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Reactive, Inelastic, and Dissociation Processes in Collisions of Atomic Nitrogen with Molecular Oxygen.

作者信息

Esposito Fabrizio, Armenise Iole

机构信息

CNR ISTP (Istituto per la Scienza e Tecnologia dei Plasmi), Via Amendola 122/D, 70126 Bari, Italy.

出版信息

J Phys Chem A. 2021 May 13;125(18):3953-3964. doi: 10.1021/acs.jpca.0c09999. Epub 2021 Apr 28.

DOI:10.1021/acs.jpca.0c09999
PMID:33909438
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9282678/
Abstract

Collisions of atomic nitrogen with molecular oxygen have been treated with the quasiclassical trajectory method (QCT) in order to obtain a complete database of vibrationally detailed cross sections and rate coefficients for reactive, inelastic, and dissociation processes. For reaction rate coefficients, the agreement with experimental and theoretical data in the literature is excellent on the whole available interval 300-5000 K, with reliable extension to 20,000 K. For the inelastic case and for dissociation, no comparisons are available; therefore, a study of QCT reliability is proposed. In the inelastic case, it is found that "purely inelastic" and "quasireactive" collisions show not only different mechanisms but also different QCT levels of reliability at low energy. For dissociation, similar considerations bring to the conclusion that for the present collisional system, the QCT method is appropriate on the whole energy range studied. Rate coefficients for all the processes studied are provided in the electronic form.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/426284c6c1f5/jp0c09999_0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/2abb9988d4ef/jp0c09999_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/e334ba90882b/jp0c09999_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/2a198e4bc5ab/jp0c09999_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/6526c61f612f/jp0c09999_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/3ca2af7e63cb/jp0c09999_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/be710b04595c/jp0c09999_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/edc241a7fa15/jp0c09999_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/d1ef76837260/jp0c09999_0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/c26e03f459a3/jp0c09999_0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/426284c6c1f5/jp0c09999_0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/2abb9988d4ef/jp0c09999_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/e334ba90882b/jp0c09999_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/2a198e4bc5ab/jp0c09999_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/6526c61f612f/jp0c09999_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/3ca2af7e63cb/jp0c09999_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/be710b04595c/jp0c09999_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/edc241a7fa15/jp0c09999_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/d1ef76837260/jp0c09999_0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/c26e03f459a3/jp0c09999_0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c35/9282678/426284c6c1f5/jp0c09999_0011.jpg

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