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

• Published in: Modelling Vol. 4; no. 4; pp. 470 - 484
• Main Authors: Yu, Chunkan, Shashidharan, Sudhi, Wu, Shuyang, Minuzzi, Felipe, Bykov, Viatcheslav
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01-12-2023
• Subjects: Approximation; chemical kinetics; Chemical reactions; Combustion; Decomposition; Differential equations; Eigenvalues; Eigenvectors; Ethanol; Fields (mathematics); GQL; Hydrogen; ignition problem; Mathematical models; model reduction; Ordinary differential equations; Reaction kinetics; reduced chemistry; Spontaneous combustion; Subspaces
• ISSN: 2673-3951; 2673-3951
• DOI: 10.3390/modelling4040027

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.