Model reduction and mechanism comparison of hydrogen/oxygen auto-ignition

被引:5
作者
Bykov, Viatcheslav [1 ]
Yu, Chunkan [1 ]
Gol'dshtein, Vladimir [2 ]
Maas, Ulrich [1 ]
机构
[1] Karlsruhe Inst Technol, Inst Tech Thermodynam, Engelbert Arnold Str 4,Geb 10-91, D-76131 Karlsruhe, Germany
[2] Ben Gurion Univ Negev, Dept Math, POB 653, IL-84105 Beer Sheva, Israel
关键词
Model reduction; Auto-ignition problem; Chemical kinetics; GQL; CHEMISTRY;
D O I
10.1016/j.proci.2018.06.189
中图分类号
O414.1 [热力学];
学科分类号
摘要
The problem of reduced kinetic models for auto-ignition is revisited. The hydrogen-air system is considered in a wide range of system parameters and initial conditions. The Global Quasi-Linearization (GQL) method is implemented to study the slow/fast time scale separation. Accordingly, the rate equations can be split into evolution equations for the fast and slow sub-systems. It is shown that in this way reduced models reproduce the detailed kinetics with a high accuracy. Furthermore, it is shown, that the obtained invariant subspaces are weakly sensitive to the specific kinetic mechanisms. This means that results obtained for one kinetic mechanism can be applied to devise reduced schemes for other detailed mechanisms. This is verified by using the GQL from one specific mechanism for model reduction of five other well known detailed hydrogen/oxygen mechanisms. Although it is demonstrated for the hydrogen/oxygen mechanism as an example, this model reduction method can be applied to other complex combustion mechanisms without principle difficulties. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
引用
收藏
页码:781 / 787
页数:7
相关论文
共 38 条
[1]  
[Anonymous], 2005, 4 JOINT M US SECT CO
[2]  
Bodenstein M., 1913, Z PHYS CHEM, V85U, P329, DOI DOI 10.1515/ZPCH-1913-8512
[3]   Simple global reduction technique based on decomposition approach [J].
Bykov, V. ;
Gol'dshtein, V. ;
Maas, U. .
COMBUSTION THEORY AND MODELLING, 2008, 12 (02) :389-405
[4]   The extension of the ILDM concept to reaction-diffusion manifolds [J].
Bykov, V. ;
Maas, U. .
COMBUSTION THEORY AND MODELLING, 2007, 11 (06) :839-862
[5]   Investigation of the Hierarchical Structure of Kinetic Models in Ignition Problems [J].
Bykov, V. ;
Maas, U. .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2009, 223 (4-5) :461-479
[6]   Micro- and macro-kinetics: their relationship in heterogeneous catalysis [J].
Campbell, Charles T. .
TOPICS IN CATALYSIS, 1994, 1 (3-4) :353-366
[7]  
Chapman D., 1913, J CHEM SOC T, V103, P496, DOI DOI 10.1039/CT9130300496
[8]   ONE-STEP AND EXTRAPOLATION METHODS FOR DIFFERENTIAL-ALGEBRAIC SYSTEMS [J].
DEUFLHARD, P ;
HAIRER, E ;
ZUGCK, J .
NUMERISCHE MATHEMATIK, 1987, 51 (05) :501-516
[9]  
Dibble, 2012, COMBUSTION
[10]   Analyses of reaction schemes using De Donder relations [J].
Dumesic, JA .
JOURNAL OF CATALYSIS, 1999, 185 (02) :496-505