Adjoint-based sensitivity analysis of quantities of interest of complex combustion models

被引:31
作者
Lemke, Mathias [1 ]
Cai, Liming [2 ]
Reiss, Julius [1 ]
Pitsch, Heinz [2 ]
Sesterhenn, Joern [1 ]
机构
[1] Tech Univ Berlin, Inst Stromungsmech & Tech Akustik, Berlin, Germany
[2] Rhein Westfal TH Aachen, Inst Combust Technol, Aachen, Germany
关键词
complex reaction kinetics; sensitivity analysis; adjoint approach; GREENS-FUNCTION METHOD; CHEMICAL KINETIC SYSTEMS; DECOUPLED DIRECT METHOD; GAS-PHASE; N-HEPTANE; REDUCTION; IGNITION; KPP;
D O I
10.1080/13647830.2018.1495845
中图分类号
O414.1 [热力学];
学科分类号
摘要
An adjoint-based approach for the sensitivity analysis of complex reaction mechanisms is presented. It builds purely on the evaluation of the governing equations. No adjoint equations have to be derived explicitly. Instead, the required adjoint operator is constructed numerically. The approach can be utilised for various kinetic models and in existing codes with minimal implementation effort. All dependencies on the state and on model parameters are fully evaluated without simplifications. Sensitivities are calculated more efficiently and more robustly compared with the often-used brute-force method. The approach is demonstrated for a homogeneous (zero-dimensional) reactor with different complex reaction mechanisms including several reaction types.
引用
收藏
页码:180 / 196
页数:17
相关论文
共 34 条
[1]  
[Anonymous], 2014, ANAL KINETIC REACTIO
[2]  
BORGER I, 1992, ACTA CHIM HUNG, V129, P855
[3]   Adjoint-based sensitivity analysis of flames [J].
Braman, Kalen ;
Oliver, Todd A. ;
Raman, Venkat .
COMBUSTION THEORY AND MODELLING, 2015, 19 (01) :29-56
[4]   An experimental and modeling study of n-octanol combustion [J].
Cai, Liming ;
Uygun, Yasar ;
Togbe, Casimir ;
Pitsch, Heinz ;
Olivier, Herbert ;
Dagaut, Philippe ;
Sarathy, S. Mani .
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2015, 35 :419-427
[5]   Chemical kinetic study of a novel lignocellulosic biofuel: Di-n-butyl ether oxidation in a laminar flow reactor and flames [J].
Cai, Liming ;
Sudholt, Alena ;
Lee, Dong Joon ;
Egolfopoulos, Fokion N. ;
Pitsch, Heinz ;
Westbrook, Charles K. ;
Sarathy, S. Mani .
COMBUSTION AND FLAME, 2014, 161 (03) :798-809
[6]   A comprehensive modeling study of n-heptane oxidation [J].
Curran, HJ ;
Gaffuri, P ;
Pitz, WJ ;
Westbrook, CK .
COMBUSTION AND FLAME, 1998, 114 (1-2) :149-177
[7]   Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: II - Numerical validation and applications [J].
Daescu, DN ;
Sandu, A ;
Carmichael, GR .
ATMOSPHERIC ENVIRONMENT, 2003, 37 (36) :5097-5114
[8]   A new approach to response surface development for detailed gas-phase and surface reaction kinetic model optimization [J].
Davis, SG ;
Mhadeshwar, AB ;
Vlachos, DG ;
Wang, H .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2004, 36 (02) :94-106
[9]   CHEMICAL KINETIC FUNCTIONAL SENSITIVITY ANALYSIS - DERIVED SENSITIVITIES AND GENERAL APPLICATIONS [J].
DEMIRALP, M ;
RABITZ, H .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (04) :1810-1819
[10]   COMPUTATIONAL ALGORITHM FOR THE GREEN-FUNCTION METHOD OF SENSITIVITY ANALYSIS IN CHEMICAL-KINETICS [J].
DOUGHERTY, EP ;
RABITZ, H .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1979, 11 (12) :1237-1248