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Invariant manifolds for model reduction in chemical kinetics

English title Invariant manifolds for model reduction in chemical kinetics
Applicant Karlin Ilya
Number 107885
Funding scheme Project funding
Research institution Institut für Energietechnik ETH Zürich
Institution of higher education ETH Zurich - ETHZ
Main discipline Other disciplines of Engineering Sciences
Start/End 01.01.2006 - 31.12.2008
Approved amount 137'726.00
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Keywords (4)

model reduction; chemical kinetics; dynamical systems; thermodynamics

Lay Summary (English)

Lay summary
Modelling of most reacting flows of practical interest involves systemswith a large number of chemical species in nontrivial flow conditions. Thedetailed reaction mechanisms that have been developed can include hundredsof species participating in thousands of reactions (particularly forcombustion chemistry). The complexity of the problem is greatly amplifiedif one considers non-homogeneous systems under nontrivial mass,momentum and energy transfer and detailed reaction mechanisms result inmodels that require excessive computational resources.The specific goal of this proposal is to develop computationally efficientrealizations of the Method of Invariant Manifolds (MIM) for the purpose ofmodel reduction in chemical kinetics.At the heart of the MIM, the initial approximate invariant manifolds whichattract individual trajectories in the concentrations space are correctediteratively using rapidly convergent methods (such as Newton method) whilethe reduced dynamics on these manifolds is constructed using thethermodynamic projector which respects the requirements of the second lawof thermodynamics (entropy increase in the irreversible processes). Themethod will be implemented numerically and the reduced schemes obtainedwill be employed in existing codes for the simulation of reactive flows.
Direct link to Lay Summary Last update: 21.02.2013

Responsible applicant and co-applicants


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Associated projects

Number Title Start Funding scheme
137771 Automated reduction of detailed reaction mechanisms and use in muti-dimensional combustion simulations 01.02.2012 Project funding