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Extension of ion-neutral reactive collision model DNT+ to polar molecules based on average dipole orientation theory.
- Source :
- Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films; Sep2024, Vol. 42 Issue 5, p1-8, 8p
- Publication Year :
- 2024
-
Abstract
- The ion-neutral reactive collision model DNT+, which generates comprehensive ion-neutral collision cross section (CS) data sets for atoms and nonpolar molecules, has been extended to polar molecules. The extension is based on the average dipole orientation (ADO) theory, which adds the dipole moment to Langevin–Hassé CS. Furthermore, the ADO CS for short-range reactive collisions is covered with a rigid core to incorporate long-range elastic and charge-exchange collisions. The modified version of DNT+, i.e., DNT+DM, is applied to gas-phase H<subscript>2</subscript>O<superscript>+</superscript>–H<subscript>2</subscript>O and low-energy CF<subscript>3</subscript><superscript>+</superscript>–CO collisions for its validation. The cross sections (CSs) for those collisions using DNT+DM show good agreement with literature data, proving that DNT+DM is valid to some extent. Help with ion swarm analyses and measurements is needed to make the predicted CSs more accurate. [ABSTRACT FROM AUTHOR]
- Subjects :
- POLAR molecules
ELASTIC scattering
ION analysis
DIPOLE moments
ATOMS
Subjects
Details
- Language :
- English
- ISSN :
- 07342101
- Volume :
- 42
- Issue :
- 5
- Database :
- Complementary Index
- Journal :
- Journal of Vacuum Science & Technology: Part A-Vacuums, Surfaces & Films
- Publication Type :
- Academic Journal
- Accession number :
- 179513401
- Full Text :
- https://doi.org/10.1116/6.0003762