Details

Select the "simple statistics" button to use the average composition of the copolymer to generate the starting copolymer. Select the button "considering copolymerization constants" to generate the starting copolymer based on the Mayo–Lewis equation with copolymerization constants and for monomers and , respectively.

If the initial monomer mixture contains mole fraction of monomer , the conditional probability that monomer follows monomer in the copolymer is

and that monomer follows monomer is

.

This Demonstration uses the reaction model for convenience, although in practice, cases of and are possible. The data for these cases is easily obtained from the reaction model , since for the second case, group is always located next to group , and group occupies two monomer units for the third case.

If group is blocked, the distance distribution to the nearest group is calculated, and vice versa. The distances are calculated after the reaction is complete. If the distance to the two reactive groups is the same, only one distance is taken into account, since only one reaction step is possible. The distribution of these distances is useful for reversible reactions and in the presence of rearrangements.