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Design and testing of mesoscale models of industrial surfactants by dissipative particle dynamics
Descriptive
TitleInfo
Title
Design and testing of mesoscale models of industrial surfactants by dissipative particle dynamics
Name
(type = personal)
NamePart
(type = family)
Mao
NamePart
(type = given)
Runfang
DisplayForm
Runfang Mao
Role
RoleTerm
(authority = RULIB)
author
Name
(type = personal)
NamePart
(type = family)
Neimark
NamePart
(type = given)
Alexander V.
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Alexander V. Neimark
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
chair
Name
(type = personal)
NamePart
(type = family)
Vishnyakov
NamePart
(type = given)
Aleksey
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Aleksey Vishnyakov
Affiliation
Advisory Committee
Role
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internal member
Name
(type = personal)
NamePart
(type = family)
Chiew
NamePart
(type = given)
Yee C.
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Yee C. Chiew
Affiliation
Advisory Committee
Role
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internal member
Name
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NamePart
Rutgers University
Role
RoleTerm
(authority = RULIB)
degree grantor
Name
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NamePart
Graduate School - New Brunswick
Role
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school
TypeOfResource
Text
Genre
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theses
OriginInfo
DateCreated
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(qualifier = exact)
2016
DateOther
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(type = degree)
2016-01
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2016
Place
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(type = code)
xx
Language
LanguageTerm
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(type = code)
eng
Abstract
(type = abstract)
Dissipative particle dynamics simulation with novel model is applied to predict aggregation in ionic surfactants. Anionic surfactant sodium dodecyl sulfate (SDS) and cationic surfactant cetyl trimethyl ammonium bromide (CTAB) are chosen as characteristic examples. Coarse-grained models are constructed from infinite dilution activity coefficient in reference solutions and atomistic simulations. Ionic groups are modeled as beads with charges distributed around the bead centers and placed in implicit dielectric medium. The model of ionic surfactant semi-quantitatively reproduces the dependence of self-assembly in solutions of CTAB and SDS on surfactant concentration, the molarity of added electrolyte. In particular, the decline of the free surfactant concentration with increasing total surfactant loading, as well as the aggregation transition in single-component surfactant cause by salt addition are predicted correctly. Addition of CTAB to a micellar solution of SDS causes a transition to worm-like micelles and then to mini-vesicles. This systematic methodology has been further extended to carbopol system. A stable carbopol film has been observed after equilibrium based on this model. Further investigation to study rheology of surfactant-carbopol system are required in future work, like add surfactant into this system.
Subject
(authority = RUETD)
Topic
Chemical and Biochemical Engineering
RelatedItem
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TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier
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ETD
Identifier
ETD_6970
PhysicalDescription
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electronic resource
InternetMediaType
application/pdf
InternetMediaType
text/xml
Note
Supplementary File: ACS reprint permission
Extent
1 online resource (vii, 33 p. : ill.)
Note
(type = degree)
M.S.
Note
(type = bibliography)
Includes bibliographical references
Subject
(authority = ETD-LCSH)
Topic
Energy dissipation
Subject
(authority = ETD-LCSH)
Topic
Fluid dynamics
Subject
(authority = ETD-LCSH)
Topic
Surface active agents
Note
(type = statement of responsibility)
by Runfang Mao
RelatedItem
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TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier
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rucore19991600001
Location
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(displayLabel = Rutgers, The State University of New Jersey)
NjNbRU
Identifier
(type = doi)
doi:10.7282/T3BG2R2S
Genre
(authority = ExL-Esploro)
ETD graduate
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Rights
RightsDeclaration
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The author owns the copyright to this work.
RightsHolder
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Name
FamilyName
Mao
GivenName
Runfang
Role
Copyright Holder
RightsEvent
Type
Permission or license
DateTime
(encoding = w3cdtf);
(qualifier = exact);
(point = start)
2016-01-07 17:04:56
AssociatedEntity
Name
Runfang Mao
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
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ContentModel
ETD
OperatingSystem
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windows xp
RULTechMD
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ETD
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