Combustion kinetic model development using surrogate model similarity method

被引:25
作者
Wang, Jiaxing [1 ,2 ,3 ]
Li, Shuang [1 ,2 ,4 ]
Yang, Bin [1 ,2 ,3 ]
机构
[1] Tsinghua Univ, Ctr Combust Energy, Beijing, Peoples R China
[2] Tsinghua Univ, Dept Energy & Power Engn, Beijing, Peoples R China
[3] Tsinghua Univ, Key Lab Thermal Sci & Power Engn, MOE, Beijing, Peoples R China
[4] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei, Anhui, Peoples R China
基金
中国国家自然科学基金;
关键词
combustion kinetic model; model optimisation; surrogate model similarity; HDMR; experimental design; SHOCK-TUBE; UNCERTAINTY QUANTIFICATION; EXPERIMENTAL-DESIGN; GLOBAL SENSITIVITY; OPTIMIZATION; MECHANISM; HYDROGEN; OXIDATION; IGNITION; METHANOL;
D O I
10.1080/13647830.2018.1454607
中图分类号
O414.1 [热力学];
学科分类号
摘要
An ideal combustion kinetic model needs to be validated by different experimental targets over a wide range of temperatures and pressures that represent operating conditions in real engines. However, conditions of laboratory experiments for model validation are often limited by the constraint of experimental techniques. In order to improve model predictions under certain conditions (for example, at a relatively higher pressure), it is often needed to use the experimental data obtained under other conditions. In this work, the surrogate model similarity (SMS) method is proposed to find the experimental conditions or targets for model optimisation under certain conditions where the experiments are hard to be conducted. The similarity coefficient is calculated by the cosine similarity between the characteristic coefficients (vectors) of the High Dimensional Model Representation (HDMR) models for different model predictions. A larger similarity coefficient represents a closer relationship between two model predictions. The experimental data with larger similarity coefficients could be more effective to model uncertainty reduction under the concerned conditions. To demonstrate this method, simulations were conducted for two selected combustion systems with hydrogen or methanol as the fuel. In addition to its strength in available experimental data selection for model optimization, this method can be used to screen out experimental targets with strong constraint effect beforehand, thus providing an effective way to maximise utilisation of experimental resources.
引用
收藏
页码:777 / 794
页数:18
相关论文
共 67 条
[1]   Efficient implementation of high dimensional model representations [J].
Alis, ÖF ;
Rabitz, H .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2001, 29 (02) :127-142
[2]   Rate Constants for Hydrogen Abstraction Reactions by the Hydroperoxyl Radical from Methanol, Ethenol, Acetaldehyde, Toluene, and Phenol [J].
Altarawneh, Mohammednoor ;
Al-Muhtaseb, Ala'A H. ;
Dlugogorski, Bogdan Z. ;
Kennedy, Eric M. ;
Mackie, John C. .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (08) :1725-1733
[3]  
[Anonymous], 2008, Engineering Design Via Surrogate Modelling: A Practical Guide
[4]   Artificial neural networks: fundamentals, computing, design, and application [J].
Basheer, IA ;
Hajmeer, M .
JOURNAL OF MICROBIOLOGICAL METHODS, 2000, 43 (01) :3-31
[5]   Evaluated kinetic data for combustion modeling: Supplement II [J].
Baulch, DL ;
Bowman, CT ;
Cobos, CJ ;
Cox, RA ;
Just, T ;
Kerr, JA ;
Pilling, MJ ;
Stocker, D ;
Troe, J ;
Tsang, W ;
Walker, RW ;
Warnatz, J .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2005, 34 (03) :757-1397
[6]   Bayesian analysis of syngas chemistry models [J].
Braman, Kalen ;
Oliver, Todd A. ;
Raman, Venkat .
COMBUSTION THEORY AND MODELLING, 2013, 17 (05) :858-887
[7]   A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation [J].
Burke, Ultan ;
Metcalfe, Wayne K. ;
Burke, Sinead M. ;
Heufer, K. Alexander ;
Dagaut, Philippe ;
Curran, Henry J. .
COMBUSTION AND FLAME, 2016, 165 :125-136
[8]   Bayesian experimental design: A review [J].
Chaloner, K ;
Verdinelli, I .
STATISTICAL SCIENCE, 1995, 10 (03) :273-304
[9]   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
[10]   Experimental and detailed kinetic modeling study of the high pressure oxidation of methanol sensitized by nitric oxide and nitrogen dioxide [J].
Dayma, Guillaume ;
Hadj, Kamal ;
Ali, Kamal Hadj ;
Dagaut, Philippe .
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2007, 31 (411-418) :411-418