嵌段共聚高分子链构象的Monte Carlo模拟

Monte Carlo Simulation on the Block Polymer Chain

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.