DOI: 10.1063/1.1677912. Nonequilibrium Effects in Atomic Recombination Reactions

Nonequilibrium Effects in Atomic Recombination Reactions

10.1063/1.1677912

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Relaxation in the bromine-argon system is investigated by approximating the time evolution with a sequence of trajectory calculations. Two systems are considered: (a) recombination of bromine atoms via the radical-molecule complex mechanism and (b) rotational relaxation of a rigid rotator in a thermal bath. The phenomenological and equilibrium rate coefficients for recombination at 300°K are computed and compared. Nonequilibrium effects lead to a 19% discrepancy between the two rate coefficients after an initial transient period during which the phenomenological rate coefficient shows a distinct time dependence. Comparison of the rotational relaxation of Br2 and the rigid rotator shows the importance of vibrational-rotational coupling for highly excited molecules. The relaxation time of the vibrationally excited molecules is much greater than that of the rigid rotators.

Bibliography

Gelb, A., Kapral, R., & Burns, G. (1972). Nonequilibrium Effects in Atomic Recombination Reactions. The Journal of Chemical Physics, 56(9), 4631â4635.

Authors 3

A. Gelb (first)
R. Kapral (additional)
G. Burns (additional)

References 20 Referenced 33

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10.1063/1.1673951 / J. Chem. Phys. (1970)
10.1063/1.1695971 / J. Chem. Phys. (1965)
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10.1021/j100828a014 / J. Phys. Chem. (1961)
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{'key': '2024020908581298200_r8'}
{'key': '2024020908581298200_r9'}
{'key': '2024020908581298200_r10'}

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 3:25 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 4:54 a.m.)
Indexed	1 month, 3 weeks ago (July 8, 2025, 6:26 a.m.)
Issued	53 years, 3 months ago (May 1, 1972)
Published	53 years, 3 months ago (May 1, 1972)
Published Print	53 years, 3 months ago (May 1, 1972)

Funders 0

None

BibTeX

@article{Gelb_1972, title={Nonequilibrium Effects in Atomic Recombination Reactions}, volume={56}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1677912}, DOI={10.1063/1.1677912}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Gelb, A. and Kapral, R. and Burns, G.}, year={1972}, month=may, pages={4631–4635} }

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