Making alternate copolymer

EMC
1

I have two monomers (A and B) and terminator (C). I want to make a polymer like
C-(-AAABAAABAAAB-)n -C

This is how I tried to do this:

image
image381Ă—675 5.35 KB

But I am getting random number of A followed by one B.

2

You should change a few things to accomplish your goal:

# Groups

ITEM	GROUPS
a		*AAA*,1,b:2
b		*B*,1,a:2
c		*C,1,a:1,1,a:2,1,b:1,1,b:2
ITEM	END

# Clusters

ITEM	CLUSTERS
poly	alternate,1
ITEM	END

# Polymers

ITEM	POLYMERS
poly
1		a,30,b,30,c,2
ITEM	END

The above solution would also work when choosing a random polymer, since the connectivity does not allow connections between monomers a and a or monomers b and b. Note that the number of repeat units of a and b have to be equal within a delta of 1 – e.g. 29 and 30 or 30 and 30 – in order to obtain a valid polymer. Alternatively, you could combine monomer a and b into one monomer mono:

# Groups

ITEM	GROUPS
mono	*AAAB*,1,mono:2
term	*C,1,mono:1,1,mono:2,1
ITEM	END

# Clusters

ITEM	CLUSTERS
poly	alternate,1
ITEM	END

# Polymers

ITEM	POLYMERS
poly
1		mono,30,term,2
ITEM	END

In the latter solution, you could also use random instead of alternate, since here the resulting polymer constitutes of only one monomer.

1 Like
3

Thanks for your reply.

4

I actually needed to change the number of As and Bs (AAAAAAAAABAAAAAAAAAB…), So I ended up using the block template and manually writing the sequence (a,10,b,1,a,10,b,1…).