Theoretical size distribution in linear step-growth polymerization for a small number of reacting species

S. Kéki, M. Zsuga, Ákos Kuki

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The size distributions for the linear step-growth polymerization containing a relatively small number of molecules (in the range of 20-10000) have been calculated using computer simulations. Contrary to the most probable distribution of Flory, which predicts a continuous linear increase of the polydispersity index (PDI) from the value of 1 to 2, it has been found that the PDI increases up to a certain maximum value followed by a decrease to unity as the extent of conversion (p) approaches unity. The maxima of the PDI versus p curves as well as the sharpness of the decrease of these curves to unity have been found to strongly depend on the number of reacting species. In addition, on the basis of a rigorous statistical treatment, the number and the weight-average size distributions have been derived, which are in perfect agreement with those obtained by computer simulation. Furthermore, the derived distributions can also be applied for the description of reaction products of depolymerization reactions.

Original languageEnglish
Pages (from-to)4151-4155
Number of pages5
JournalJournal of Physical Chemistry B
Volume117
Issue number15
DOIs
Publication statusPublished - Apr 18 2013

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Polydispersity
unity
polymerization
Polymerization
computerized simulation
depolymerization
Depolymerization
sharpness
Computer simulation
curves
Reaction products
reaction products
Molecules
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

Cite this

Theoretical size distribution in linear step-growth polymerization for a small number of reacting species. / Kéki, S.; Zsuga, M.; Kuki, Ákos.

In: Journal of Physical Chemistry B, Vol. 117, No. 15, 18.04.2013, p. 4151-4155.

Research output: Contribution to journalArticle

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