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WOLFRAM|DEMONSTRATIONS PROJECT

Intramolecular Reaction between Neighboring Functional Groups in Random Copolymers

simple statistics

considering copolymerization constants

mole fraction A in the monomer mixture:

0.479

1.5

0.98

	AA
	AB
	AC
	BB
	BC
	CC

53.26 mole % of A in the starting copolymer

16.58% of B blocked

This Demonstration shows the effect of copolymer composition on the kinetics of an irreversible intramolecular reaction when only neighboring groups A and B take part in the reaction. The upper graph represents the evolution of the molar fraction of dyads in the copolymer as the reaction proceeds. The lower histogram for blocked groups B shows the distribution of the distances of blocked groups B to the nearest group A and vice versa for the blocked groups A to the nearest group B. The lower part of the window shows the average composition of the initial copolymer and the molar fraction of the blocked groups after the reaction is complete. The proportion of blocked groups is calculated using the monomer taken in deficiency.

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