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Title: Collisional Quenching of Highly Excited H2 due to H2 Collisions

Abstract

Rate coefficients for pure rotational quenching in H2(ν 1 = 0, j 1) + H2(ν 2 = 0, j 2) collisions from initial levels of j 1 = 2–31 (j 2 = 0 or 1) to all lower rotational levels are presented. Here, we carried out extensive quantum mechanical close-coupling calculations based on a recently published H2–H2 potential energy surface (PES) developed by Patkowski et al. that has been demonstrated to be more reliable than previous work. Rotational transition cross sections with initial levels of j 1 = 2–14, 18, 19, 24, and 25 were computed for energies ranging from 10-6 to 1000 cm-1, while the coupled-states approximation was adopted from 2000 to 20,000 cm-1. The corresponding rate coefficients were calculated for the temperature range 10-5 ≤ T ≤ 10,000 K. Scaling methods based on the ultra-cold data (10-5–1 K) were used to estimate rate coefficients for all other intermediate rotational states. Comparisons with previous work that adopted different PESs show small discrepancies at high temperatures and in low-energy resonance regions. The astrophysical applications of the current results are briefly discussed, including the rotational H2 critical densities due to para-H2 and ortho-H2 collisions.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2];  [3]; ORCiD logo [4]
+ Show Author Affiliations
  1. Univ. of Georgia, Athens, GA (United States)
  2. Univ. of Nevada, Las Vegas, NV (United States)
  3. Univ. of Nevada, Las Vegas, NV (United States); The Pennsylvania State Univ. College of Medicine, Hershey, PA (United States)
  4. Penn State Univ., Reading, PA (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565709
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
The Astrophysical Journal (Online)
Additional Journal Information:
Journal Name: The Astrophysical Journal (Online); Journal Volume: 862; Journal Issue: 2; Journal ID: ISSN 1538-4357
Publisher:
Institute of Physics (IOP)
Country of Publication:
United States
Language:
English
Subject:
79 ASTRONOMY AND ASTROPHYSICS; astronomy & astrophysics; molecular data; molecular processes; scattering

Citation Formats

Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., and Forrey, R. C. Collisional Quenching of Highly Excited H2 due to H2 Collisions. United States: N. p., 2018. Web. doi:10.3847/1538-4357/aaccf8.
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Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., & Forrey, R. C. Collisional Quenching of Highly Excited H2 due to H2 Collisions. United States. https://doi.org/10.3847/1538-4357/aaccf8
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Wan, Yier, Yang, B. H., Stancil, P. C., Balakrishnan, N., Parekh, Nikhil J., and Forrey, R. C. Tue . "Collisional Quenching of Highly Excited H2 due to H2 Collisions". United States. https://doi.org/10.3847/1538-4357/aaccf8. https://www.osti.gov/servlets/purl/1565709.
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@article{osti_1565709,
title = {Collisional Quenching of Highly Excited H2 due to H2 Collisions},
author = {Wan, Yier and Yang, B. H. and Stancil, P. C. and Balakrishnan, N. and Parekh, Nikhil J. and Forrey, R. C.},
abstractNote = {Rate coefficients for pure rotational quenching in H2(ν 1 = 0, j 1) + H2(ν 2 = 0, j 2) collisions from initial levels of j 1 = 2–31 (j 2 = 0 or 1) to all lower rotational levels are presented. Here, we carried out extensive quantum mechanical close-coupling calculations based on a recently published H2–H2 potential energy surface (PES) developed by Patkowski et al. that has been demonstrated to be more reliable than previous work. Rotational transition cross sections with initial levels of j 1 = 2–14, 18, 19, 24, and 25 were computed for energies ranging from 10-6 to 1000 cm-1, while the coupled-states approximation was adopted from 2000 to 20,000 cm-1. The corresponding rate coefficients were calculated for the temperature range 10-5 ≤ T ≤ 10,000 K. Scaling methods based on the ultra-cold data (10-5–1 K) were used to estimate rate coefficients for all other intermediate rotational states. Comparisons with previous work that adopted different PESs show small discrepancies at high temperatures and in low-energy resonance regions. The astrophysical applications of the current results are briefly discussed, including the rotational H2 critical densities due to para-H2 and ortho-H2 collisions.},
doi = {10.3847/1538-4357/aaccf8},
journal = {The Astrophysical Journal (Online)},
number = 2,
volume = 862,
place = {United States},
year = {2018},
month = {7}
}
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https://doi.org/10.3847/1538-4357/aaccf8
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