title: Optimization of CO2 vibrational kinetics modeling in the full state-to-state approach
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: 2020-09-11T09:23:57Z
metadata.lang: -
metadata.name: dc.date.available
metadata.value: 2020-09-11T09:23:57Z
metadata.lang: -
metadata.name: dc.date.issued
metadata.value: 2020-09
metadata.lang: -
metadata.name: dc.identifier.citation
metadata.value: Gorikhovsky V. I., Nagnibeda E. A. Optimization of CO2 vibrational kinetics modeling in the full state-to-state approach. Vestnik of Saint Petersburg University. Mathematics. Mechanics. Astronomy, 2020, vol. 7 (65), issue 3, pp. 527–538.
metadata.lang: en_GB
metadata.name: dc.identifier.other
metadata.value: https://doi.org/10.21638/spbu01.2020.315
metadata.lang: -
metadata.name: dc.identifier.uri
metadata.value: http://hdl.handle.net/11701/19410
metadata.lang: -
metadata.name: dc.description.abstract
metadata.value: Numerical modeling of nonequilibrium state-to-state carbon dioxide kinetics is a challenging time-consuming computational task that involves solving a huge system of stiff differential equations and requires optimized methods to solve it. In the present study, we propose and investigate optimizations for the extended backward differential formula (EBDF) scheme. Using adaptive timesteps instead of fixed ones reduces the number of steps in the algorithm many thousands of times, although with an increase in step complexity. The use of parallel computations to calculate relaxation terms allows one to further reduce the computation time. Numerical experiments on the modeling of spatially homogeneous carbon dioxide vibrational relaxation were performed for optimized computational schemes of different orders. Based on them, the most optimal algorithm of calculations was recommended: a parallel EBDF-scheme of fourth-order with an adaptive timestep. This method takes less computational time and memory costs and has the high stability.
metadata.lang: en_GB
metadata.name: dc.description.sponsorship
metadata.value: The work is supported by Russian Foundation for Basic Research (grants no. 18-01-00493, 19-31-
  90059).
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 7 (65); Issue 3
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: parallel algorithms
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: Optimization of CO2 vibrational kinetics modeling in the full state-to-state approach
metadata.lang: en_GB
metadata.name: dc.type
metadata.value: Article
metadata.lang: en_GB
resources.filename: 527-538.pdf
resources.url: https://dspace.spbu.ru/bitstream/11701/19410/1/527-538.pdf
resources.format: Adobe PDF
resources.size: 802,91 kB