First principles transport coefficients and reaction rates of Ar2+ ions in argon for cold plasma jet modeling

Kód výsledku v IS VaVaI

RIV/61989100:27240/14:86092150 - isvavai.cz

Nalezeny alternativní kódy

RIV/61989100:27740/14:86092150

Výsledek na webu

http://scitation.aip.org/content/aip/journal/jcp/141/13/10.1063/1.4896613

DOI - Digital Object Identifier

10.1063/1.4896613

Jazyk výsledku

angličtina

Název v původním jazyce

First principles transport coefficients and reaction rates of Ar2+ ions in argon for cold plasma jet modeling

Popis výsledku v původním jazyce

Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core potential. The collision cross-sections are then used in an optimized Monte Carlo code for evaluations of the Ar2+ mobility in argon gas, longitudinal diffusion coefficient, and collision-induced dissociation rates. A thorough comparison of various theoretical calculations as well as with available experimental data on the Ar2+ mobility and collision cross-sections is performed. Good agreement is found between both theoretical approaches and the experiment. Analysis of the role of inelastic processes in Ar2+/Ar collisions is also provided.

Název v anglickém jazyce

First principles transport coefficients and reaction rates of Ar2+ ions in argon for cold plasma jet modeling

Popis výsledku anglicky

Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core potential. The collision cross-sections are then used in an optimized Monte Carlo code for evaluations of the Ar2+ mobility in argon gas, longitudinal diffusion coefficient, and collision-induced dissociation rates. A thorough comparison of various theoretical calculations as well as with available experimental data on the Ar2+ mobility and collision cross-sections is performed. Good agreement is found between both theoretical approaches and the experiment. Analysis of the role of inelastic processes in Ar2+/Ar collisions is also provided.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BL - Fyzika plasmatu a výboje v plynech

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Svazek periodika

141

Číslo periodika v rámci svazku

13

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

"134302.1"-"134302.14"

Kód UT WoS článku

000343872800028

EID výsledku v databázi Scopus

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