Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive
The research presented by the author investigates a polyatomic reaction occurring in the gas phase. This study employs the Quasi-Classical Trajectory (QCT) approach using the Wu–Schatz–Lendvay–Fang–Harding (WSLFH) potential energy surface (PES), recognized as one of the most reliable PES models for...
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2025-01-01
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| author | José Daniel Sierra Murillo |
| author_facet | José Daniel Sierra Murillo |
| author_sort | José Daniel Sierra Murillo |
| collection | DOAJ |
| description | The research presented by the author investigates a polyatomic reaction occurring in the gas phase. This study employs the Quasi-Classical Trajectory (QCT) approach using the Wu–Schatz–Lendvay–Fang–Harding (WSLFH) potential energy surface (PES), recognized as one of the most reliable PES models for this type of analysis. The substantial sample size enables the derivation of detailed results that corroborate previous findings while also identifying potential objectives for future experimental work. The Gaussian Binning (GB) technique is utilized to more effectively highlight the variation in the total angular momentum (J′) of the excited product molecule, HOD*. A key aim of the study is to explore the reaction dynamics due to their importance in excitation and emission processes, which may contribute to the development of a chemical laser based on this reaction. Increasing the vibrational level, v, of one reactant, D<sub>2</sub>, significantly enhances the excitation of HOD* and shifts the P(J′) distributions towards higher J′ values, while also broadening the distribution. Although the current research focuses on a few initial conditions, the author plans to extend the study to encompass a wider range of initial conditions within the reaction chamber of this type of chemical laser. |
| format | Article |
| id | doaj-art-fb92392c38de4548887e55aa6c7f71d1 |
| institution | Kabale University |
| issn | 2218-2004 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Atoms |
| spelling | doaj-art-fb92392c38de4548887e55aa6c7f71d12025-01-24T13:22:05ZengMDPI AGAtoms2218-20042025-01-01131510.3390/atoms13010005Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a ReactiveJosé Daniel Sierra Murillo0Departamento de Química, Universidad de La Rioja, 26006 Logroño, SpainThe research presented by the author investigates a polyatomic reaction occurring in the gas phase. This study employs the Quasi-Classical Trajectory (QCT) approach using the Wu–Schatz–Lendvay–Fang–Harding (WSLFH) potential energy surface (PES), recognized as one of the most reliable PES models for this type of analysis. The substantial sample size enables the derivation of detailed results that corroborate previous findings while also identifying potential objectives for future experimental work. The Gaussian Binning (GB) technique is utilized to more effectively highlight the variation in the total angular momentum (J′) of the excited product molecule, HOD*. A key aim of the study is to explore the reaction dynamics due to their importance in excitation and emission processes, which may contribute to the development of a chemical laser based on this reaction. Increasing the vibrational level, v, of one reactant, D<sub>2</sub>, significantly enhances the excitation of HOD* and shifts the P(J′) distributions towards higher J′ values, while also broadening the distribution. Although the current research focuses on a few initial conditions, the author plans to extend the study to encompass a wider range of initial conditions within the reaction chamber of this type of chemical laser.https://www.mdpi.com/2218-2004/13/1/5OH + D<sub>2</sub>gas phase reactionWu–Schatz–Lendvay–Fang–Harding potential energy surfaceQuasi–Classical TrajectoryVibrational and Rotational Gaussian Binning selectionschemical laser |
| spellingShingle | José Daniel Sierra Murillo Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive Atoms OH + D<sub>2</sub> gas phase reaction Wu–Schatz–Lendvay–Fang–Harding potential energy surface Quasi–Classical Trajectory Vibrational and Rotational Gaussian Binning selections chemical laser |
| title | Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive |
| title_full | Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive |
| title_fullStr | Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive |
| title_full_unstemmed | Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive |
| title_short | Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive |
| title_sort | chemical lasers based on polyatomic reaction dynamics research of vibrational excitation in a reactive |
| topic | OH + D<sub>2</sub> gas phase reaction Wu–Schatz–Lendvay–Fang–Harding potential energy surface Quasi–Classical Trajectory Vibrational and Rotational Gaussian Binning selections chemical laser |
| url | https://www.mdpi.com/2218-2004/13/1/5 |
| work_keys_str_mv | AT josedanielsierramurillo chemicallasersbasedonpolyatomicreactiondynamicsresearchofvibrationalexcitationinareactive |