多嵌段高分子的溶解性和分子形状的蒙特卡罗研究

STUDY ON THE SOLUBILITY AND SHAPE OF MULTIPLE BLOCK COPOLYMER CHAINSBY MONTE- CARLO METHOD

利用 Ｍｏｎｔｅ Ｃａｒｌｏ 方法模拟了两组分多嵌段高分子链在稀溶液中的行为，着重探讨了不同的嵌段长度对高分子性质的影响．研究中以自避的分子链为研究对象，分别考察了稀溶液中该分子链的溶解性、分子线团形状和嵌段单元的空间分布，与嵌段长度的关系．结果表明，在相同溶剂条件下，嵌段序列的长度对共聚高分子溶解性有较大影响，嵌段序列长度与溶解性能具有非单调的变化规律．该分子链在溶剂中的形状同样受到嵌段序列长度的影响．嵌段间的相互作用能的差别越大。

The behavior of multiple block copolymer chains with two kinds of chemicalcomponentsin dilute solutions has been studied by Monte Carlo method . Addressed here isan exploration that various block sequencelengths affectthe nature ofthecopolymers. In thissimulation ,the chains are generated in the way of self avoiding walking . The solubility ,theshape of chain topology and the topological distribution of chemically different blocks of thecopolymers were respectively examined . Obtained results show that in the same solvent thelength of the block sequence influences remarkably the solubility of the copolymers. Thesolubility does not change monotonously with the block length . The shape of chain topolgyexhibited the same behavior. The difference of the interaction between the two differentblocksresultsin the dependence of the solubility and the chain shape on the block sequencelength .