Cross-sections, transport coefficients and dissociation rate constants for Kr-2(+) molecular ion interacting with Kr

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27240%2F19%3A10242236" target="_blank" >RIV/61989100:27240/19:10242236 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/19:10242236
Result on the web
<a href="https://iopscience.iop.org/article/10.1088/1361-6595/aaebe0" target="_blank" >https://iopscience.iop.org/article/10.1088/1361-6595/aaebe0</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/1361-6595/aaebe0" target="_blank" >10.1088/1361-6595/aaebe0</a>

Result language
angličtina
Original language name
Cross-sections, transport coefficients and dissociation rate constants for Kr-2(+) molecular ion interacting with Kr
Original language description
A hybrid method based on quantum mechanical formalism for electrons and a classical treatment for nuclei was used to study the dynamics of electronically ground state krypton dimer in collision with its parent gas. Two sets of collision cross-sections, namely non-reactive scattering and collision induced dissociation, were calculated from this method by using different sets of atom-atom interaction potentials (neutral-neutral, ion-neutral). These cross-sections were injected in Monte Carlo simulations for the determination of Kr-2(+) mobility, diffusion and dissociation rate constant. It is noteworthy that we also used an inverse method based on JWKB approximation to calculate a global momentum transfer collision cross-section without discerning the inelastic processes as dissociation. Thus, the transport coefficients obtained are also in a pretty good agreement with experimental data. All Monte Carlo simulations were performed at ambient pressure and temperature over a broad range of reduced electric field. Moreover, effects of Kr-2(+) rovibronic excitations were also studied thoroughly in order to improve correlation between theoretical mobility calculations and experimental data available in the literature.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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