Autoignition Problem in Homogeneous Combustion Systems: GQL versus QSSA Combined with DRG

Chunkan Yu, Sudhi Shashidharan, Shuyang Wu, Felipe Minuzzi, Viatcheslav Bykov
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Abstract

The global quasi-linearization (GQL) is used as a method to study and to reduce the complexity of mathematical models of mechanisms of chemical kinetics. Similar to standard methodologies, such as the quasi-steady-state assumption (QSSA), the GQL method defines the fast and slow invariant subspaces and uses slow manifolds to gain a reduced representation. It does not require empirical inputs and is based on the eigenvalue and eigenvector decomposition of a linear map approximating the nonlinear vector field of the original system. In the present work, the GQL-based slow/fast decomposition is applied for different combustion systems. The results are compared with the standard QSSA approach. For this, an implicit implementation strategy described by differential algebraic equations (DAEs) systems is suggested and used, which allows for treating both approaches within the same computational framework. Hydrogen–air (with 9 species) and ethanol–air (with 57 species) combustion systems are considered representative examples to illustrate and verify the GQL. The results show that 4D GQL for hydrogen–air and 14D GQL ethanol–air slow manifolds outperform the standard QSSA approach based on a DAE-based reduced computation model.
均相燃烧系统的自燃问题:GQL与QSSA结合DRG
采用全局拟线性化(GQL)方法研究和降低化学动力学机理数学模型的复杂性。与准稳态假设(QSSA)等标准方法类似,GQL方法定义了快速和慢速不变子空间,并使用慢速流形获得简化表示。它不需要经验输入,并且基于近似原始系统非线性向量场的线性映射的特征值和特征向量分解。在本工作中,将基于gql的慢/快分解应用于不同的燃烧系统。结果与标准QSSA方法进行了比较。为此,建议并使用了由微分代数方程(DAEs)系统描述的隐式实现策略,该策略允许在相同的计算框架内处理这两种方法。氢-空气(9种)和乙醇-空气(57种)燃烧系统被认为是说明和验证GQL的代表性例子。结果表明,基于dae的简化计算模型,氢-空气慢流形的4D GQL和乙醇-空气慢流形的14D GQL优于标准的QSSA方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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