Chitosan characteristics in electrolyte solutions : combined molecular dynamics modeling and slender body hydrodynamics

2022
journal article
article
11
dc.abstract.enMolecular dynamics modeling was applied to predict chitosan molecule conformations, the contour length, the gyration radius, the effective cross-section and the density in electrolyte solutions. Using various experimental techniques the diffusion coefficient, the hydrodynamic diameter and the electrophoretic mobility of molecules were determined. This allowed to calculate the zeta potential, the electrokinetic charge and the effective ionization degree of the chitosan molecule as a function of pH and the temperature. The chitosan solution density and zero shear dynamic viscosity were also measured, which enabled to determine the intrinsic viscosity increment. The experimental results were quantitatively interpreted in terms of the slender body hydrodynamics exploiting molecule characteristics derived from the modeling. It is also confirmed that this approach can be successfully used for a proper interpretation of previous literature data obtained under various physicochemical conditions.pl
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiegopl
dc.contributor.authorLupa, Dawid - 456980 pl
dc.contributor.authorPłaziński, Wojciechpl
dc.contributor.authorMichna, Anetapl
dc.contributor.authorWasilewska, Monikapl
dc.contributor.authorPomastowski, Pawełpl
dc.contributor.authorGołębiowski, Adrianpl
dc.contributor.authorBuszewski, Bogusławpl
dc.contributor.authorAdamczyk, Zbigniewpl
dc.date.accessioned2022-07-05T19:51:44Z
dc.date.available2022-07-05T19:51:44Z
dc.date.issued2022pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.versionostateczna wersja wydawcy
dc.description.volume292pl
dc.identifier.articleid119676pl
dc.identifier.doi10.1016/j.carbpol.2022.119676pl
dc.identifier.eissn1879-1344pl
dc.identifier.issn0144-8617pl
dc.identifier.urihttps://ruj.uj.edu.pl/xmlui/handle/item/294555
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa*
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl*
dc.share.typeinne
dc.subject.enchitosan molecule conformationspl
dc.subject.enchitosan molecule chargepl
dc.subject.enhydrodynamic diameterpl
dc.subject.enmolecular dynamics modelingpl
dc.subject.enintrinsic viscositypl
dc.subject.enzeta potentialpl
dc.subtypeArticlepl
dc.titleChitosan characteristics in electrolyte solutions : combined molecular dynamics modeling and slender body hydrodynamicspl
dc.title.journalCarbohydrate Polymerspl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.abstract.enpl
Molecular dynamics modeling was applied to predict chitosan molecule conformations, the contour length, the gyration radius, the effective cross-section and the density in electrolyte solutions. Using various experimental techniques the diffusion coefficient, the hydrodynamic diameter and the electrophoretic mobility of molecules were determined. This allowed to calculate the zeta potential, the electrokinetic charge and the effective ionization degree of the chitosan molecule as a function of pH and the temperature. The chitosan solution density and zero shear dynamic viscosity were also measured, which enabled to determine the intrinsic viscosity increment. The experimental results were quantitatively interpreted in terms of the slender body hydrodynamics exploiting molecule characteristics derived from the modeling. It is also confirmed that this approach can be successfully used for a proper interpretation of previous literature data obtained under various physicochemical conditions.
dc.affiliationpl
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
dc.contributor.authorpl
Lupa, Dawid - 456980
dc.contributor.authorpl
Płaziński, Wojciech
dc.contributor.authorpl
Michna, Aneta
dc.contributor.authorpl
Wasilewska, Monika
dc.contributor.authorpl
Pomastowski, Paweł
dc.contributor.authorpl
Gołębiowski, Adrian
dc.contributor.authorpl
Buszewski, Bogusław
dc.contributor.authorpl
Adamczyk, Zbigniew
dc.date.accessioned
2022-07-05T19:51:44Z
dc.date.available
2022-07-05T19:51:44Z
dc.date.issuedpl
2022
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.version
ostateczna wersja wydawcy
dc.description.volumepl
292
dc.identifier.articleidpl
119676
dc.identifier.doipl
10.1016/j.carbpol.2022.119676
dc.identifier.eissnpl
1879-1344
dc.identifier.issnpl
0144-8617
dc.identifier.uri
https://ruj.uj.edu.pl/xmlui/handle/item/294555
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights*
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri*
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
inne
dc.subject.enpl
chitosan molecule conformations
dc.subject.enpl
chitosan molecule charge
dc.subject.enpl
hydrodynamic diameter
dc.subject.enpl
molecular dynamics modeling
dc.subject.enpl
intrinsic viscosity
dc.subject.enpl
zeta potential
dc.subtypepl
Article
dc.titlepl
Chitosan characteristics in electrolyte solutions : combined molecular dynamics modeling and slender body hydrodynamics
dc.title.journalpl
Carbohydrate Polymers
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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