ma4021246_si_001.pdf (157.31 kB)
Monte Carlo Simulations of Multigraft Homopolymers in Good Solvent
journal contribution
posted on 2015-12-17, 00:14 authored by Daniel G. Angelescu, Per LinseMultigraft polymers comprise a subclass
of branched polymers where more than one side chain is attached to
each node (branching point) of the main chain. We have investigated
structural properties of single multigraft polymers under good solvent
conditions by Monte Carlo simulations, employing a flexible bead–spring
model. Beside the grafting density, denoting the linear density of
grafted side chains, we have introduced the concept of branching density,
denoting the linear density of nodes. At high branching density, both
the branching density and the branching multiplicity controlled the
structure of the side chains, whereas at lower branching density only
the branching multiplicity influenced the side-chain structure. The
spatial extension of the main chain and side chains as a function
of side-chain length and grafting density was analyzed using scaling
formalism. The dependence of the main-chain extension on side-chain
length, branching density, and branching multiplicity could be collapsed
on a universal curve upon relevant rescaling. Multigraft polymers
with equal number of side-chain beads but unequal numbers and lengths
of side chains displayed unconventional bending properties. Few and
long side chains gave rise to a still relative low locally stiffness
but considerable long-range rigidity, whereas more numerous and shorter
side chains lead to a higher local stiffness but to a smaller long-range
rigidity.