| 초록 |
The crystal structure in the atomic scale is quite important because it governs the basic physical properties and structures. However, the method of the determination of crystal structure of the polymeric materials is quite different from that of monomeric materials (single crystal and powder methods) due to the small number of the observed reflections and a lot of disorders in the crystal structure. The typical method for analyzing the crystal structure of the polymeric materials is using a fiber X-ray pattern and molecular modeling. In this study, how to analyze a fiber X-ray pattern and how to use molecular modeling using Cerius2 and Material studio will be mentioned with some examples such as naphthalene-based rigid-rod polymers, cyanated Kevlar, blockcopolymer and nanocomposites. The refinement of the crystal structure of polymeric materials is also quite different from that of monomeric materials. The LALS (linked-atom least-squares) S/W was usually used for the refinement of the crystal structure of the polymeric materials. (winLALS (window version of LALS) was recently released) In this study, how to refine the crystal structure of the polymeric materials using winLALS will be addressed with a few examples under study. |
