Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface.
Investigation of the conformational properties of a SAW polymer chain near an impenetrable, non-interacting flat surface showed that the chain at first contracted and orientated itself to slightly parallel when it pulled close to the surface and at last elongated and reoriented itself to slightly perpendicular to the surface at very small distance from the surface. Simulation showed that most of the disappeared configurations were of large size at moderate distance from the surface while they were of small size at very small distance from the surface; and that the mean-square end-to-end distance <R(2)> was much more prone to be influenced by the surface than the mean-square radius of gyration <S(2)>. The orientational correlation between the direction of the longest principal axis of the moment of inertia and end-to-end vector was also discussed.
Huang
Jian-hua
JH
Department of Applied Chemistry, Zhejiang Institute of Science and Technology, Hangzhou 310033, China. hjhchem@yahoo.com.cn
Han
Shi-jun
SJ