolropic Lcnnard-Jones intermolecular potcnkd 1~1s been assumed The contra-butIons of 3ttr;lcWe and repulsive forces arc evaluated sepantcly. and t

Triple-point coexistence properties of t
โœ A.J.C. Ladd; L.V. Woodcock ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 461 KB

A molecular dynamics simulation of the three phases of the Lennard-Jones (12-6) system in coexistence is reported. The triple-point properties of a 1500-atom model are obtained and found to compare moderately well with the values obtained from bulk-phase Monte Carlo data by Hansen and Verlet. The de