Stimulated radiative association of sodium and chlorine atoms and their ions in a coupled channel treatment

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10490229" target="_blank" >RIV/00216208:11320/24:10490229 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=e9j2fSEI6w" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=e9j2fSEI6w</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d3cp05602c" target="_blank" >10.1039/d3cp05602c</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stimulated radiative association of sodium and chlorine atoms and their ions in a coupled channel treatment

Popis výsledku v původním jazyce

In an extension of previous work (Simsova et al., Phys. Chem. Chem. Phys., 2022, 24, 25250), we study stimulated radiative association of sodium chloride (NaCl) in an environment with a black body radiation. Colliding neutral (Na and Cl) and ionic (Na+ and Cl-) fragments are considered. The coupling between the diabatic ionic and neutral channels is accounted for. The cross sections are computed and resolved on the vibrational states of the formed NaCl molecule for detailed analysis. The thermal rate coefficients for neutral colliding fragments at kinetic temperatures, T, from 1 K to 5300 K are computed for use in astrochemical modelling. The total rate coefficient is affected by more than one order of magnitude by stimulated emission from a blackbody radiator of temperature Tb = 50 000 K. The effect from stimulated emission is largest for the lowest kinetic temperatures, where Tb of a few thousand kelvins has a significant effect. The rate coefficient for the colliding ionic fragments is calculated from 80 K to 3615 K. The blackbody radiation has little effect on this process. Formation of NaCl by radiative association is studied by non-adiabatic dynamics at background temperatures ranging up to 50 000 K.

Název v anglickém jazyce

Stimulated radiative association of sodium and chlorine atoms and their ions in a coupled channel treatment

Popis výsledku anglicky

In an extension of previous work (Simsova et al., Phys. Chem. Chem. Phys., 2022, 24, 25250), we study stimulated radiative association of sodium chloride (NaCl) in an environment with a black body radiation. Colliding neutral (Na and Cl) and ionic (Na+ and Cl-) fragments are considered. The coupling between the diabatic ionic and neutral channels is accounted for. The cross sections are computed and resolved on the vibrational states of the formed NaCl molecule for detailed analysis. The thermal rate coefficients for neutral colliding fragments at kinetic temperatures, T, from 1 K to 5300 K are computed for use in astrochemical modelling. The total rate coefficient is affected by more than one order of magnitude by stimulated emission from a blackbody radiator of temperature Tb = 50 000 K. The effect from stimulated emission is largest for the lowest kinetic temperatures, where Tb of a few thousand kelvins has a significant effect. The rate coefficient for the colliding ionic fragments is calculated from 80 K to 3615 K. The blackbody radiation has little effect on this process. Formation of NaCl by radiative association is studied by non-adiabatic dynamics at background temperatures ranging up to 50 000 K.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

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

26

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

3342-3349

Kód UT WoS článku

001139341600001

EID výsledku v databázi Scopus

2-s2.0-85182352165