Dimerization of argon and the properties of its small clusters
| Autor: | S. V. Titov, S. A. Serov, G. M. Ostrovskii |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Argon
010304 chemical physics Cluster state Monte Carlo method chemistry.chemical_element 010402 general chemistry 01 natural sciences 0104 chemical sciences chemistry Lennard-Jones potential Phase space 0103 physical sciences Bound state Cluster (physics) Molecule Physical and Theoretical Chemistry Atomic physics |
| Zdroj: | Russian Journal of Physical Chemistry A. 90:2495-2498 |
| ISSN: | 1531-863X 0036-0244 |
| DOI: | 10.1134/s003602441612030x |
| Popis: | Statistical thermodynamic means are used to study the bound state of a small cluster AN (2 ≤ N ≤ 5) of Lennard-Jones particles in a spherical cavity. The statistical sum is calculated by the Monte Carlo method. For the dimer, integration is reduced to quadratures. The integration region contains only phase space points corresponding to the bound cluster state. Dimerization constant 2A = A2 is calculated via the probability of finding a molecule in the bound state using the example of argon. |
| Databáze: | OpenAIRE |
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