کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5375541 | 1504307 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
O-O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A complete set of V-T (vibration-translation) relaxation rates and of dissociation coefficients for the system O-O2 have been obtained by using quasiclassical trajectories on the Varandas and Pais potential energy surface. The results, averaged on a Boltzmann rotational distribution, cover the whole range of the vibrational ladder and are reproduced in closed form ready to be implemented in state-to-state kinetic models. The accuracy of the results has been tested by comparing them with available experimental and theoretical values (ASI-CAST project is acknowledged).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 351, Issues 1â3, 3 July 2008, Pages 91-98
Journal: Chemical Physics - Volume 351, Issues 1â3, 3 July 2008, Pages 91-98
نویسندگان
Fabrizio Esposito, Iole Armenise, Giulia Capitta, Mario Capitelli,