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 351040
Title Monte Carlo study of supramolecular polymer fractionation: Selective removal of chain stoppers by phase separation
Author(s) Zweistra, H.J.A.; Besseling, N.A.M.; Cohen Stuart, M.A.
Source The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical 110 (2006)37. - ISSN 1520-6106 - p. 18629 - 18634.
Department(s) Physical Chemistry and Colloid Science
Publication type Refereed Article in a scientific journal
Publication year 2006
Keyword(s) equilibrium polymers - reversible polymers - living polymers - simulation - monomers
Abstract Supramolecular polymers consist of bifunctional monomers that join and break reversibly. Supramolecular polymer solutions are often polluted by monofunctional contaminants, which drastically reduce the chain-forming capabilities of the system. Unfortunately, the monofunctional contaminants are difficult to remove due to the physical and chemical resemblance with the bifunctional counterparts. In this paper, we present a method to specifically remove the monofunctional contaminants from a Supramolecular polymer solution. The general idea is to induce phase separation by decreasing the solvent quality and to remove the most dilute phase. This concept is explored by means of a recently developed Monte Carlo scheme to calculate the compositions of the coexisting liquid phases. The simulations provide a proof of principle that the proposed purification method is suitable to remove the monofunctional contaminants efficiently. The calculations indicate that, at the right experimental conditions, the vast majority of the monofunctional contaminants can be removed in this way while retaining most of the bifunctional monomers. Because of the general nature of the arguments presented here, it is to be expected that the results are applicable to a large variety of Supramolecular systems. Moreover, the method is very suitable for large-scale applications because only solvent is added and no tedious chromatographic steps are required
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