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Journal Article

Interaction of a spherical particle with linear chains


Klos,  J.
MPI for Polymer Research, Max Planck Society;


Pakula,  Tadeusz
MPI for Polymer Research, Max Planck Society;

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Klos, J., & Pakula, T. (2003). Interaction of a spherical particle with linear chains. Journal of Chemical Physics, 118(3), 1507-1513.

Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-62A5-6
Linear flexible polymers both at low and high concentrations surrounding a single hard sphere are simulated using the cooperative motion algorithm on the face-centered cubic lattice. The excluded-volume condition between different monomers is taken into account and the size ratio q=R/Rg of the sphere radius and the mean radius of gyration of the chains is considered as a parameter. Structure of the system in the vicinity of the sphere is analyzed in comparison with the structure of the bulk solution for a wide range of q. The limiting case of the infinite sphere radius R-->∞, i.e., the effect of the neutral wall on the chains, is also presented. The simulations indicate (1) a depletion layer in the neighborhood of the sphere, (2) an enhancement of the chain ends concentration at the particle surface, (3) an enhancement of the chain center-of-mass concentration at some distance from the surface for large q, (4) a penetration of the centers of mass into the sphere for small q, (5) an orientation ordering of the chains in the region of interest. (C) 2003 American Institute of Physics.