Woelki, Stefan and Kohler, Hans-Helmut (2003) Orientation of chain molecules in ionotropic gels: a Brownian dynamics model. CHEMICAL PHYSICS, 293 (3). pp. 323-340. ISSN 0301-0104
Full text not available from this repository.Abstract
As is known from birefringence measurements, polysaccharide molecules of ionotropic gels are preferentially orientated normal to the direction of gel growth. In this paper the orientation effect is investigated by means of an off-lattice Brownian dynamics model simulating the gel formation process. The model describes the integration of a single coarse grained phantom chain into the growing gel. The equations of motion of the chain are derived. The computer simulations show that, during the process of integration, the chain is contracting normal to the direction of gel growth. A scaling relation is obtained for the degree of contraction as a function of the length parameters of the chain, the velocity of the gel formation front and the rate constant of the crosslinking reaction. It is shown that the scaling relation, if applied to the example of ionotropic copper alginate gel, leads to reasonable predictions of the time course of the degree of contraction of the alginate chains. (C) 2003 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CALCIUM ALGINATE GELS; ADSORPTION; GELATION; POLYSACCHARIDES; MORPHOLOGY; SIMULATION; polyelectrolytes; ionotropic gels; Brownian dynamics simulation |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Jul 2021 10:08 |
| Last Modified: | 29 Jul 2021 10:08 |
| URI: | https://pred.uni-regensburg.de/id/eprint/38602 |
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