通过RIS Metropolis Monte-Carlo方法建立了PDMS、PDPS以及嵌段共聚物PDMS/PDPS的模型,并用COMPASS力场和智能最小化方法对模型进行了能量最小化计算。采用共混相图、红外光谱和X射线的方法研究了PDMS/PDPS嵌段共聚物的微相结构,结果表明PDMS和PDPS存在微相分离现象；在PDMS/PDPS共聚物结构中,稳定的螺旋结构在与具有无规线团结构的PDMS共聚后,受到部分破坏,形成了新的无规线团区,具有特定的微相结构。 The models of PDMS, PDPS and PDMS / PDPS block copolymer were established by RIS Metropolis Monte-Carlo method, and the energy minimization of the model was calculated by COMPASS force field and intelligent minimization method. The phase structure of PDMS / PDPS block copolymer was studied by means of blending phase diagram, infrared spectroscopy and X-ray diffraction. The results showed that there was microphase separation between PDMS and PDPS. In PDMS / PDPS copolymer, the stable helical structure After partial copolymerization with PDMS with random coil structure, it was partially destroyed, forming a new random coil region with specific micro-phase structure.