Projekt

Zurück zur Übersicht

Automated reduction of detailed reaction mechanisms and use in muti-dimensional combustion simulations

Titel Englisch Automated reduction of detailed reaction mechanisms and use in muti-dimensional combustion simulations
Gesuchsteller/in Frouzakis Christos
Nummer 137771
Förderungsinstrument Projektförderung (Abt. I-III)
Forschungseinrichtung Institut für Energietechnik ETH Zürich
Hochschule ETH Zürich - ETHZ
Hauptdisziplin Maschineningenieurwesen
Beginn/Ende 01.02.2012 - 31.07.2015
Bewilligter Betrag 191'005.00
Alle Daten anzeigen

Alle Disziplinen (2)

Disziplin
Maschineningenieurwesen
Fluiddynamik

Keywords (3)

reduced reaction mechanism; combustion kinetics; model reduction

Lay Summary (Englisch)

Lead
Lay summary
Energy conversion systems are today dominated and will for several decades depend very significantly on combustion processes, with biogenic fuels receiving increasing attention. Particularly in transportation systems (internal combustion engines and gas turbines), efficient and “near-zero” pollutant combustion processes can only be designed if complex reaction kinetics and their interaction with thermofluidics can be investigated and understood in depth.
The detailed description of combustion chemistry of practical fuels (typically blends of higher hydrocarbons) can include hundreds of species participating in thousands of reactions. For systems of practical interest which are spatially varying in complex geometries and include nontrivial mass, momentum and energy transfer, the use of detailed reaction mechanisms results in models that require excessive computational resources. Therefore, the efficient simulations of reacting systems in two and three spatial dimensions necessitates the development and utilization of accurate simplified descriptions of the chemistry with a small number of species.
Different methodologies have been proposed for the reduction of detailed mechanisms. In this project we first plan to implement the Relaxation Redistribution Method (RRM), a novel approach for coping with the numerical solution of the film equation, in a general and efficient code that can be used for the automated reduction and tabulation of detailed reaction mechanism for hydrocarbon combustion. RRM provides accurate reduced descriptions of large dissipative systems, without resorting to a priori assumptions on the minimal number of slow variables. In a second step our highly-scalable parallel code for the simulation of low Mach number reactive flows in complex geometries will be modified so that the reduced descriptions can be readily employed in multi-dimensional modeling of combustion phenomena of fundamental and applied interest.
Direktlink auf Lay Summary Letzte Aktualisierung: 21.02.2013

Verantw. Gesuchsteller/in und weitere Gesuchstellende

Mitarbeitende

Publikationen

Publikation
Spectral Quasi-Equilibrium Manifold for Chemical Kinetics
(2016), Spectral Quasi-Equilibrium Manifold for Chemical Kinetics, in The Journal of Physical Chemistry A, 120(20), 3406-3413.
n-Heptane/air combustion in perfectly stirred reactors: Dynamics, bifurcations and dominant reactions at critical conditions
(2015), n-Heptane/air combustion in perfectly stirred reactors: Dynamics, bifurcations and dominant reactions at critical conditions, in Combustion and Flame, 162(9), 3166 -3179.
Non-perturbative hydrodynamic limits: A case study
(2014), Non-perturbative hydrodynamic limits: A case study, in Physica A, 403, 189-194.
The global relaxation redistribution method for reduction of combustion kinetics
(2014), The global relaxation redistribution method for reduction of combustion kinetics, in The Journal of Chemical Physics , 141(4), 044102-1-044102-13.
Entropy production analysis for mechanism reduction
, Entropy production analysis for mechanism reduction, in Combustion and Flame.

Zusammenarbeit

Gruppe / Person Land
Formen der Zusammenarbeit
Dr. Eliodoro Chiavazzo, Department of Energetics, Politecnico di Torino Italien (Europa)
- vertiefter/weiterführender Austausch von Ansätzen, Methoden oder Resultaten

Wissenschaftliche Veranstaltungen

Aktiver Beitrag

Titel Art des Beitrags Titel des Artikels oder Beitrages Datum Ort Beteiligte Personen
Smart Energy Carriers: Modeling, Data and Data analysis Vortrag im Rahmen einer Tagung Skeletal mechanism construction and chemistry tabulation: energy production analysis and the relaxation redistribution method 05.04.2016 School of Engineering University Federico II, Napoli, Piazzale Tecchio 80 , Italien Boulouchos Konstantinos; Karlin Ilya; Frouzakis Christos; Kooshkbaghi Mahdi;
IEA 36th Task Leaders Meeting Vortrag im Rahmen einer Tagung New Approaches For The Construction Of Reduced And Skeletal Mechanisms 09.06.2014 Stavange, Norwegen Boulouchos Konstantinos; Karlin Ilya; Frouzakis Christos; Kooshkbaghi Mahdi;
4th International Workshop on Model Reduction in Reacting Flows Vortrag im Rahmen einer Tagung Relaxation redistribution method for model reduction 19.06.2013 San Fransisco, Vereinigte Staaten von Amerika Kooshkbaghi Mahdi; Karlin Ilya; Boulouchos Konstantinos; Frouzakis Christos;


Verbundene Projekte

Nummer Titel Start Förderungsinstrument
107885 Invariant manifolds for model reduction in chemical kinetics 01.01.2006 Projektförderung (Abt. I-III)
135514 Direct numerical simulation of flow, heat transfer, and autoignition in engine-like geometries 01.07.2011 Projektförderung (Abt. I-III)

Abstract

Energy conversion systems are today dominated and will for several decades depend very significantly on combustion processes, with biogenic fuels receiving increasing attention. Particularly in transportation systems (internal combustion engines and gas turbines), efficient and “near-zero” pollutant combustion processes can only be designed if complex reaction kinetics and their interaction with thermofluidics can be investigated and understood in depth.The detailed description of combustion chemistry of practical fuels (typically blends of higher hydrocarbons) can include hundreds of species participating in thousands of reactions. For systems of practical interest which are spatially varying in complex geometries and include nontrivial mass, momentum and energy transfer, the use of detailed reactionmechanisms results in models that require excessive computational resources. Therefore, the efficient simulations of reacting systems in two and three spatial dimensions necessitates the development and utilization of accurate simplified descriptions of the chemistry with a small number of species.Different methodologies have been proposed for the reduction of detailed mechanisms. In this project we first plan to implement the Relaxation Redistribution Method (RRM), a novel approach for coping with the numerical solution of the film equation, in a general and efficient code that can be used for the automated reduction and tabulation of detailed reaction mechanism for hydrocarbon combustion. RRM provides accurate reduced descriptions of large dissipative systems, without resorting to a priori assumptions on the minimal number of slow variables. In a second step our highly-scalable parallel code for the simulation of low Mach number reactive flows in complex geometries will be modified so that the reduced descriptions can be readily employed in multi-dimensional modeling of combustion phenomena of fundamental and applied interest. After extensive validation on premixed and non-premixed flames, the modified code will be used to study hydrocarbon combustion in the presence of composition and temperature inhomogeneities at conditions relevant to Homogeneous Charge Compression Ignition (HCCI).
-