Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions

For the multi-dimensional simulation of the engines with advanced compression-ignition combustion strategies, a practical and robust chemical kinetic mechanism is highly demanded. Decoupling methodology is effective for the construction of skeletal mechanisms for long-chain alkanes. To improve the p...

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Main Authors: Yachao eChang, Ming eJia, Yaopeng eLi, Maozhao eXie
Format: Article
Language:English
Published: Frontiers Media S.A. 2015-09-01
Series:Frontiers in Mechanical Engineering
Subjects:
Online Access:http://journal.frontiersin.org/Journal/10.3389/fmech.2015.00011/full
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author Yachao eChang
Ming eJia
Yaopeng eLi
Maozhao eXie
author_facet Yachao eChang
Ming eJia
Yaopeng eLi
Maozhao eXie
author_sort Yachao eChang
collection DOAJ
description For the multi-dimensional simulation of the engines with advanced compression-ignition combustion strategies, a practical and robust chemical kinetic mechanism is highly demanded. Decoupling methodology is effective for the construction of skeletal mechanisms for long-chain alkanes. To improve the performance of the decoupling methodology, further improvements are introduced based on recent theoretical and experimental works. The improvements include: (1) updating the H2/O2 sub-mechanism; (2) refining the rate constants in the HCO/CH3/CH2O sub-mechanism; (3) building a new reduced C2 sub-mechanism; and (4) improving the large-molecule sub-mechanism. With the improved decoupling methodology, a skeletal primary reference fuel (PRF) mechanism is developed. The mechanism is validated against the experimental data in shock tubes, jet-stirred reactors, premixed and counterflow flames for various PRF fuels covering the temperature range of 500–1450 K, the pressure range of 1–55 atm, and the equivalence ratio range of 0.25¬–1.0. Finally, the skeletal mechanism is coupled with a multi-dimensional computational fluid dynamics model to simulate the combustion and emission characteristics of homogeneous charge compression ignition (HCCI) engines fueled with iso-octane and PRF. Overall, the agreements between the experiment and prediction are satisfactory.
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spelling doaj.art-2fc7ee30f3cf45bb851cd4cda2e8c91d2022-12-21T18:24:26ZengFrontiers Media S.A.Frontiers in Mechanical Engineering2297-30792015-09-01110.3389/fmech.2015.00011146527Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditionsYachao eChang0Ming eJia1Yaopeng eLi2Maozhao eXie3Dalian University of TechnologyDalian University of TechnologyDalian University of TechnologyDalian University of TechnologyFor the multi-dimensional simulation of the engines with advanced compression-ignition combustion strategies, a practical and robust chemical kinetic mechanism is highly demanded. Decoupling methodology is effective for the construction of skeletal mechanisms for long-chain alkanes. To improve the performance of the decoupling methodology, further improvements are introduced based on recent theoretical and experimental works. The improvements include: (1) updating the H2/O2 sub-mechanism; (2) refining the rate constants in the HCO/CH3/CH2O sub-mechanism; (3) building a new reduced C2 sub-mechanism; and (4) improving the large-molecule sub-mechanism. With the improved decoupling methodology, a skeletal primary reference fuel (PRF) mechanism is developed. The mechanism is validated against the experimental data in shock tubes, jet-stirred reactors, premixed and counterflow flames for various PRF fuels covering the temperature range of 500–1450 K, the pressure range of 1–55 atm, and the equivalence ratio range of 0.25¬–1.0. Finally, the skeletal mechanism is coupled with a multi-dimensional computational fluid dynamics model to simulate the combustion and emission characteristics of homogeneous charge compression ignition (HCCI) engines fueled with iso-octane and PRF. Overall, the agreements between the experiment and prediction are satisfactory.http://journal.frontiersin.org/Journal/10.3389/fmech.2015.00011/fullSkeletal mechanismHomogeneous charge compression ignition (HCCI)Primary reference fuelDecoupling methodologyignition delay; laminar flame speed
spellingShingle Yachao eChang
Ming eJia
Yaopeng eLi
Maozhao eXie
Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
Frontiers in Mechanical Engineering
Skeletal mechanism
Homogeneous charge compression ignition (HCCI)
Primary reference fuel
Decoupling methodology
ignition delay; laminar flame speed
title Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
title_full Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
title_fullStr Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
title_full_unstemmed Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
title_short Application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel (PRF) mechanism focusing on engine-relevant conditions
title_sort application of the optimized decoupling methodology for the construction of a skeletal primary reference fuel prf mechanism focusing on engine relevant conditions
topic Skeletal mechanism
Homogeneous charge compression ignition (HCCI)
Primary reference fuel
Decoupling methodology
ignition delay; laminar flame speed
url http://journal.frontiersin.org/Journal/10.3389/fmech.2015.00011/full
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AT mingejia applicationoftheoptimizeddecouplingmethodologyfortheconstructionofaskeletalprimaryreferencefuelprfmechanismfocusingonenginerelevantconditions
AT yaopengeli applicationoftheoptimizeddecouplingmethodologyfortheconstructionofaskeletalprimaryreferencefuelprfmechanismfocusingonenginerelevantconditions
AT maozhaoexie applicationoftheoptimizeddecouplingmethodologyfortheconstructionofaskeletalprimaryreferencefuelprfmechanismfocusingonenginerelevantconditions