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Combustion characterization and kinetic modeling in reactive flow simulations

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TitleInfo
Title
Combustion characterization and kinetic modeling in reactive flow simulations
Name (type = personal)
NamePart (type = family)
Zhang
NamePart (type = given)
Shuliang
NamePart (type = date)
1984-
DisplayForm
Shuliang Zhang
Role
RoleTerm (authority = RULIB)
author
Name (type = personal)
NamePart (type = family)
Ierapetritou
NamePart (type = given)
Marianthi G
DisplayForm
Marianthi G Ierapetritou
Affiliation
Advisory Committee
Role
RoleTerm (authority = RULIB)
chair
Name (type = personal)
NamePart (type = family)
Androulakis
NamePart (type = given)
Ioannis P
DisplayForm
Ioannis P Androulakis
Affiliation
Advisory Committee
Role
RoleTerm (authority = RULIB)
internal member
Name (type = personal)
NamePart (type = family)
Shapley
NamePart (type = given)
Nina
DisplayForm
Nina Shapley
Affiliation
Advisory Committee
Role
RoleTerm (authority = RULIB)
internal member
Name (type = personal)
NamePart (type = family)
Tse
NamePart (type = given)
Stephen
DisplayForm
Stephen Tse
Affiliation
Advisory Committee
Role
RoleTerm (authority = RULIB)
outside member
Name (type = corporate)
NamePart
Rutgers University
Role
RoleTerm (authority = RULIB)
degree grantor
Name (type = corporate)
NamePart
Graduate School - New Brunswick
Role
RoleTerm (authority = RULIB)
school
TypeOfResource
Text
Genre (authority = marcgt)
theses
OriginInfo
DateCreated (qualifier = exact)
2014
DateOther (qualifier = exact); (type = degree)
2014-10
CopyrightDate (encoding = w3cdtf)
2014
Place
PlaceTerm (type = code)
xx
Language
LanguageTerm (authority = ISO639-2b); (type = code)
eng
Abstract (type = abstract)
The primary objective of this research is to characterize fuel combustion in reactive flow simulations using advanced kinetic modeling and mechanism reduction tools. Since incorporating detailed chemical kinetic model in the realistic reactive flow simulations is a computationally challenging task due to the large size of detailed kinetic mechanism, it is of great interest to develop approaches for simplifying the kinetic models and reducing computational costs in reactive flow simulations. In this dissertation, we first extend the previously developed on-the-fly reduction approach to the characterization of complex biodiesel combustion using detailed biodiesel surrogate mechanism. Major combustion characteristics such as ignition, emission, as well as engine performance for biodiesel compared with conventional fossil fuels are studied. Although the incorporation of detailed biodiesel combustion mechanism in complex reactive flow simulation is enabled, the simulation is still highly time-consuming. To further alleviate the computational intensity, a hybrid reduction scheme coupling the on-the-fly reduction with global quasi-steady-state approximation (QSSA) is developed. The proposed hybrid reduction scheme is demonstrated in various reactive flow simulations including zero-dimensional PFR model, multidimensional HCCI engine CFD model, and realistic gas phase injector CFD simulations. A flux-based quasi-steady-state (QSS) species selection procedure is introduced to facilitate the demonstration of hybrid scheme. Finally, a novel computational framework integrating automated mechanism generation and on-the-fly reduction is proposed and implemented using a stepwise integration. The proposed framework is then demonstrated in methane oxidation case studies and shows a new way of conducting reactive flow simulation without having an actual mechanism before the simulation starts. The integration of automated mechanism generation and on-the-fly reduction is a promising technique to perform reactive flow simulations and has the potential to reduce the computational cost of the simulations. The work in this dissertation provides powerful tools and important insight for the incorporation of detailed chemical kinetics in the reactive flow simulations.
Subject (authority = RUETD)
Topic
Chemical and Biochemical Engineering
RelatedItem (type = host)
TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier (type = RULIB)
ETD
Identifier
ETD_5698
PhysicalDescription
Form (authority = gmd)
electronic resource
InternetMediaType
application/pdf
InternetMediaType
text/xml
Extent
1 online resource (xi, 97 p. : ill.)
Note (type = degree)
Ph.D.
Note (type = bibliography)
Includes bibliographical references
Subject (authority = ETD-LCSH)
Topic
Combustion
Subject (authority = ETD-LCSH)
Topic
Biodiesel fuels
Note (type = statement of responsibility)
by Shuliang Zhang
RelatedItem (type = host)
TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier (type = local)
rucore19991600001
Location
PhysicalLocation (authority = marcorg); (displayLabel = Rutgers, The State University of New Jersey)
NjNbRU
Identifier (type = doi)
doi:10.7282/T3Q52R7B
Genre (authority = ExL-Esploro)
ETD doctoral
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Rights

RightsDeclaration (ID = rulibRdec0006)
The author owns the copyright to this work.
RightsHolder (type = personal)
Name
FamilyName
Zhang
GivenName
Shuliang
Role
Copyright Holder
RightsEvent
Type
Permission or license
DateTime (encoding = w3cdtf); (qualifier = exact); (point = start)
2014-05-22 17:17:31
AssociatedEntity
Name
Shuliang Zhang
Role
Copyright holder
Affiliation
Rutgers University. Graduate School - New Brunswick
AssociatedObject
Type
License
Name
Author Agreement License
Detail
I hereby grant to the Rutgers University Libraries and to my school the non-exclusive right to archive, reproduce and distribute my thesis or dissertation, in whole or in part, and/or my abstract, in whole or in part, in and from an electronic format, subject to the release date subsequently stipulated in this submittal form and approved by my school. I represent and stipulate that the thesis or dissertation and its abstract are my original work, that they do not infringe or violate any rights of others, and that I make these grants as the sole owner of the rights to my thesis or dissertation and its abstract. I represent that I have obtained written permissions, when necessary, from the owner(s) of each third party copyrighted matter to be included in my thesis or dissertation and will supply copies of such upon request by my school. I acknowledge that RU ETD and my school will not distribute my thesis or dissertation or its abstract if, in their reasonable judgment, they believe all such rights have not been secured. I acknowledge that I retain ownership rights to the copyright of my work. I also retain the right to use all or part of this thesis or dissertation in future works, such as articles or books.
Copyright
Status
Copyright protected
Availability
Status
Open
Reason
Permission or license
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Technical

RULTechMD (ID = TECHNICAL1)
ContentModel
ETD
OperatingSystem (VERSION = 5.1)
windows xp
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