Modeling chemical reactions in laser-induced plasmas at local thermodynamic equilibrium

  • Laser induced plasma (LIP) is a dynamic, short living event which presents significant difficulty for modeling. In this report, a collisional-dominated chemical model developed earlier* is expanded by the inclusion of a new method for calculation of chemical reactions. The model consists of the coupled Navier-Stokes, state, radiative transfer, material transport, and chemical equations. The latter are written in terms of atomic and molecular partition functions rather than reaction rates. Typically, a solution of such the system of chemical equations is difficult for the entire range of plasma temperatures and densities because reaction constants may vary by hundreds orders of magnitude owing to extreme plasma conditions. No numerical solver of non-linear systems of equations handles this situation with ease. We resolve the problem by using a hierarchical approach. First, we rank the reactions according to their ascendancy. Second, we exploit either the contraction or Newton-RaphsonLaser induced plasma (LIP) is a dynamic, short living event which presents significant difficulty for modeling. In this report, a collisional-dominated chemical model developed earlier* is expanded by the inclusion of a new method for calculation of chemical reactions. The model consists of the coupled Navier-Stokes, state, radiative transfer, material transport, and chemical equations. The latter are written in terms of atomic and molecular partition functions rather than reaction rates. Typically, a solution of such the system of chemical equations is difficult for the entire range of plasma temperatures and densities because reaction constants may vary by hundreds orders of magnitude owing to extreme plasma conditions. No numerical solver of non-linear systems of equations handles this situation with ease. We resolve the problem by using a hierarchical approach. First, we rank the reactions according to their ascendancy. Second, we exploit either the contraction or Newton-Raphson algorithms to solve the system of chemical equations. We illustrate the approach by performing a series of calculations for reacting species Si, C, N, Ca, Cl and their molecules in laser induced plasmas.zeige mehrzeige weniger

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Metadaten
Autor*innen:Igor B. GornushkinORCiD
Koautor*innen:Sergej V. Shabanov
Dokumenttyp:Vortrag
Veröffentlichungsform:Präsentation
Sprache:Englisch
Jahr der Erstveröffentlichung:2018
Organisationseinheit der BAM:1 Analytische Chemie; Referenzmaterialien
1 Analytische Chemie; Referenzmaterialien / 1.9 Chemische und optische Sensorik
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Freie Schlagwörter:Plasma diagnostics; Plasma physics
Themenfelder/Aktivitätsfelder der BAM:Chemie und Prozesstechnik
Veranstaltung:Winter Plasma Conference
Veranstaltungsort:Amelia Island, FL, USA
Beginndatum der Veranstaltung:08.01.2018
Enddatum der Veranstaltung:13.01.2018
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:19.03.2018
Referierte Publikation:Nein
Eingeladener Vortrag:Nein
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