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User-controlled kinetic network generation with INGen

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TypeOfResource
Text
TitleInfo (ID = T-1)
Title
User-controlled kinetic network generation with INGen
SubTitle
PartName
PartNumber
NonSort
Identifier (displayLabel = ); (invalid = )
ETD_2059
Identifier (type = hdl)
http://hdl.rutgers.edu/1782.2/rucore10001600001.ETD.000051782
Language (objectPart = )
LanguageTerm (authority = ISO639-2); (type = code)
eng
Genre (authority = marcgt)
theses
Subject (ID = SBJ-1); (authority = RUETD)
Topic
Chemical and Biochemical Engineering
Subject (ID = SBJ-2); (authority = ETD-LCSH)
Topic
Chemical engineering--Data processing
Subject (ID = SBJ-3); (authority = ETD-LCSH)
Topic
Application software
Abstract
A new kinetic model building software tool, INGen, was developed to allow, for the first time, large and detailed kinetic models to be built by chemists and chemical engineers without specific expertise in advanced computer programming languages. The creation of INGen put this power in the hands of chemists and chemical engineers by allowing any user the ability to model complex kinetic networks via a logical interface. The advanced theory of chemical reaction mechanisms and the need for extensive programming were thus incorporated into the interface instead of being required to be user supplied. In its tangible form, INGen represents a universal hydrocarbon model builder capable of producing pathways and mechanistic models for acid, metal, and free radical type chemistries. Mechanistically inclined pathways offer users more information and control over carbenium ion transitions for the PCP isomerization and cracking of paraffins. The user interface lies within the Microsoft Excel framework for quick tabulation and analysis of results, and ties strongly to CambridgeSoft’s ChemDraw software for ease of species creation and structure analysis. INGen thus represents a paradigm shift in the development of molecule based modeling techniques.
PhysicalDescription
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electronic resource
Extent
ix, 142 p. : ill.
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application/pdf
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text/xml
Note (type = degree)
Ph.D.
Note (type = bibliography)
Includes bibliographical references
Note (type = statement of responsibility)
by Craig Allen Bennett
Name (ID = NAME-1); (type = personal)
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Bennett
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Craig Allen
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author
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Craig Allen Bennett
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Klein
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Michael
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chair
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Advisory Committee
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Michael T Klein
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Glasser
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Benjamin
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internal member
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Advisory Committee
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Benjamin J Glasser
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Roth
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Charles
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internal member
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Advisory Committee
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Charles M Roth
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Saeger
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Roland
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outside member
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Advisory Committee
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Roland B Saeger
Name (ID = NAME-1); (type = corporate)
NamePart
Rutgers University
Role
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degree grantor
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Graduate School - New Brunswick
Role
RoleTerm (authority = RULIB); (type = )
school
OriginInfo
DateCreated (point = ); (qualifier = exact)
2009
DateOther (qualifier = exact); (type = degree)
2009-10
Place
PlaceTerm (type = code)
xx
RelatedItem (type = host)
TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier (type = RULIB)
ETD
RelatedItem (type = host)
TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier (type = local)
rucore19991600001
Location
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NjNbRU
Identifier (type = doi)
doi:10.7282/T3J103B4
Genre (authority = ExL-Esploro)
ETD doctoral
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Rights

RightsDeclaration (AUTHORITY = GS); (ID = rulibRdec0006)
The author owns the copyright to this work
Copyright
Status
Copyright protected
Notice
Note
Availability
Status
Open
Reason
Permission or license
Note
RightsHolder (ID = PRH-1); (type = personal)
Name
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Bennett
GivenName
Craig
Role
Copyright holder
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Place
DateTime
Detail
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Name
Craig Bennett
Affiliation
Rutgers University. Graduate School - New Brunswick
AssociatedObject (ID = AO-1); (AUTHORITY = rulib)
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.
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Technical

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ETD
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application/pdf
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application/x-tar
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9328640
Checksum (METHOD = SHA1)
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