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Acta Phys. Chim. Sin.  2013, Vol. 29 Issue (12): 2523-2533    DOI: 10.3866/PKU.WHXB201310161
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY     
Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type
PANG Bin, XIE Mao-Zhao, JIA Ming, LIU Yao-Dong
Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian 116023, Liaoning Province, P. R. China
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Abstract  

Integration of a skeletal polycyclic aromatic hydrocarbon (PAH) model with a toluene reference fuel (TRF) oxidation model was used to develop a skeletal TRF-PAH model. A phenomenological soot model, coupled with the new TRF-PAH model, was modified based on the experimental observation that fuels with different molecular structures produce PAHs and soot in different ways. The new TRF-PAH model was validated against experimental data for the relevant PAHs for the oxidation/pyrolysis of toluene in a jet-stirred reactor, flow reactor, and shock tube. The results show that the PAH model can reproduce the experimental data for the major species concentrations. The predicted benzene concentration in the oxidation of alkanes and aromatic hydrocarbons indicates that the molecular structure of the fuel significantly affects the PAH formation pathway. The improved soot model was validated against measured soot yields from the pyrolysis of toluene, toluene/n-heptane mixtures, and toluene/isooctane mixtures in a shock tube, as well as toluene oxidation. The results show that the predicted soot yields obtained using the new soot model are in reasonable agreement with the experimental data over a wide operating range. Finally, the soot model was used to predict the soot emissions from a diesel engine fueled with TRF20. The results indicate that the TRF-PAH combustion model and the new soot model can reproduce the combustion and emission characteristics well.



Key wordsToluene reference fuel      Polycyclic aromatic hydrocarbon      Phenomenological soot model      Chemical kinetic model      Direct-injection diesel engine     
Received: 11 July 2013      Published: 16 October 2013
MSC2000:  O643  
Fund:  

The project was supported by the National Natural Science Foundation of China (51176020, 51176021) and General Motors Global R&D, USA (GM024705-NV584).

Corresponding Authors: JIA Ming     E-mail: jiaming@dlut.edu.cn
Cite this article:

PANG Bin, XIE Mao-Zhao, JIA Ming, LIU Yao-Dong. Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type. Acta Phys. Chim. Sin., 2013, 29(12): 2523-2533.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB201310161     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2013/V29/I12/2523

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