Mielke, Alexander and Maas, Jan
(2020)
*Modeling of chemical reaction systems with detailed balance using gradient structures.*
Journal of Statistical Physics, 181
.
pp. 2257-2303.

PDF
632kB |

Official URL: https://doi.org/10.1007/s10955-020-02663-4

## Abstract

We consider various modeling levels for spatially homogeneous chemical reaction systems, namely the chemical master equation, the chemical Langevin dynamics, and the reactionrate 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 �-convergence of gradient flows. Moreover, we use the gradient structures to derive hybrid models for coupling different modeling levels.

Item Type: | Article |
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Subjects: | Mathematical and Computer Sciences > Mathematics > Applied Mathematics |

Divisions: | Department of Mathematics and Computer Science > Institute of Mathematics |

ID Code: | 2658 |

Deposited By: | Monika Drueck |

Deposited On: | 17 Jan 2022 15:11 |

Last Modified: | 17 Jan 2022 15:11 |

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