Vibration Dynamics of H+F2 Reactive Scattering
Yıl: 2018 Cilt: 7 Sayı: 1 Sayfa Aralığı: 159 - 167 Metin Dili: İngilizce İndeks Tarihi: 21-02-2019
Vibration Dynamics of H+F2 Reactive Scattering
Öz: In this paper the vibration distributions of H+F2 reaction on the ground electronic state, which are important forchemical laser, have been examined. The HF molecule formed by this reaction has been examined depending onthe initial and final vibration states in particular collision energies. The results have been obtained using timedependent quantum mechanical Real Wave Packet (RWP) method on Potential Energy Surface (PES), which canbe given more realistic values in the strong interaction region. The state to state reaction distributions have beencalculated to be able to compare with both experimental results at the collision energy of 0.105 eV and QuasiClassicalTrajectories (QCT) results depended on LEPS potential at the collision energies of 0.494 eV and 0.086eV. Also in this study, the obtained rate constants have been compared by theoretical and experimental values inthe literature and are found to be in good agreement with each other.
Anahtar Kelime: H+F2 Reaktif Saçılmanın Titreşim Dinamikleri
Öz: Bu çalışmada kimyasal lazerler için önemli olan, taban elektronik durum üzerinde H+F2 reaksiyonunun titreşim dağılımları incelenmiştir. Reaksiyonla oluşan HF molekülü, belli çarpışma enerjilerinde, başlangıç ve son kuantum durumlarına bağlı olarak incelenmiştir. Sonuçlar, güçlü etkileşme bölgesinde daha gerçekçi değerleri verebilen potansiyel enerji yüzeyi üzerinde zamana bağlı kuantum mekaniksel Reel Dalga Paketi (RWP) kullanılarak elde edildi. Bir durumdan diğerine reaksiyon dağılımları, 0,105 eV luk deneysel sonuçlar ve 0,494 ve 0,086 eV luk Yarı Klasik İz metodu (QCT) sonuçları ile kıyaslayabilmek için hesaplandı. Ayrıca bu çalışmada, elde edilen hız sabitleri literatürde bulunan deneysel ve teorik değerlerle karşılaştırıldı ve birbirleri ile iyi uyumda oldukları belirlendi.
Anahtar Kelime: Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık
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| APA | KARABULUT E (2018). Vibration Dynamics of H+F2 Reactive Scattering. , 159 - 167. |
| Chicago | KARABULUT EZMAN Vibration Dynamics of H+F2 Reactive Scattering. (2018): 159 - 167. |
| MLA | KARABULUT EZMAN Vibration Dynamics of H+F2 Reactive Scattering. , 2018, ss.159 - 167. |
| AMA | KARABULUT E Vibration Dynamics of H+F2 Reactive Scattering. . 2018; 159 - 167. |
| Vancouver | KARABULUT E Vibration Dynamics of H+F2 Reactive Scattering. . 2018; 159 - 167. |
| IEEE | KARABULUT E "Vibration Dynamics of H+F2 Reactive Scattering." , ss.159 - 167, 2018. |
| ISNAD | KARABULUT, EZMAN. "Vibration Dynamics of H+F2 Reactive Scattering". (2018), 159-167. |
| APA | KARABULUT E (2018). Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 7(1), 159 - 167. |
| Chicago | KARABULUT EZMAN Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 7, no.1 (2018): 159 - 167. |
| MLA | KARABULUT EZMAN Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, vol.7, no.1, 2018, ss.159 - 167. |
| AMA | KARABULUT E Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2018; 7(1): 159 - 167. |
| Vancouver | KARABULUT E Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2018; 7(1): 159 - 167. |
| IEEE | KARABULUT E "Vibration Dynamics of H+F2 Reactive Scattering." Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 7, ss.159 - 167, 2018. |
| ISNAD | KARABULUT, EZMAN. "Vibration Dynamics of H+F2 Reactive Scattering". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 7/1 (2018), 159-167. |
