Development of a reduced mechanism for ethanol using directed relation graph and sensitivity analysis

DOI10.1007/S10910-017-0750-ZMaRDI QIDQ2402807zbMATH OpenOpenAlexFDO

Authors Felipe C. Minuzzi, C. Bublitz, A. L. De Bortoli

Publication date 14 September 2017

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-017-0750-z

zbMATH Keywords

asymptoticscombustiondirected relation graphethanolreductionsensitivity analysis

Mathematics Subject Classification ID

Combustion (80A25) Chemical kinetics in thermodynamics and heat transfer (80A30) Chemically reacting flows (80A32) Finite difference methods applied to problems in thermodynamics and heat transfer (80M20)

Review text

The authors consider a detailed description of compustion of ethanol. They use the directed relation graph and the sensitivity analysis for simplifying the system by neglecting some of the species (so 377 reaction among 56 species are reduced to 26 reactions among 24 species). Further simplification is possible in the asymptotic case under additional steady-state assumptions.

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Cites work

• A constructive approach to quasi-steady state reductions
• A new reduced kinetic mechanism for turbulent jet diffusion flames of bioethanol
• An automatic chemical lumping method for the reduction of large chemical kinetic mechanisms
• Analysis of Kinetic Reaction Mechanisms
• Bioethanol combustion based on a reduced kinetic mechanism
• Model reduction for combustion chemistry
• Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation
• Turbulent Combustion

Cited in

(9)

• Mechanism reduction of chemical reaction based on sensitivity analysis: development and testing of some new procedure
• Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation
• Structural analysis of combustion mechanisms
• Solutions for a laminar jet diffusion flame of methyl formate using a skeletal mechanism obtained by applying ANNs
• Bioethanol combustion based on a reduced kinetic mechanism
• Obtaining a reduced kinetic mechanism for methyl butanoate
• A new reduced kinetic mechanism for turbulent jet diffusion flames of bioethanol
• Study of the sensitivity of the results of kinetic modeling to the rate constants of reaction steps.
• Numerical algorithm for refinement of the chemical reaction mechanism by DRGEP-method

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