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The effect of chain topology on the statics and dynamics of chain at theinterface of two immiscible fluids is studied by means of molecular dynamicssimulations. For three topologically different chains, namely, linear, ring,and trefoil-knot of same molecular weight the effect of varying bothpolymer--fluid and fluid--fluid interaction nature on the width of the fluidinterface, chain conformation, shape, and chain dynamics. For sharp-interfacebinary-fluid system, the interface width is insensitive to both topology andpolymer-fluid interaction nature, while a weak non-monotonic variation is seenfor weak-interface system. Chain extension normal to the interface plane issignificantly affected by the topology with trefoil-knot chain, due to theadditional constraint, has the largest value compared to both linear and ringpolymers. Instantaneous shapes are also quantified through shape parameters.Furthermore, it is observed that the qualitative behavior of center of massmean-square displacement (MSD) is independent of topology, i.e., all the chaintypes show same diffusion exponent $\alpha~(\approx 1)$. However, theself-diffusion constant depends on the topology and it is largest fortrefoil-knot chain. An interesting observation pertaining the early timebehavior of monomeric-MSD is that, within the sub-diffusive regime, the valuesof $\alpha$ for different parameters (independent of topology) are grouped intotwo distinct ranges (0.52--0.59 and 0.62--0.67) which is related to thedifferent chain conformation for polymer-fluid interaction range below andabove a threshold value equal to that of the self-interaction of the pure fluidphase.

Effect of topology on the statics and dynamics of a polymer chain at the fluid-fluid interface: a molecular dynamics simulation study