基于反应的动力系统的持久子空间

IF 2.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Match-Communications in Mathematical and in Computer Chemistry Pub Date : 2023-04-01 DOI:10.46793/match.90-2.471i
B. Ibrahim, Stephan Peter
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引用次数: 1

摘要

各种类型的动力系统,如常微分方程(ode)或偏微分方程(PDEs),不仅广泛应用于化学,而且广泛应用于许多科学学科,以模拟分子、个体或物种之间的反应所产生的相互作用的动力学。本研究概述了化学组织理论(COT)如何通过仅从潜在的反应网络中识别所有潜在的持久性物种来分析此类系统,而无需模拟甚至不需要了解反应常数或动力学定律。两个极简主义的例子,只有三个响应。使用四个种类来介绍所有基本定义,包括一个新的、自然产生的持久性概念,并在没有数学细节(如证明)的情况下说明前面提到的技术。因此,COT提供了在抽象层次上分析、比较和构建非常复杂系统的方法,从而补充了分析复杂系统的其他强大技术,如缺陷、RAF理论、基本模态、图论、Lyapunov函数和分岔理论。
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Persistent Subspaces of Reaction-Based Dynamical Systems
Various types of dynamical systems, such as ordinary differential equations (ODEs) or partial differential equations (PDEs), are widely applied not only in chemistry but also in many scientific disciplines to model the dynamics arising from interactions described by reactions between molecules, individuals, or species. This study provides an overview of how Chemical Organization Theory (COT) can be used to analyze such systems by identifying all potentially persistent species solely from the underlying reaction network, without the need for simulations or even knowledge of reaction constants or kinetic laws. Two minimalist examples with only three resp. four species are used to introduce all fundamental definitions including a new, naturally arising concept of persistence, and to illustrate the fore-mentioned technique without mathematical details such as proofs. Thereby, COT is shown to provide measures to analyze, compare, and construct very complex systems on an abstract level and thus to complement other powerful techniques for the analysis of complex systems such as deficiency, RAF theory, elementary modes, graph theory, Lyapunov functions, and bifurcation theory.
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来源期刊
CiteScore
4.40
自引率
26.90%
发文量
71
审稿时长
2 months
期刊介绍: MATCH Communications in Mathematical and in Computer Chemistry publishes papers of original research as well as reviews on chemically important mathematical results and non-routine applications of mathematical techniques to chemical problems. A paper acceptable for publication must contain non-trivial mathematics or communicate non-routine computer-based procedures AND have a clear connection to chemistry. Papers are published without any processing or publication charge.
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