V. Yamakov et A. Milchev, POLYMER-CHAIN IN A FLOW-THROUGH A POROUS-MEDIUM - A MONTE-CARLO SIMULATION, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 56(6), 1997, pp. 7043-7052
We study conformational and dynamic properties of dilute polymer solut
ions drifting through a random environment of obstacles at varying int
ensity of the external field B and of the host matrix density C-ob usi
ng dynamic Monte Carlo simulation of an off-lattice bead-spring model.
The presence of obstacles is found to influence strongly the conforma
tional properties of the drifting chains: with growing strength of the
field B and C-ob=0 the chain mean size (gyration radius), R-g(2), rap
idly increases while the ratio between the end-to-end distance, R-ee(2
) and R-g(2) drops essentially below the usual value of 6, typical in
the absence of drift, suggesting a hooflike shape of the chain with bo
th ends directed along the external field vector. We confirm the findi
ng of G. M. Foo and R. B. Pandey [Phys. Rev. E 51, 5738 (1995)] of a c
ritical strength of the external field Be above which the permeability
of the host matrix sharply drops. A detailed study of this phenomenon
suggests that B-c may be related to a dramatic growth of a specific '
'capture'' time, characterizing the interaction of the chains with the
obstacles, so that a simple model describing the drift of chains amon
g obstacles may be shown to reproduce our findings.