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Title: A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications

Abstract

A mixture of n-dodecane and m-xylene is investigated as a diesel fuel surrogate for compression ignition engine applications. Compared to neat n-dodecane, this binary mixture is more representative of diesel fuel because it contains an alkyl-benzene which represents an important chemical class present in diesel fuels. A detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining a previously developed n-dodecane mechanism with a recently developed mechanism for xylenes. The xylene mechanism is shown to reproduce experimental ignition data from a rapid compression machine and shock tube, speciation data from the jet stirred reactor and flame speed data. This combined mechanism was validated by comparing predictions from the model with experimental data for ignition in shock tubes and for reactivity in a flow reactor. The combined mechanism, consisting of 2885 species and 11754 reactions, was reduced to a skeletal mechanism consisting 163 species and 887 reactions for 3D diesel engine simulations. The mechanism reduction was performed using directed relation graph (DRG) with expert knowledge (DRG-X) and DRG-aided sensitivity analysis (DRGASA) at a fixed fuel composition of 77% of n-dodecane and 23% m-xylene by volume. The sample space for the reduction covered pressure of 1 – 80 bar, equivalence ratiomore » of 0.5 – 2.0, and initial temperature of 700 – 1600 K for ignition. The skeletal mechanism was compared with the detailed mechanism for ignition and flow reactor predictions. Finally, the skeletal mechanism was validated against a spray flame dataset under diesel engine conditions documented on the Engine Combustion Network (ECN) website. These multi-dimensional simulations were performed using a Representative Interactive Flame (RIF) turbulent combustion model. Encouraging results were obtained compared to the experiments with regards to the predictions of ignition delay and lift-off length at different ambient temperatures.« less

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE) - Office of Vehicle Technology
OSTI Identifier:
1237906
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Journal of Engineering for Gas Turbines and Power
Additional Journal Information:
Journal Volume: 137; Journal Issue: 11; Journal ID: ISSN 0742-4795
Publisher:
ASME
Country of Publication:
United States
Language:
English
Subject:
33 ADVANCED PROPULSION SYSTEMS

Citation Formats

Pei, Yuanjiang, Mehl, Marco, Liu, Wei, Lu, Tianfeng, Pitz, William J., and Som, Sibendu. A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications. United States: N. p., 2015. Web. doi:10.1115/1.4030416.
Pei, Yuanjiang, Mehl, Marco, Liu, Wei, Lu, Tianfeng, Pitz, William J., & Som, Sibendu. A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications. United States. doi:10.1115/1.4030416.
Pei, Yuanjiang, Mehl, Marco, Liu, Wei, Lu, Tianfeng, Pitz, William J., and Som, Sibendu. Tue . "A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications". United States. doi:10.1115/1.4030416.
@article{osti_1237906,
title = {A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications},
author = {Pei, Yuanjiang and Mehl, Marco and Liu, Wei and Lu, Tianfeng and Pitz, William J. and Som, Sibendu},
abstractNote = {A mixture of n-dodecane and m-xylene is investigated as a diesel fuel surrogate for compression ignition engine applications. Compared to neat n-dodecane, this binary mixture is more representative of diesel fuel because it contains an alkyl-benzene which represents an important chemical class present in diesel fuels. A detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining a previously developed n-dodecane mechanism with a recently developed mechanism for xylenes. The xylene mechanism is shown to reproduce experimental ignition data from a rapid compression machine and shock tube, speciation data from the jet stirred reactor and flame speed data. This combined mechanism was validated by comparing predictions from the model with experimental data for ignition in shock tubes and for reactivity in a flow reactor. The combined mechanism, consisting of 2885 species and 11754 reactions, was reduced to a skeletal mechanism consisting 163 species and 887 reactions for 3D diesel engine simulations. The mechanism reduction was performed using directed relation graph (DRG) with expert knowledge (DRG-X) and DRG-aided sensitivity analysis (DRGASA) at a fixed fuel composition of 77% of n-dodecane and 23% m-xylene by volume. The sample space for the reduction covered pressure of 1 – 80 bar, equivalence ratio of 0.5 – 2.0, and initial temperature of 700 – 1600 K for ignition. The skeletal mechanism was compared with the detailed mechanism for ignition and flow reactor predictions. Finally, the skeletal mechanism was validated against a spray flame dataset under diesel engine conditions documented on the Engine Combustion Network (ECN) website. These multi-dimensional simulations were performed using a Representative Interactive Flame (RIF) turbulent combustion model. Encouraging results were obtained compared to the experiments with regards to the predictions of ignition delay and lift-off length at different ambient temperatures.},
doi = {10.1115/1.4030416},
journal = {Journal of Engineering for Gas Turbines and Power},
issn = {0742-4795},
number = 11,
volume = 137,
place = {United States},
year = {2015},
month = {5}
}