Hauptseite > Publikationsdatenbank > Polymer conformations in ionic microgels in the presence of salt: Theoretical and mesoscale simulation results > print

001     826047
005     20210129225516.0
024 7 _ |a 10.3390/polym9010015
|2 doi
024 7 _ |a 2128/13419
|2 Handle
024 7 _ |a WOS:000396471000013
|2 WOS
024 7 _ |a altmetric:15241280
|2 altmetric
037 _ _ |a FZJ-2017-00316
082 _ _ |a 540
100 1 _ |a Kobayashi, Hideki
|0 P:(DE-Juel1)136926
|b 0
245 _ _ |a Polymer conformations in ionic microgels in the presence of salt: Theoretical and mesoscale simulation results
260 _ _ |a Basel
|c 2017
|b MDPI
336 7 _ |a article
|2 DRIVER
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1485241056_15327
|2 PUB:(DE-HGF)
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a Journal Article
|0 0
|2 EndNote
520 _ _ |a We investigate the conformational properties of polymers in ionic microgels in the presence of salt ions by molecular dynamics simulations and analytical theory. A microgel particle consists of coarse-grained linear polymers, which are tetra-functionally crosslinked. Counterions and salt ions are taken into account explicitly, and charge-charge interactions are described by the Coulomb potential. By varying the charge interaction strength and salt concentration, we characterize the swelling of the polyelectrolytes and the charge distribution. In particular, we determine the amount of trapped mobile charges inside the microgel and the Debye screening length. Moreover, we analyze the polymer extension theoretically in terms of the tension blob model taking into account counterions and salt ions implicitly by the Debye–Hückel model. Our studies reveal a strong dependence of the amount of ions absorbed in the interior of the microgel on the electrostatic interaction strength, which is related to the degree of the gel swelling. This implies a dependence of the inverse Debye screening length κ on the ion concentration; we find a power-law increase of κ with the Coulomb interaction strength with the exponent 3/5 for a salt-free microgel and an exponent 1/2 for moderate salt concentrations. Additionally, the radial dependence of polymer conformations and ion distributions is addressed
536 _ _ |a 551 - Functional Macromolecules and Complexes (POF3-551)
|0 G:(DE-HGF)POF3-551
|c POF3-551
|f POF III
|x 0
536 _ _ |a 511 - Computational Science and Mathematical Methods (POF3-511)
|0 G:(DE-HGF)POF3-511
|c POF3-511
|f POF III
|x 1
588 _ _ |a Dataset connected to CrossRef
700 1 _ |a Halver, Rene
|0 P:(DE-Juel1)132124
|b 1
700 1 _ |a Sutmann, Godehard
|0 P:(DE-Juel1)132274
|b 2
700 1 _ |a Winkler, Roland G.
|0 P:(DE-Juel1)131039
|b 3
|e Corresponding author
773 _ _ |a 10.3390/polym9010015
|g Vol. 9, no. 1, p. 15 -
|0 PERI:(DE-600)2527146-5
|n 1
|p 15
|t Polymers
|v 9
|y 2017
|x 2073-4360
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.pdf
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.gif?subformat=icon
|x icon
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.jpg?subformat=icon-1440
|x icon-1440
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.jpg?subformat=icon-180
|x icon-180
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.jpg?subformat=icon-640
|x icon-640
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826047/files/polymers-09-00015.pdf?subformat=pdfa
|x pdfa
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:826047
|p openaire
|p open_access
|p driver
|p VDB
|p dnbdelivery
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 1
|6 P:(DE-Juel1)132124
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 2
|6 P:(DE-Juel1)132274
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 3
|6 P:(DE-Juel1)131039
913 1 _ |a DE-HGF
|b Key Technologies
|l BioSoft – Fundamentals for future Technologies in the fields of Soft Matter and Life Sciences
|1 G:(DE-HGF)POF3-550
|0 G:(DE-HGF)POF3-551
|2 G:(DE-HGF)POF3-500
|v Functional Macromolecules and Complexes
|x 0
|4 G:(DE-HGF)POF
|3 G:(DE-HGF)POF3
913 1 _ |a DE-HGF
|b Key Technologies
|1 G:(DE-HGF)POF3-510
|0 G:(DE-HGF)POF3-511
|2 G:(DE-HGF)POF3-500
|v Computational Science and Mathematical Methods
|x 1
|4 G:(DE-HGF)POF
|3 G:(DE-HGF)POF3
|l Supercomputing & Big Data
914 1 _ |y 2017
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0200
|2 StatID
|b SCOPUS
915 _ _ |a Creative Commons Attribution CC BY 4.0
|0 LIC:(DE-HGF)CCBY4
|2 HGFVOC
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0600
|2 StatID
|b Ebsco Academic Search
915 _ _ |a JCR
|0 StatID:(DE-HGF)0100
|2 StatID
|b POLYMERS-BASEL : 2015
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0501
|2 StatID
|b DOAJ Seal
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0500
|2 StatID
|b DOAJ
915 _ _ |a WoS
|0 StatID:(DE-HGF)0111
|2 StatID
|b Science Citation Index Expanded
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0150
|2 StatID
|b Web of Science Core Collection
915 _ _ |a IF < 5
|0 StatID:(DE-HGF)9900
|2 StatID
915 _ _ |a OpenAccess
|0 StatID:(DE-HGF)0510
|2 StatID
915 _ _ |a Peer Review
|0 StatID:(DE-HGF)0030
|2 StatID
|b ASC
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1150
|2 StatID
|b Current Contents - Physical, Chemical and Earth Sciences
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0300
|2 StatID
|b Medline
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0199
|2 StatID
|b Thomson Reuters Master Journal List
920 1 _ |0 I:(DE-Juel1)IAS-2-20090406
|k IAS-2
|l Theorie der Weichen Materie und Biophysik
|x 0
920 1 _ |0 I:(DE-Juel1)JSC-20090406
|k JSC
|l Jülich Supercomputing Center
|x 1
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)IAS-2-20090406
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 _ _ |a UNRESTRICTED
980 1 _ |a FullTexts

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21