Non-adiabatic dynamics in collisions of sodium and chlorine atoms and their ions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F22%3A10453208" target="_blank" >RIV/00216208:11320/22:10453208 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Y76el2MFP6" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Y76el2MFP6</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d2cp03361e" target="_blank" >10.1039/d2cp03361e</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Non-adiabatic dynamics in collisions of sodium and chlorine atoms and their ions

Popis výsledku v původním jazyce

Collisions of sodium and chlorine atoms and of their ions are studied within the diabatic two-state picture at energies below and above the ionic threshold with focus on the processes of radiative association, chemiionisation, and mutual neutralisation. The radiative-association cross sections as functions of collision energy are calculated up to 4.6 eV in the case of neutral atoms and up to 3.12 eV in the case of ions. The non-radiative charge-exchange cross sections as functions of collision energy are calculated up to 12 eV for chemiionisation and up to 10.52 eV for mutual neutralisation. The corresponding radiative-association rate coefficients are then determined up to 5300 K for the radiative association of neutral atoms and non-radiative charge-exchange and up to 3615 K for the radiative association of ions. Contribution of many Fano-Feshbach-type resonances is included to the rate coefficient of neutral-atom radiative association. The chemiionisation rate coefficients were calculated from 1000 K to 5300 K. The process of mutual neutralisation exhibits the largest cross sections and also the largest rate coefficients with values around 10(-9) cm(3) s(-1) at all calculated temperatures, 120-5300 K.

Název v anglickém jazyce

Non-adiabatic dynamics in collisions of sodium and chlorine atoms and their ions

Popis výsledku anglicky

Collisions of sodium and chlorine atoms and of their ions are studied within the diabatic two-state picture at energies below and above the ionic threshold with focus on the processes of radiative association, chemiionisation, and mutual neutralisation. The radiative-association cross sections as functions of collision energy are calculated up to 4.6 eV in the case of neutral atoms and up to 3.12 eV in the case of ions. The non-radiative charge-exchange cross sections as functions of collision energy are calculated up to 12 eV for chemiionisation and up to 10.52 eV for mutual neutralisation. The corresponding radiative-association rate coefficients are then determined up to 5300 K for the radiative association of neutral atoms and non-radiative charge-exchange and up to 3615 K for the radiative association of ions. Contribution of many Fano-Feshbach-type resonances is included to the rate coefficient of neutral-atom radiative association. The chemiionisation rate coefficients were calculated from 1000 K to 5300 K. The process of mutual neutralisation exhibits the largest cross sections and also the largest rate coefficients with values around 10(-9) cm(3) s(-1) at all calculated temperatures, 120-5300 K.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Svazek periodika

24

Číslo periodika v rámci svazku

41

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

25250-25257

Kód UT WoS článku

000866002500001

EID výsledku v databázi Scopus

2-s2.0-85140833548