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Multiscale multiphysics nonempirical approach to calculation of light emission properties of chemically active nonequilibrium plasma: application to Ar-GaI3 systemстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Adamson S., Astapenko V., Chernysheva I., Chorkov V., Deminsky M., Demchenko G., Demura A., Demyanov A., Dyatko N., Eletzkii A., Knizhnik A., Kochetov I., Napartovich A., Rykova E., Sukhanov L., Umanskii S., Vetchinkin A., Zaitsevskii A., Potapkin B.
- Журнал: Journal of Physics D - Applied Physics
- Том: 40
- Номер: 13
- Год издания: 2007
- Издательство: IOP Publishing
- Местоположение издательства: [Bristol, UK], England
- Первая страница: 3857
- Последняя страница: 3881
- DOI: 10.1088/0022-3727/40/13/S06
- Аннотация: Present-day computational techniques provide a possibility of evaluating properties of macrosystems using ab initio quantum chemistry and theories of elementary processes. Physical and chemical phenomena on very different timescales have to be taken into account (excitation, emission, chemical reactions, diffusion) at different levels of refining. This refining covers a very wide region of parameters starting from the structure of species up to the macro chemical mechanism of their conversion. This multilevel approach is described in detail in the paper and includes interaction and data transfer between different levels of phenomena description. In the framework of the approach, unknown properties of molecules, ions and atoms (structure, potential energy curves, transition dipole moments) are calculated based on quantum-chemical methods. The calculation results are used to evaluate rate characteristics of physical and chemical processes. The developed kinetic state-to-state scheme is then used to calculate the macro properties of the system under investigation. As an example of the multilevel approach, the emission properties of the Ar-GaI3 positive column discharge plasma were calculated using the Chemical Work Bench computational environment. The calculations yield the electron energy balance and emission efficiency as functions of plasma parameters.
- Добавил в систему: Адамсон Сергей Олегович