杨永彪, 孙昭艳, 安立佳. Monte Carlo模拟方法研究管道受限对高分子链缠结的影响[J]. 高分子学报, 2011,(5):554-559.
YANG Yongbiao, SUN Zhaoyan, AN Lijia. MONTE CARLO STUDIES OF THE CONFINEMENT EFFECTS ON THE ENTANGLEMENT OF POLYMER CHAINS[J]. Acta Polymerica Sinica, 2011,(5):554-559.
YANG Yongbiao, SUN Zhaoyan, AN Lijia. MONTE CARLO STUDIES OF THE CONFINEMENT EFFECTS ON THE ENTANGLEMENT OF POLYMER CHAINS[J]. Acta Polymerica Sinica, 2011,(5):554-559. DOI: 10.3724/SP.J.1105.2011.10134.
Based on lattice model Monte Carlo simulations were carried out to investigate the influence of channel confinement on the properties of entangled (Linear250) and disentangled (Linear30) linear polymers with different sizes of channel.It is found that the molecular size of both Linear30 and Linear250 monotonously decreases with decreasing the channel size
i.e.channel confinement has similar influence on the static properties of linear chains whether they are entangled or not.As for the dynamical properties
the diffusion coefficient of Linear30 decreases with decreasing channel size; while that of Linear250 first increases and then decreases
which implies that the confinement will help to untangle the linear chains.Furthermore
the single target ring (which can be regarded as a test chain) in the matrix of confined Linear30 and Linear250 systems is also studied.The static properties of the target ring do not show clear change for these two systems; however
the diffusion coefficients of Z direction of ring in the entangled linear matrix show great difference from that of the disentangled one.This is a further evidence for the untangle effect of confinement.