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Model reduction in chemical dynamics: slow invariant manifolds, singular perturbations, thermodynamic estimates, and analysis of reaction graph
Current Opinion in Chemical Engineering ( IF 8.0 ) Pub Date : 2018-04-17 , DOI: 10.1016/j.coche.2018.02.009
AN Gorban

The paper has two goals:

(1)

It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps.

(2)

It describes briefly the current state of the art and some latest achievements in the broad area of model reduction in chemical and biochemical kinetics, including new results in methods of invariant manifolds, computation singular perturbation, bottleneck methods, asymptotology, tropical equilibration, and reaction mechanism skeletonization.



中文翻译:

化学动力学模型的减少:慢不变歧管,奇异摄动,热力学估计和反应图分析

本文有两个目标:

(1)

它提出了减少反应动力学模型的基本思想,概念和方法:准稳态,准平衡,慢不变歧管和限制步骤。

(2)

它简要描述了化学和生化动力学模型简化的广泛领域的最新技术和最新成果,包括不变流形方法,计算奇异摄动,瓶颈方法,渐近论,热带平衡和反应机理的新结果骨架化。

更新日期:2018-04-17
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