Cui-liu Fu, Zhao-yan Sun, Li-jia An. THE PROPERTIES OF A SINGLE POLYMER CHAIN IN SOLVENT CONFINED IN A SLIT: A MOLECULAR DYNAMICS SIMULATION[J]. Chinese Journal of Polymer Science, 2013, 31(3): 388-398.
DOI:
Cui-liu Fu, Zhao-yan Sun, Li-jia An. THE PROPERTIES OF A SINGLE POLYMER CHAIN IN SOLVENT CONFINED IN A SLIT: A MOLECULAR DYNAMICS SIMULATION[J]. Chinese Journal of Polymer Science, 2013, 31(3): 388-398.DOI: 10.1007/s10118-013-1231-x.
THE PROPERTIES OF A SINGLE POLYMER CHAIN IN SOLVENT CONFINED IN A SLIT: A MOLECULAR DYNAMICS SIMULATION
A single polymer chain in solvent confined in a slit formed by two parallel plates is studied by using molecular dynamics simulation method. The square radii of gyration and diffusion behaviors of polymers are greatly affected by the distance between the two plates
but they do not follow the same way. The chain size decays drastically with increasing
h
(
h
is the distance between two plates)
until a basin occurs
and a universal
h
/
<
R
g
>
0
dependence for polymer chains with different degrees of polymerization can be obtained. While
for the chain's diffusion coefficient
it decays monotonously and there is no such basin-like behavior. Furthermore
we studied the radial distribution function of confined polymer chains to explain the reason why there is a difference for the decay behaviors between dynamic properties and static properties. Besides
we also give the degree of confinement dependence of the static scaling exponent for a single polymer chain. Our work provides an efficient way to estimate the dynamics and static properties of confined polymer chains
and also helps us to understand the behavior of polymer chains under confinement.
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