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Interaktions potentialla energin mellan ändliga rektangulära disperserade celullosa nanofibriller
KTH, School of Chemical Science and Engineering (CHE).
2015 (Swedish)Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesisAlternative title
Interaction potential energy between finite rectangular cellulose nanofibrils (English)
Abstract [en]

Thermodynamically, native cellulose nano fibrils are more stable in an aggregated state. The aggregated state is however not useful from a material development perspective. Therefore much research has been done to stabilize the dispersal of the fibrils. One method to overcome this instability is by surface substitution of the O6 hydroxyl group with carboxylate groups, to make highly charged fibrils in aqueous solutions. It is therefore of much interest to understand the interaction of highly charged fibrils in aqueous solutions. In this study, we aim to model the interaction potential energy between native and surface modified cellulose nanofibrils in order to understand under what conditions the contribution from the dipole interactions can be neglected. To achieve this we propose to use a continuum electrostatic approach, modeling the electrostatic interactions as a function of the fibrils relative dipole orientation, separation, surface charge as well as ionic strength of the solution, by means of using the Poisson-Boltzmann equation.

Place, publisher, year, edition, pages
2015.
Keyword [en]
NONLINEAR POISSON-BOLTZMANN THEORY, Interaction potential energy, APBS
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-173483OAI: oai:DiVA.org:kth-173483DiVA: diva2:853159
Available from: 2015-09-11 Created: 2015-09-11 Last updated: 2015-09-23Bibliographically approved

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Theoretical Chemistry

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CiteExportLink to record
Permanent link

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Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
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  • asciidoc
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