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Article: Electropolymerization of pyrrole on PAN-based carbon fibers: Experimental observations and a multiscale modeling approach

TitleElectropolymerization of pyrrole on PAN-based carbon fibers: Experimental observations and a multiscale modeling approach
Authors
KeywordsCarbon Fibers
Diffusion Limited Agrregation (Dla)
Electropolymerization
Monte Carlo
Multiscale Modeling
Pyrrole
Surface Treatment
Issue Date2001
PublisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/ces
Citation
Chemical Engineering Science, 2001, v. 56 n. 23, p. 6563-6575 How to Cite?
AbstractAqueous electropolymerization of pyrrole on PAN-based carbon fibers has been investigated. Using experimental data obtained from gravimetric analysis and scanning electron microscopy (SEM), a continuum-level electrokinetic-diffusion model has been developed. For short time, the coating process is reaction-limited. Consequently the weight gain increases linearly with time. However, as the reaction time is increased, the weight gain becomes proportional to the square root of time suggesting that diffusion of the monomer onto the reactive sites of the growing aggregates becomes the controlling mechanism. These observations motivated a multiscale approach for the simulation of mesoscopic coating morphology in a model process where the monomers diffuse to a heterogeneous surface that consists of growing surface-bound polymetric chains with reacting ends. A diffusion-limited, aggregation (DLA)-based approach is used to derive transition probabilities consistent with continuum-level conservation principles and used in lattice Monte Carlo simulations. This approach is illustrated for two-dimensional lattices. The scaling laws obtained for this process such as the thickness of the coating as a function of the number of particles are compared with those for classical DLA. The influence of effective diffusion coefficient and reaction rate constant on the surface coverage, maximum and bulk values of coating density, as well as the boundary layer thickness, is examined in detail. © 2001 Elsevier Science Ltd. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/90928
ISSN
2015 Impact Factor: 2.75
2015 SCImago Journal Rankings: 1.073
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorLin, Ben_HK
dc.contributor.authorSureshkumar, Ren_HK
dc.contributor.authorKardos, JLen_HK
dc.date.accessioned2010-09-17T10:10:29Z-
dc.date.available2010-09-17T10:10:29Z-
dc.date.issued2001en_HK
dc.identifier.citationChemical Engineering Science, 2001, v. 56 n. 23, p. 6563-6575en_HK
dc.identifier.issn0009-2509en_HK
dc.identifier.urihttp://hdl.handle.net/10722/90928-
dc.description.abstractAqueous electropolymerization of pyrrole on PAN-based carbon fibers has been investigated. Using experimental data obtained from gravimetric analysis and scanning electron microscopy (SEM), a continuum-level electrokinetic-diffusion model has been developed. For short time, the coating process is reaction-limited. Consequently the weight gain increases linearly with time. However, as the reaction time is increased, the weight gain becomes proportional to the square root of time suggesting that diffusion of the monomer onto the reactive sites of the growing aggregates becomes the controlling mechanism. These observations motivated a multiscale approach for the simulation of mesoscopic coating morphology in a model process where the monomers diffuse to a heterogeneous surface that consists of growing surface-bound polymetric chains with reacting ends. A diffusion-limited, aggregation (DLA)-based approach is used to derive transition probabilities consistent with continuum-level conservation principles and used in lattice Monte Carlo simulations. This approach is illustrated for two-dimensional lattices. The scaling laws obtained for this process such as the thickness of the coating as a function of the number of particles are compared with those for classical DLA. The influence of effective diffusion coefficient and reaction rate constant on the surface coverage, maximum and bulk values of coating density, as well as the boundary layer thickness, is examined in detail. © 2001 Elsevier Science Ltd. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/cesen_HK
dc.relation.ispartofChemical Engineering Scienceen_HK
dc.subjectCarbon Fibersen_HK
dc.subjectDiffusion Limited Agrregation (Dla)en_HK
dc.subjectElectropolymerizationen_HK
dc.subjectMonte Carloen_HK
dc.subjectMultiscale Modelingen_HK
dc.subjectPyrroleen_HK
dc.subjectSurface Treatmenten_HK
dc.titleElectropolymerization of pyrrole on PAN-based carbon fibers: Experimental observations and a multiscale modeling approachen_HK
dc.typeArticleen_HK
dc.identifier.emailLin, B:blin@hku.hken_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0009-2509(01)00313-Xen_HK
dc.identifier.scopuseid_2-s2.0-0035977082en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035977082&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume56en_HK
dc.identifier.issue23en_HK
dc.identifier.spage6563en_HK
dc.identifier.epage6575en_HK
dc.identifier.isiWOS:000172757000008-

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