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Page 20
Journal of Organic & Inorganic Chemistry
ISSN 2472-1123
2
n d
E d i t i o n o f E u r o S c i C o n C o n f e r e n c e o n
Chemistry
F e b r u a r y 1 9 - 2 0 , 2 0 1 9
P r a g u e , C z e c h R e p u b l i c
Chemistry 2019
T
ransport coefficients and dissociation rate constants of positive rare gas
ions are needed input data in chemical electro-hydrodynamic plasma
models for a better understanding and optimization of plasma reactors used
in applications such as biomedicine or spacecraft. A dynamical hybrid method
has been used to calculate momentum transfer for the non-dissociative ion
scattering and collision induced dissociation. The hybrid method uses a
classical formalism for nuclei and quantum treatment for electrons where the
electronic Hamiltonian is calculated
via
a diatomics-in-molecules (DIM) semi-
empirical model. Effects of dimer rare gas ion rovibronic excitations are also
included in the hybrid dynamical method to improve the agreement between
calculated and experimental dimer ion mobility. Moreover, for comparison,
momentum-transfer cross-sections have also been derived from an inverse
method (based on JWKB approximation and an empirical potential) which fits
experimental data available on a limited reduced field range and extends it to
a wider range. These collision cross-sections are then used in an optimized
Monte Carlo code that simulates the ion trajectory to calculate transport
coefficients (mobility and diffusion) and dissociation rate constant of He
2+
,
Ne
2+
, Ar
2+
, Kr
2+
and Xe
2+
dimer ions in collision with their parent gas over a wide
range of reduced field.
Biography
Benhenni Malika has obtained her PhD in 1990 from University
of North Carolina at Chapel Hill, USA, in Atomic Physics and
concerns the electron capture and excitation processes by
Auger electron spectroscopy for hot plasma applications. She
was a Research Assistant in 1991 in Laboratoire Grenoblois
des Ions, Plasmas et Physique Atomique. She is an Associate
Professor at University of Toulouse III-Paul Sabatier in France.
Her current research is carried out in Laboratoire Plasmas et
Conversion d’Énergie and focuses on modelling of basic data
for cold plasma applications such as biomedicine, flue gas
pollution control, etc. She is Referee in several international
journals.
benhenni@laplace.univ-tlse.frCross-sections, transport coefficients and dissociation
rate constants of rare gas dimer ions in collision with their
parent gas for cold plasma modelling
Benhenni Malika
1
and R Kalus
2
1
Université de Toulouse III Paul Sabatier, France
2
IT4 Innovations, VSB-Technical University of Ostrava, Czech Republic
Benhenni Malika et al., J Org Inorg Chem 2019, Volume: 5
DOI: 10.21767/2472-1123-C1-020