Chemistry in laser‑induced plasmas at local thermodynamic equilibrium
- The equation of state for plasmas containing negative and positive ions of elements and molecules formed by these elements is modeled under the assumption that all ionization processes and chemical reactions are at local thermal equilibrium and the Coulomb interaction in the plasma is described by the Debye–Hückel theory. The hierarchy problem for constants of molecular reactions is resolved by using three different algorithms for high, medium, and low temperatures: the contraction principle, the Newton–Raphson method, and a scaled Newton–Raphson method, respectively. These algorithms are shown to have overlapping temperature ranges in which they are stable. The latter allows one to use the developed method for calculating the equation of state in combination with numerical solvers of Navier–Stokes equations to simulate laser-induced Plasmas initiated in an atmosphere and to study formation of molecules and their ions in such plasmas. The method is applicable to a general chemicalThe equation of state for plasmas containing negative and positive ions of elements and molecules formed by these elements is modeled under the assumption that all ionization processes and chemical reactions are at local thermal equilibrium and the Coulomb interaction in the plasma is described by the Debye–Hückel theory. The hierarchy problem for constants of molecular reactions is resolved by using three different algorithms for high, medium, and low temperatures: the contraction principle, the Newton–Raphson method, and a scaled Newton–Raphson method, respectively. These algorithms are shown to have overlapping temperature ranges in which they are stable. The latter allows one to use the developed method for calculating the equation of state in combination with numerical solvers of Navier–Stokes equations to simulate laser-induced Plasmas initiated in an atmosphere and to study formation of molecules and their ions in such plasmas. The method is applicable to a general chemical network. It is illustrated with examples of Ca–Cl and C–Si–N laser-induced plasmas.…
Autor*innen: | Igor B. GornushkinORCiD, Sergej V. Shabanov |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Applied physics A |
Jahr der Erstveröffentlichung: | 2018 |
Organisationseinheit der BAM: | 1 Analytische Chemie; Referenzmaterialien |
1 Analytische Chemie; Referenzmaterialien / 1.9 Chemische und optische Sensorik | |
Verlag: | Springer |
Jahrgang/Band: | 124 |
Ausgabe/Heft: | 10 |
Erste Seite: | 716, 1 |
Letzte Seite: | 21 |
DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
Freie Schlagwörter: | LIBS; Plasma modeling Plasma |
Themenfelder/Aktivitätsfelder der BAM: | Chemie und Prozesstechnik |
Chemie und Prozesstechnik / Chemische Charakterisierung und Spurenanalytik | |
DOI: | 10.1007/s00339-018-2129-9 |
ISSN: | 1432-0630 |
ISSN: | 0947-8396 |
Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
Datum der Freischaltung: | 02.10.2018 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 15.10.2018 |