title: Energy exchange rate coefficients in modeling carbon dioxide kinetics: calculation optimization
metadata.name: dc.contributor.author
metadata.value: Gorikhovskii, Viacheslav I.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Nagnibeda, Ekaterina A.
metadata.lang: -
metadata.name: dc.date.accessioned
metadata.value: 2019-12-06T13:12:40Z
metadata.lang: -
metadata.name: dc.date.available
metadata.value: 2019-12-06T13:12:40Z
metadata.lang: -
metadata.name: dc.date.issued
metadata.value: 2019-12
metadata.lang: -
metadata.name: dc.identifier.citation
metadata.value: Gorikhovsky V. I., Nagnibeda E. A. Energy exchange rate coefficients in modeling carbon dioxide kinetics: calculation optimization. Vestnik of Saint Petersburg University. Mathematics. Mechanics. Astronomy, 2019, vol. 6 (64), issue 4, pp. 659–671.
metadata.lang: en_GB
metadata.name: dc.identifier.other
metadata.value: https://doi.org/10.21638/11701/spbu01.2019.411
metadata.lang: -
metadata.name: dc.identifier.uri
metadata.value: http://hdl.handle.net/11701/16748
metadata.lang: -
metadata.name: dc.description.abstract
metadata.value: Algorithms for calculation of vibrational energy exchange rate coefficients at the collisions
  of carbon dioxide molecules are considered in the paper. For numerical modeling of CO2
  vibrational kinetics in the state-to-state approach, it is necessary to solve a system of
  differential equations for level populations of three vibrational CO2 modes at each step
  of calculations; the number of these equations is about several thousands. Right hand
  sides of these equations contain hundreds of thousands of energy exchange rate coefficients.
  From the numerical point of view, this modeling relates to the Big Data and requires
  developing rapid numerical methods or pre-calculations. Such amount of data also requires
  providing a fast data access. Up to the present time, for the state-to-state description of CO2
  vibrational relaxation, only simplified kinetic schemes were used with limited number of
  vibrational levels and energy transitions. In the present paper, the problem is solved in the
  complete formulation. The complete sets of CO2 vibrational levels and energy transitions
  are taken into account. The effective scheme for calculation of vibrational energy exchange
  rate coefficients is proposed on the basis of parallel computations and code optimization as
  well as the optimal data structure for their storage.
metadata.lang: en_GB
metadata.name: dc.description.sponsorship
metadata.value: The study was carried out with the financial support of the Russian Science Foundation (project No. 19-11-00041).
metadata.lang: en_GB
metadata.name: dc.language.iso
metadata.value: ru
metadata.lang: en_GB
metadata.name: dc.publisher
metadata.value: St Petersburg State University
metadata.lang: en_GB
metadata.name: dc.relation.ispartofseries
metadata.value: Vestnik of St Petersburg University. Mathematics. Mechanics. Astronomy;Volume 6 (64); Issue 4
metadata.lang: -
metadata.name: dc.subject
metadata.value: vibrational kinetics
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: carbon dioxide
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: state-to-state approach
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: optimization of numerical calculations
metadata.lang: en_GB
metadata.name: dc.title
metadata.value: Energy exchange rate coefficients in modeling carbon dioxide kinetics: calculation optimization
metadata.lang: en_GB
metadata.name: dc.type
metadata.value: Article
metadata.lang: en_GB
resources.filename: 659-671.pdf
resources.url: https://dspace.spbu.ru/bitstream/11701/16748/1/659-671.pdf
resources.format: Adobe PDF
resources.size: 767,31 kB