کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7846082 | 1508605 | 2018 | 18 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
High-temperature partition functions, specific heats and spectral radiative properties of diatomic molecules with an improved calculation of energy levels
ترجمه فارسی عنوان
توابع پارتیشن با درجه حرارت بالا، گرمای ویژه و خواص تابشی طیفی مولکول های دیاتومیک با محاسبه بهتر سطح انرژی
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
مولکول های دیاتومیک، عدم تعادل، تابع پارتیشن، خواص ترمودینامیکی، خواص شعاعی طیفی،
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
طیف سنجی
چکیده انگلیسی
The level energies of diatomic molecules calculated by the frequently used Dunham expansion will become less accurate for high-lying vibrational and rotational levels. In this paper, the potential curves for the lower-lying electronic states with accurate spectroscopic constants are reconstructed using the Rydberg-Klein-Rees (RKR) method, which are extrapolated to the dissociation limits by fitting of the theoretical potentials, and the rest of the potential curves are obtained from the ab-initio results in the literature. Solving the rotational dependence of the radial Schrödinger equation over the obtained potential curves, we determine the rovibrational level energies, which are then used to calculate the equilibrium and non-equilibrium thermodynamic properties of N2, N2+, NO, O2, CN, C2, CO and CO+. The partition functions and the specific heats are systematically validated by available data in the literature. Finally, we calculate the radiative source strengths of diatomic molecules in thermodynamic equilibrium, which agree well with the available values in the literature. The spectral radiative intensities for some diatomic molecules in thermodynamic non-equilibrium are calculated and validated by available experimental data.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 210, May 2018, Pages 1-18
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 210, May 2018, Pages 1-18
نویسندگان
Qin Z., Zhao J.M., Liu L.H.,