scholarly journals Reduced Chemical Reaction Mechanisms: Experimental and HCCI Modelling Investigations of Autoignition Processes of n-Heptane in Internal Combustion Engines

2005 ◽  
Author(s):  
H. Machrafi ◽  
K. Lombaert ◽  
S. Cavadias ◽  
P. Guibert
Keyword(s):  
Chemical Reaction ◽  
Reaction Mechanisms ◽  
Internal Combustion Engines ◽  
Internal Combustion ◽  
Combustion Engines ◽  
Chemical Reaction Mechanisms

Systematic Reduction of Detailed Chemical Reaction Mechanisms for Engine Applications

2017 ◽  
Vol 139 (9) ◽  
Author(s):  
Lars Seidel ◽  
Corinna Netzer ◽  
Martin Hilbig ◽  
Fabian Mauss ◽  
Christian Klauer ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Internal Combustion Engines ◽  
Combustion Engine ◽  
Internal Combustion ◽  
Combustion Engines ◽  
Reactor Model ◽  
Mechanism Reduction ◽  
Rating Method ◽  
Chemical Reaction Mechanisms

In this work, we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment-based accuracy rating method for species profiles. The concept is used for a necessity-based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for computational fluid dynamics application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme.

ENTROPY PRODUCTION IN A SPONTANEOUS, ADIABATIC (NON-ISOTHERMAL) CHEMICAL REACTION

1959 ◽  
Vol 37 (11) ◽  
pp. 1911-1915
Author(s):  
D. H. Everett
Keyword(s):  
Free Energy ◽  
Entropy Production ◽  
Chemical Reaction ◽  
Internal Combustion Engines ◽  
Heat Engine ◽  
Internal Combustion ◽  
Combustion Engines ◽  
Initial Value ◽  
Definition Of

When a chemical reaction occurs spontaneously and isothermally the loss of useful work is equal to the decrease in free energy of the system. If the same reaction, supposed for example to be exothermic, occurs adiabatically the temperature rises and the system can be used as a source of heat to operate a heat engine: as heat is withdrawn the temperature of the system falls and eventually returns to its initial value. Part of the free energy of the reaction has been recovered as useful work, part lost in the spontaneous irreversible step. Expressions are derived for the loss of useful work and the entropy production in the adiabatic irreversible step, and it is shown that the work lost is equal to T0× (entropy produced) where T0 is the temperature ofthesurroundings. Some consequences of these ideas in relation to the definition of the efficiency of internal combustion engines are considered briefly.

Systematic Reduction of Detailed Chemical Reaction Mechanisms for Engine Applications

2016 ◽  
Author(s):  
Lars Seidel ◽  
Corinna Netzer ◽  
Martin Hilbig ◽  
Fabian Mauss ◽  
Christian Klauer ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Internal Combustion Engines ◽  
Combustion Engine ◽  
Internal Combustion ◽  
Combustion Engines ◽  
Reactor Model ◽  
Mechanism Reduction ◽  
Rating Method ◽  
Chemical Reaction Mechanisms

In this work we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment based accuracy rating method for species profiles. The concept is used for a necessity based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model (SRM) for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for CFD application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme.

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