title: First principles transport coefficients and reaction rates of Ar2(+) ions in argon for cold plasma jet modeling.
abstract: 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 Ar 2 (+) 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 Ar 2 (+) 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 Ar 2 (+)/Ar collisions is also provided.
authors.affiliation: Laboratoire Plasma et Conversion d'Energie, LAPLACE and UMR5213 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex, France.
authors.forename: Alexandre
authors.initials: A
authors.lastname: Chicheportiche
authors.affiliation: Center of Excellence IT4Innovations and Department of Applied Mathematics, VSB - Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic.
authors.forename: Martin
authors.initials: M
authors.lastname: Stachoň
authors.affiliation: Laboratoire Plasma et Conversion d'Energie, LAPLACE and UMR5213 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex, France.
authors.forename: Malika
authors.initials: M
authors.lastname: Benhenni
authors.affiliation: Laboratoire de Chimie et de Physique Quantiques, IRSAMC and UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex, France.
authors.forename: Florent Xavier
authors.initials: FX
authors.lastname: Gadéa
authors.affiliation: Center of Excellence IT4Innovations and Department of Applied Mathematics, VSB - Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic.
authors.forename: René
authors.initials: R
authors.lastname: Kalus
authors.affiliation: Laboratoire Plasma et Conversion d'Energie, LAPLACE and UMR5213 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex, France.
authors.forename: Mohammed
authors.initials: M
authors.lastname: Yousfi
mesh_terms: D001128:Argon / Q000737:chemistry*; D002413:Cations, Divalent / Q000737:chemistry; D004058:Diffusion; D009010:Monte Carlo Method; D009038:Motion; D058626:Plasma Gases / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D002413:Cations, Divalent; D058626:Plasma Gases; D001128:Argon