# Large scale Monte Carlo simulations of center-adsorbed star polymers

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Monte Carlo simulations employing the pivot algorithm are used to generate ideal and excluded-volume chains on two- and three-dimensional lattices. The second, fourth, sixth, and eighth moments of the average monomerâ€“monomer separation are calculated from the resulting configurations. The...

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Details the Monte Carlo simulations of polymer chain collapse in an athermal solvent. Entropy-driven collapse of the chain; Mean square radius of gyration calculated for a flexible chain of length immersed in a hard-sphere medium having a specified solvent chemical potential; Effects of chain...

- Monte Carlo simulations for a fluctuating sphere labeled on a flexible polymer chain in good solvents. Chen, Yong; Shew, Chwen-Yang // Journal of Chemical Physics;11/15/2001, Vol. 115 Issue 19, p9084
Monte Carlo simulations are conducted to investigate a model composed of a fluctuating sphere labeled on one chain end of an isolated flexible chain polymer in good solvents. The labeled sphere is to model the instantaneous size of a bound flexible chain segment or a vibrating chromophore on a...

- Non-extensivity of the chemical potential of polymer melts. Wittmer, J.; Johner, A.; Cavallo, A.; Beckrich, P.; Crevel, F.; Baschnagel, J. // European Physical Journal E -- Soft Matter;Mar2010, Vol. 31 Issue 3, p229
Following Flory's ideality hypothesis, the chemical potential of a test chain of length n immersed into a dense solution of chemically identical polymers of length distribution P( N) is extensive in n . We argue that an additional contribution $ \delta$ $ \mu_{{{\rm c}}}^{}$ ( n) âˆ¼ +1/ $...

- Conformational studies of bottle-brush polymers absorbed on a flat solid surface. Hsu, Hsiao-Ping; Paul, Wolfgang; Binder, Kurt // Journal of Chemical Physics;10/7/2010, Vol. 133 Issue 13, p134902
The adsorption of a bottle-brush polymer end-grafted with one chain end of its backbone to a flat substrate surface is studied by Monte Carlo simulation of a coarse-grained model, that previously has been characterized in the bulk, assuming a dilute solution under good solvent conditions....

- Critical polymer-polymer phase separation in ternary solutions. Lei Guo; Luijten, Erik // Journal of Chemical Physics;8/15/2005, Vol. 123 Issue 7, p074707
We study polymer-polymer phase separation in a common good solvent by means of Monte Carlo simulations of the bond-fluctuation model. Below a critical, chain-length-dependent concentration, no phase separation occurs. For higher concentrations, the critical demixing temperature scales...

- Monomer density profiles for polymer chains in confined geometries: Massive field theory approach. Usatenko, Z. // Journal of Chemical Physics;1/14/2011, Vol. 134 Issue 2, p024119
Taking into account the well known correspondence between the field theoretical Ï†4 O(n)-vector model in the limit n â†’ 0 and the behavior of long flexible polymer chains in a good solvent, the universal density-force relation is analyzed and the corresponding universal amplitude ratio...

- Grafted polymer layers under shear: A Monte Carlo simulation. Lai, Pik-Yin; Binder, Kurt // Journal of Chemical Physics;2/1/1993, Vol. 98 Issue 3, p2366
Endgrafted polymers at surfaces exposed to a shear flow are modeled by a nonequilibrium Monte Carlo method where the jump rate of effective monomers to neighboring lattice sites against the flow direction is smaller than in the flow direction, assuming that this difference in jump rates is...

- Smoothening transition of a two-dimensional pressurized polymer ring. Haleva, E.; Diamant, H. // European Physical Journal E -- Soft Matter;Apr2006, Vol. 19 Issue 4, p461
We revisit the problem of a two-dimensional polymer ring subject to an inflating pressure differential. The ring is modeled as a freely jointed closed chain of N monomers. Using a Flory argument, mean-field calculation and Monte Carlo simulations, we show that at a critical pressure, p c âˆ¼...