【摘 要】
：
结合量化计算和介观模拟的方法研究六种分子拓扑结构的脂质结构的PEO-b-PMMA共聚物.以MMA为连接点的共聚物可以形成多种介观结构,如胶束、层状或弯曲层状相态,而长链嵌段共聚
【出 处】
：
第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
结合量化计算和介观模拟的方法研究六种分子拓扑结构的脂质结构的PEO-b-PMMA共聚物.以MMA为连接点的共聚物可以形成多种介观结构,如胶束、层状或弯曲层状相态,而长链嵌段共聚物甚至会发生宏观相分离.限制条件的排除体积效应有助于共聚物形成囊泡状相结构,这说明限制可以为调控链段的分布,进而调节相形态,甚至影响材料的性质.具有两条亲水性EO链段和一条疏水性MMA链段的短链共聚物受中性和非中性限制条件作用,其相形态的形成过程需要经过四个阶段,但最终都形成了六方柱状相.令人惊讶的是,限制条件对EO链段的排斥效应大于对MMA的排斥效应时,共聚物会自组装成交叉的柱状相,两个不同取向的柱状阵列间的夹角为75度,这为人民提供了生产非均相纳米管阵列的理论启示.对于具有四条EO链段连接到MMA的短链共聚物,研究发现当交换限制条件与EO和MMA链段之间的相互作用时,可以控制共聚物的吸附和脱附,并形成EO和MMA链段交替的层状相.
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