کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5431263 1508769 2017 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Inelastic cross sections and rate coefficients for collisions between CO and H2
موضوعات مرتبط
مهندسی و علوم پایه شیمی طیف سنجی
پیش نمایش صفحه اول مقاله
Inelastic cross sections and rate coefficients for collisions between CO and H2
چکیده انگلیسی

A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC) calculations for transitions between low-lying rovibrational states. Good agreement between the two formulations is found for collision energies greater than 10 cm−1. The 5D-CS approximation is then used to compute two separate databases which include highly excited states of CO that are beyond the practical limitations of the 6D-CC method. The first database assumes an internally frozen H2 molecule and allows rovibrational transitions for v ≤ 5 and j ≤ 30, where v and j are the vibrational and rotational quantum numbers of the initial state of the CO molecule. The second database allows H2 rotational transitions for initial CO states with v ≤ 5 and j ≤ 10. The two databases are in good agreement with each other for transitions that are common to both basis sets. Together they provide data for astrophysical models which were previously unavailable.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Molecular Astrophysics - Volume 6, March 2017, Pages 47–58