- Tytuł:
- Microscopic simulations of non-equilibrium chemical systems
- Autorzy:
-
Górecki, J.
Górecka, J. N. - Powiązania:
- https://bibliotekanauki.pl/articles/1965854.pdf
- Data publikacji:
- 2001
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
molecular dynamics
reactive hard spheres
rate constant
chemical wave front - Opis:
- In this paper we discuss applications of molecular dynamics in modeling of nonequilibrium effects in chemical systems. We focus our attention on simulations, which use the "reactive" hard spheres technique. It is demonstrated that information on nonequilibrium rate constant in a system with a thermally activated reaction can be easily obtained from such simulations. We also present results for a wavefront propagation in a system with an autocatalitic reaction: A + B --> A + A.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2001, 5, 3; 341-353
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł