Yıl 2018, Cilt 7 , Sayı 1, Sayfalar 159 - 167 2018-06-29

Vibration Dynamics of H+F2 Reactive Scattering
Vibration Dynamics of H+F2 Reactive Scattering

Ezman KARABULUT [1]


In this paper the vibration distributions of H+F2 reaction on the ground electronic state, which are important for chemical laser, have been discussed. The HF molecule formed by this reaction has been examined depending on the initial and final vibration states in particular collision energies. The results have been obtained using time dependent quantum mechanical Real Wave Packet (RWP) method on Potential Energy Surface (PES) [Chemical Physics Letters, Vol. 496, 2010, 248-263], which can be given more realistic values in the strong interaction region. The state to state reaction distributions have been calculated to be able to compare with both experimental results at the collision energy of 0.105 eV and Quasi-Classical Trajectories (QCT) results depended on LEPS potential at the collision energies of 0.494 eV and 0.086 eV.  Also in this study, the obtained rate constants have been compared by theoretical and experimental values in the literature and are found to be in good agreement to each other.

Bu çalışmada kimyasal lazerler için önemli olan, taban elektronik durum üzerinde H+F2 reaksiyonunun titreşim dağılımları görüşülmüştür. 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 gözlemlendi.  

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Birincil Dil en
Konular Fen
Bölüm Makaleler
Yazarlar

Yazar: Ezman KARABULUT
Ülke: Turkey


Tarihler

Yayımlanma Tarihi : 29 Haziran 2018

Bibtex @araştırma makalesi { bitlisfen415615, journal = {Bitlis Eren Üniversitesi Fen Bilimleri Dergisi}, issn = {2147-3129}, eissn = {2147-3188}, address = {}, publisher = {Bitlis Eren Üniversitesi}, year = {2018}, volume = {7}, pages = {159 - 167}, doi = {10.17798/bitlisfen.415615}, title = {Vibration Dynamics of H+F2 Reactive Scattering}, key = {cite}, author = {KARABULUT, Ezman} }
APA KARABULUT, E . (2018). Vibration Dynamics of H+F2 Reactive Scattering. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi , 7 (1) , 159-167 . DOI: 10.17798/bitlisfen.415615
MLA KARABULUT, E . "Vibration Dynamics of H+F2 Reactive Scattering". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 7 (2018 ): 159-167 <https://dergipark.org.tr/tr/pub/bitlisfen/issue/38033/415615>
Chicago KARABULUT, E . "Vibration Dynamics of H+F2 Reactive Scattering". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 7 (2018 ): 159-167
RIS TY - JOUR T1 - Vibration Dynamics of H+F2 Reactive Scattering AU - Ezman KARABULUT Y1 - 2018 PY - 2018 N1 - doi: 10.17798/bitlisfen.415615 DO - 10.17798/bitlisfen.415615 T2 - Bitlis Eren Üniversitesi Fen Bilimleri Dergisi JF - Journal JO - JOR SP - 159 EP - 167 VL - 7 IS - 1 SN - 2147-3129-2147-3188 M3 - doi: 10.17798/bitlisfen.415615 UR - https://doi.org/10.17798/bitlisfen.415615 Y2 - 2018 ER -
EndNote %0 Bitlis Eren Üniversitesi Fen Bilimleri Dergisi Vibration Dynamics of H+F2 Reactive Scattering %A Ezman KARABULUT %T Vibration Dynamics of H+F2 Reactive Scattering %D 2018 %J Bitlis Eren Üniversitesi Fen Bilimleri Dergisi %P 2147-3129-2147-3188 %V 7 %N 1 %R doi: 10.17798/bitlisfen.415615 %U 10.17798/bitlisfen.415615
ISNAD KARABULUT, Ezman . "Vibration Dynamics of H+F2 Reactive Scattering". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 7 / 1 (Haziran 2018): 159-167 . https://doi.org/10.17798/bitlisfen.415615
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): 167-159.