Size of a Polymer Chain in an Environment of Quenched Chains

作者：Shanbhag Sachin^*

来源：Journal of Polymer Science Part B: Polymer Physics , 2015, 53(22): 1611-1619.

DOI：10.1002/polb.23808

• lattice models
• Monte Carlo simulation
• conformational analysis
• porous
• quenched media

We perform high-coordination three-dimensional (3D) lattice simulations of a single chain of N monomers embedded in matrices of quenched chains, at different concentrations rho, using pruned-enriched Rosenbluth sampling. The partition function is well-described by the expression, Z(N)(rho)=0.051(mu)(N)N '(-1), where gamma approximate to 1.16 is a universal constant, and mu(rho)=23.39-17.36 rho-10: 96 rho(2) is the concentration dependent lattice connectivity constant. For sufficiently long chains, N >= 50, we find that the radius of gyration R varies nonmonotonically with rho; R decreases gradually from its unperturbed dimensions R-0 until R/R-0 approximate to 0.9, after which it increases relatively rapidly due to repulsion between monomers. Motivated by the similarity in the shape of the curves, and results on Gaussian chains, we successfully superpose all the simulation data onto a single master curve. Finally, we test the relationship R/R-0 simi

• 出版日期2015-11-15