{"oa_version":"Published Version","oa":1,"date_created":"2020-11-15T23:01:18Z","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","publisher":"Springer Nature","scopus_import":"1","quality_controlled":"1","title":"Modeling of chemical reaction systems with detailed balance using gradient structures","status":"public","type":"journal_article","license":"https://creativecommons.org/licenses/by/4.0/","file":[{"content_type":"application/pdf","access_level":"open_access","creator":"dernst","file_name":"2020_JourStatPhysics_Maas.pdf","checksum":"bc2b63a90197b97cbc73eccada4639f5","relation":"main_file","success":1,"file_id":"9087","file_size":753596,"date_created":"2021-02-04T10:29:11Z","date_updated":"2021-02-04T10:29:11Z"}],"day":"01","month":"12","article_processing_charge":"No","date_updated":"2023-08-22T13:24:27Z","tmp":{"image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication_status":"published","date_published":"2020-12-01T00:00:00Z","issue":"6","department":[{"_id":"JaMa"}],"abstract":[{"text":"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.","lang":"eng"}],"intvolume":"       181","volume":181,"year":"2020","file_date_updated":"2021-02-04T10:29:11Z","isi":1,"acknowledgement":"The research of A.M. was partially supported by the Deutsche Forschungsgemeinschaft (DFG) via the Collaborative Research Center SFB 1114 Scaling Cascades in Complex Systems (Project No. 235221301), through the Subproject C05 Effective models for materials and interfaces with multiple scales. J.M. gratefully acknowledges support by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 716117), and by the Austrian Science Fund (FWF), Project SFB F65. The authors thank Christof Schütte, Robert I. A. Patterson, and Stefanie Winkelmann for helpful and stimulating discussions. Open access funding provided by Austrian Science Fund (FWF).","project":[{"grant_number":"716117","_id":"256E75B8-B435-11E9-9278-68D0E5697425","name":"Optimal Transport and Stochastic Dynamics","call_identifier":"H2020"},{"call_identifier":"FWF","grant_number":" F06504","_id":"260482E2-B435-11E9-9278-68D0E5697425","name":"Taming Complexity in Partial Di erential Systems"}],"ddc":["510"],"author":[{"orcid":"0000-0002-0845-1338","first_name":"Jan","last_name":"Maas","full_name":"Maas, Jan","id":"4C5696CE-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Alexander","last_name":"Mielke","full_name":"Mielke, Alexander"}],"publication":"Journal of Statistical Physics","has_accepted_license":"1","page":"2257-2303","doi":"10.1007/s10955-020-02663-4","external_id":{"arxiv":["2004.02831"],"isi":["000587107200002"]},"publication_identifier":{"issn":["00224715"],"eissn":["15729613"]},"article_type":"original","citation":{"ieee":"J. Maas and A. Mielke, “Modeling of chemical reaction systems with detailed balance using gradient structures,” <i>Journal of Statistical Physics</i>, vol. 181, no. 6. Springer Nature, pp. 2257–2303, 2020.","mla":"Maas, Jan, and Alexander Mielke. “Modeling of Chemical Reaction Systems with Detailed Balance Using Gradient Structures.” <i>Journal of Statistical Physics</i>, vol. 181, no. 6, Springer Nature, 2020, pp. 2257–303, doi:<a href=\"https://doi.org/10.1007/s10955-020-02663-4\">10.1007/s10955-020-02663-4</a>.","short":"J. Maas, A. Mielke, Journal of Statistical Physics 181 (2020) 2257–2303.","ista":"Maas J, Mielke A. 2020. Modeling of chemical reaction systems with detailed balance using gradient structures. Journal of Statistical Physics. 181(6), 2257–2303.","chicago":"Maas, Jan, and Alexander Mielke. “Modeling of Chemical Reaction Systems with Detailed Balance Using Gradient Structures.” <i>Journal of Statistical Physics</i>. Springer Nature, 2020. <a href=\"https://doi.org/10.1007/s10955-020-02663-4\">https://doi.org/10.1007/s10955-020-02663-4</a>.","apa":"Maas, J., &#38; Mielke, A. (2020). Modeling of chemical reaction systems with detailed balance using gradient structures. <i>Journal of Statistical Physics</i>. Springer Nature. <a href=\"https://doi.org/10.1007/s10955-020-02663-4\">https://doi.org/10.1007/s10955-020-02663-4</a>","ama":"Maas J, Mielke A. Modeling of chemical reaction systems with detailed balance using gradient structures. <i>Journal of Statistical Physics</i>. 2020;181(6):2257-2303. doi:<a href=\"https://doi.org/10.1007/s10955-020-02663-4\">10.1007/s10955-020-02663-4</a>"},"ec_funded":1,"_id":"8758","language":[{"iso":"eng"}]}