2013
DOI: 10.1021/jp401238m
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Theoretical Size Distribution in Linear Step-Growth Polymerization for a Small Number of Reacting Species

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 … Show more

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Cited by 21 publications
(10 citation statements)
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“…The model Eq. ( 6 ) is purely empirical, although a somewhat similar distribution function ~exp(− αr 3 ) appears in the Flory’s treatment of step-growth polymerization 43 , 44 and in the solution of Smoluchowski equation for aggregation by collision 45 . In our study the use of Eq.…”
Section: Resultsmentioning
confidence: 89%
“…The model Eq. ( 6 ) is purely empirical, although a somewhat similar distribution function ~exp(− αr 3 ) appears in the Flory’s treatment of step-growth polymerization 43 , 44 and in the solution of Smoluchowski equation for aggregation by collision 45 . In our study the use of Eq.…”
Section: Resultsmentioning
confidence: 89%
“…2C). We speculate that with a size of n is P (n) ∝ p n where p is proportional to the concentration of monomers [30][31][32][33]…”
mentioning
confidence: 99%
“…It was suggested in [11,12] that the actual conversion during polycondensation does not reach 100 % with the process terminated at earlier stages. In [14], authors noted that in the Flory theory the limit value DPD = 2 is contrary to the fact that at complete transformation of a monomer the only one molecule forms, for which this magnitude must be equal to 1.…”
Section: Literature Review and Problem Statementmentioning
confidence: 99%
“…Some problems that emerge in polycondensation theory should be stated differently for the equilibrium condensation telomerization. Thus, from the standpoint of polycondensation theory, of great interest is the behavior of the system in the neighborhood of the hypothetical singular point, when the complete conversion of monomer has been achieved and a single giant polymer molecule has been formed [10,11,14]. It was suggested in [11,12] that the actual conversion during polycondensation does not reach 100 % with the process terminated at earlier stages.…”
Section: Literature Review and Problem Statementmentioning
confidence: 99%