| Autor: |
Shaw, M. S. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 6/1/1991, Vol. 94 Issue 11, p7550, 4p |
| Abstrakt: |
A new Monte Carlo simulation method is introduced which gives the equilibrium chemical composition of a molecular fluid directly. The usual NPT ensemble (isothermal–isobaric)is implemented with N being the number of atoms instead of molecules. Changes in chemical composition are treated as correlated spatial moves of atoms. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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