嵌段共聚高分子链构象的Monte Carlo模拟  

Monte Carlo Simulation on the Block Polymer Chain

作　　者：刘立芳[1,2] 王海军[1] 

机构地区：[1]河北大学化学与环境科学学院,河北保定071002 [2]河北农业大学理学院,河北保定071001

出　　处：《河北大学学报（自然科学版）》2009年第3期301-305,共5页Journal of Hebei University(Natural Science Edition)

基　　金：河北省自然科学基金资助项目(B2006000959)

摘　　要：采用非格子Monte Carlo模拟方法对嵌段共聚高分子链构象的演化过程进行模拟研究,具体地考察了结构单元的序列结构以及单元间的相互作用对高分子链的聚集态结构的影响.结果表明,在合适的条件下,嵌段高分子链可以发生线团-螺旋转变以及线团-链滴转变,相应结果可为理解生物大分子的结构提供可能的线索.The off-lattice Monte Carlo simulation on the block polymer chain consisting of two types of monomers is presented. The effects of monomer sequence and interactions between monomers on the aggregation structure of block polymer chain are investigated. It is shown that, the coil-helix transition and coil-globule transition can take place under proper conditions, the corresponding results provide some possible clues for understanding the structures of biopolymers.

关 键 词：非格子MonteCarlo模拟 嵌段高分子链 构象 聚集态结构 

分 类 号：O631.12[理学—高分子化学]