Modeling of chemical reaction systems with detailed balance using gradient structures
dc.bibliographicCitation.seriesTitle | WIAS Preprints | eng |
dc.bibliographicCitation.volume | 2712 | |
dc.contributor.author | Maas, Jan | |
dc.contributor.author | Mielke, Alexander | |
dc.date.accessioned | 2022-06-30T12:54:13Z | |
dc.date.available | 2022-06-30T12:54:13Z | |
dc.date.issued | 2020 | |
dc.description.abstract | We consider various modeling levels for spatially homogeneous chemical reaction systems, namely the chemical master equation, the chemical Langevin dynamics, and the reaction-rate equation. Throughout we restrict our study to the case where the microscopic system satisfies the detailed-balance condition. The latter allows us to enrich the systems with a gradient structure, i.e. the evolution is given by a gradient-flow equation. We present the arising links between the associated gradient structures that are driven by the relative entropy of the detailed-balance steady state. The limit of large volumes is studied in the sense of evolutionary Γ-convergence of gradient flows. Moreover, we use the gradient structures to derive hybrid models for coupling different modeling levels. | eng |
dc.description.version | publishedVersion | eng |
dc.identifier.uri | https://oa.tib.eu/renate/handle/123456789/9362 | |
dc.identifier.uri | https://doi.org/10.34657/8400 | |
dc.language.iso | eng | |
dc.publisher | Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik | |
dc.relation.doi | https://doi.org/10.20347/WIAS.PREPRINT.2712 | |
dc.relation.hasversion | https://doi.org/10.1007/s10955-020-02663-4 | |
dc.relation.issn | 2198-5855 | |
dc.rights.license | This document may be downloaded, read, stored and printed for your own use within the limits of § 53 UrhG but it may not be distributed via the internet or passed on to external parties. | eng |
dc.rights.license | Dieses Dokument darf im Rahmen von § 53 UrhG zum eigenen Gebrauch kostenfrei heruntergeladen, gelesen, gespeichert und ausgedruckt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden. | ger |
dc.subject.ddc | 510 | |
dc.subject.other | Reaction-rate equation | eng |
dc.subject.other | chemical master equation | eng |
dc.subject.other | Fokker-Planck equation | eng |
dc.subject.other | chemical Langevin dynamics | eng |
dc.subject.other | detailed-balance condition | eng |
dc.subject.other | relative entropy | eng |
dc.subject.other | dissipation potentials | eng |
dc.subject.other | gradient structures | eng |
dc.subject.other | many-particle limit | eng |
dc.title | Modeling of chemical reaction systems with detailed balance using gradient structures | eng |
dc.type | Report | eng |
dc.type | Text | eng |
dcterms.extent | 48 S. | |
tib.accessRights | openAccess | |
wgl.contributor | WIAS | |
wgl.subject | Mathematik | |
wgl.type | Report / Forschungsbericht / Arbeitspapier |
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