REMC Computer Simulation of the Thermodynamic Properties of Argon and Air Plasmas

0166546 - UCHP-M 20020235 RIV GB eng J - Článek v odborném periodiku
Lísal, Martin - Smith, W. R. - Bureš, M. - Vacek, V. - Navrátil, J.
REMC Computer Simulation of the Thermodynamic Properties of Argon and Air Plasmas.
Molecular Physics. Roč. 100, č. 15 (2002), s. 2487-2497. ISSN 0026-8976. E-ISSN 1362-3028
Grant CEP: GA ČR GA203/98/1446; GA ČR GA203/02/0805
Grant ostatní: NSERC(CA) OGP1041
Klíčová slova: computer simulation * plasma * thermodynamic properties
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.617, rok: 2002

The reaction ensemble Monte Carlo (REMC) computer simulation method (Smith, W. R., and Triska, B., 1994, J. Chem. Phys., 100, 3019) is employed to calculate reaction equilibrium in multi-reaction systems using a molecular based system model. The compositions and thermodynamic properties of argon plasmas (7 reactions) and air plasmas (26 reactions) are studied using a molecular level model based on the underlying atomic and ionic interactions. In the context of the specifed molecular model, the REMC approach gives an essentially exact description of the system thermodynamics. Calculations are made of plasma compositions, molar enthalpies, molar volumes, molar heat capacities, and coeffcients of cubic expansion over a range of temperatures up to 100 000K at a pressure of 10 bar, and the results are compared with those obtained using the macroscopic level ideal-gas and Debye-Hueckel approximations.
Trvalý link: http://hdl.handle.net/11104/0063666