title: Modeling the process of filling carbon nanocontainers with hydrogen
metadata.name: dc.contributor.author
metadata.value: Egorov, Nikolay V.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Vasilyev, Alexander A.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Andreeva, Tatiana A.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Bedrina, Marina E.
metadata.lang: -
metadata.name: dc.date.accessioned
metadata.value: 2023-01-19T19:58:46Z
metadata.lang: -
metadata.name: dc.date.available
metadata.value: 2023-01-19T19:58:46Z
metadata.lang: -
metadata.name: dc.date.issued
metadata.value: 2022-09
metadata.lang: -
metadata.name: dc.identifier.citation
metadata.value: Egorov N. V., Vasilyev A. A., Andreeva T. A., Bedrina M. E. Modeling the process of filling carbon nanocontainers with hydrogen. Vestnik of Saint Petersburg University. Applied Mathematics. Computer Science. Control Processes, 2022, vol. 18, iss. 3, pp. 379–389.
metadata.lang: en_GB
metadata.name: dc.identifier.other
metadata.value: https://doi.org/10.21638/11701/spbu10.2022.307
metadata.lang: -
metadata.name: dc.identifier.uri
metadata.value: http://hdl.handle.net/11701/38867
metadata.lang: -
metadata.name: dc.description.abstract
metadata.value: The problem of storing and transporting hydrogen in containers based on fullerenes and carbon nanotubes is relevant to hydrogen energy. This problem theoretically can be solved using quantum chemistry methods and powerful computer technology to calculate molecules with a large number of atoms, polymers, nanostructures and nanotubes. It is necessary to create a theoretical model of the electromagnetic field in the cavity of fullerene molecules and nanotubes in order to understand how atoms and molecules of hydrogen or any other substances behave in it. Computer simulation of the filling process by hydrogen molecules fullerenes and nanotubes was performed by quantum mechanics methods DFT with GAUSSIAN 09 program.
metadata.lang: en_GB
metadata.name: dc.language.iso
metadata.value: en
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. Applied Mathematics. Computer Science. Control Processes;Volume 18; Issue 3
metadata.lang: -
metadata.name: dc.subject
metadata.value: hydrogen energy
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: fullerenes
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: nanocontainers
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: quantum mechanics
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: DFT
metadata.lang: en_GB
metadata.name: dc.title
metadata.value: Modeling the process of filling carbon nanocontainers with hydrogen
metadata.lang: en_GB
metadata.name: dc.type
metadata.value: Article
metadata.lang: en_GB
resources.filename: 14577-Текст статьи-48025-1-10-20221012.pdf
resources.url: https://dspace.spbu.ru/bitstream/11701/38867/1/14577-%d0%a2%d0%b5%d0%ba%d1%81%d1%82%20%d1%81%d1%82%d0%b0%d1%82%d1%8c%d0%b8-48025-1-10-20221012.pdf
resources.format: Adobe PDF
resources.size: 1,12 MB