Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 495825
Title Self-organization of polyurethane pre-polymers as studied by self-consistent field theory
Author(s) Li, Feng; Tuinier, Remco; Casteren, Ilse Van; Tennebroek, Ronald; Overbeek, Ad; Leermakers, F.A.M.
Source Macromolecular Theory and Simulations 25 (2016)1. - ISSN 1022-1344 - p. 16 - 27.
DOI https://doi.org/10.1002/mats.201400106
Department(s) Physical Chemistry and Soft Matter
VLAG
Publication type Refereed Article in a scientific journal
Publication year 2016
Abstract

Using self-consistent field (SCF) theory, we studied the self-assembly characteristics of polyurethane pre-polymer dispersions in aqueous solutions. With a molecularly detailed model implementing the Scheutjens-Fleer discretization scheme, it is shown how the stability, equilibrium size, and internal structure of the (swollen) micelles in polyurethane (PU) dispersions depend on the chemical structure and the molecular composition of the charged pre-polymer mixtures. The stability region of these micelles is found to increase when acid groups become deprotonated and when the ionic strength is lowered. Insight into the physical-chemical behavior of PU pre-polymer dispersions is important for the subsequent process of film formation from the PU dispersions for the final coating properties. Using self-consistent field (SCF) theory with a molecularly detailed model, the authors study the self-assembly of polyurethane pre-polymer dispersions in aqueous solutions. Insight into the physical-chemical behavior of PU pre-polymer dispersions is obtained. Details like radial volume fraction distribution of six representative PU pre-polymers and water on a single swollen micelle are shown in this paper.

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