Large scale Monte Carlo simulations of center-adsorbed star polymers

Shida, Kazuhito; Ohno, Kaoru; Kimura, Masayuki; Kawazoe, Yoshiyuki
November 1996
Journal of Chemical Physics;11/15/1996, Vol. 105 Issue 19, p8929
Academic Journal
A star-shaped polymer whose center unit is adsorbed on a surface offers a peculiar example of surface-grafted polymers. When it is isolated in a good solvent, it has been conjectured that several distinct scaling relations hold for the monomer and end-point density profiles. Especially, the density decay in a direction parallel to the surface is described by a new critical exponent λ(f) as ρ(r,z=0)∼r-d+λ(f). However, the precise values of the exponent as a function of the number of arms were still unclear. Another interesting quantity is the total number of configurations behaving as N∼lγs(f)-1μfl. Here, l is the length of the arm, μ the effective coordination number for a single chain, and λs(f) a new surface critical exponent yet to be known. We perform large scale Monte Carlo simulations of such an adsorbed star with the number of arms, f, ranging from 2 to 15, to verify the predicted scaling theory and to calculate various static properties and exponents. Estimates of γs(f ) are presented. The validity of the scaling relations is clearly shown, and the first estimation of the value of λ(f ) is given also. Furthermore, an empirical form of the exponent λ(f ) as a function of f is proposed. © 1996 American Institute of Physics.


Related Articles

  • Structure function of linear polymers in the ideal and excluded volume regime. Bishop, Marvin; Saltiel, Craig J. // Journal of Chemical Physics;5/15/1991, Vol. 94 Issue 10, p6920 

    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 monomer–monomer separation are calculated from the resulting configurations. The...

  • Monte Carlo simulation of polymer chain collapse in an athermal solvent. Suen, Jason K.C.; Escobedo, Fernando A. // Journal of Chemical Physics;1/15/1997, Vol. 106 Issue 3, p1288 

    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) ∼ +1/ $...

  • 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 φ4 O(n)-vector model in the limit n → 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...

  • 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....

  • 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 ∼...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics