受限于平行界面之间高分子链力学行为的研究

采用PERM(pruned-enriched-rosenbluth method)算法,和简立方格点上的自避行走模型,研究了受限于平行界面之间的星型高分子链和线型高分子链的力学行为,并将两种结果进行了比较.模拟结果表明,如果界面对高分子链存在吸附作用,界面之间距离D的增大需要外力的作用;如果界面对链没有吸附作用,则D的增大是一个自发的过程,无需外力的作用.随着界面间距D的增大,通过计算星型链和线型链的均方回转半径〈S2〉和形状因子〈δ*〉,研究了链尺寸和形状的变化情况.另外,为了更细微地了解星型链和线型链的结构及力学行为,还研究了受限高分子链在平行界面之间的轨链(train)、环链(bridge)和尾链(tail).

ELASTIC BEHAVIOR OF POLYMER CHAINS CONFINED IN PARALLEL INTERFACES

The elastic behaviors of star and linear polymer chains confined in parallel interfaces are investigated using pruned-enriched-rosenbluth method (PERM) based on the self-avoiding walk (SAW) model.The simulation results suggest that if the interfaces have the adsorptive effect on the chains,the accretion of the distance between parallel interfaces D needs acting force; while if the interfaces have no attraction,the accretion of D is a spontaneous process. In our simulation,we calculate the changes of the mean-square radii of gyration 〈S2〉 and the shape factor 〈δ〉 with D,describing the changes of dimension and shape of the star and linear chains.Additionally,in order to understand the structure and the mechanical behavior in more detail,we also study confined chains of different structure such as train,loop,bridge and tail chains.