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本文采用键长涨落模型和空穴扩散Monte Carlo 新算法对AB嵌段共聚物和共混体系的本体相分离进行了模拟.结果表明:(1)即使在无热条件下混合也并非无规,因此平均场理论的无规混合是一种十分粗糙的假定;(2)Florg-Huggins常数X只是一个唯象参数,并首次证明即使在相同的分子相互作用参数ε~*时,共聚物体系的X值高于相应的共混物的X值;(3)在AB组成比相同,各段的分子量也相同的情况下,共混体系较相应的嵌段共聚物体系更易分相,当A和B的链长分别为L_A=10,L_B=11时,它们相应的临界X值为X_c~(blend)=0.1,X_c~(block)=0.41.
In this paper, the bond length fluctuation model and the Monte Carlo hole diffusion algorithm were used to simulate the bulk phase separation of AB block copolymers and blends. The results show that: (1) The mixing is not random even in the absence of heat (2) Florg-Huggins constant X is only a phenomenological parameter, and for the first time shows that even with the same molecular interaction parameter ε ~ *, the copolymer system (3) In the case of the same AB composition and the same molecular weight in each section, the blend system is more likely to phase out than the corresponding block copolymer system. When A And the chain length of B are L_A = 10 and L_B = 11 respectively, their corresponding critical X values are X_c = (blend) = 0.1 and X_c = (block) = 0.41.