我們利用分子動力學的技術,在real time模擬PU(polyurea)和PMMA在理想氧化鋁(aluminum oxide)間的作用力(interaction)。我們模擬計算接果發現聚合物為了在固體表面有好的吸附能力,會尋找一個適當的反應位向,其能力則取決於聚合物單體的結構和聚合物的聚合構造,另外跟聚合骨架是否有官能基的參與也有極大的關係。 An ongoing program in our laboratory seeks to elucidate the effect of aluminum oxide on polymers. The project includes the use of molecular dynamics (MD) techniques to carry out real time simulations of the interaction of polyurea (PU) and polymethylmethacrylate(PMMA) adhesive oligomers with idealized alumina surface. The simulations illustrated the preferred orientations of the organic molecules with respect to the alumina surface and suggested which geometry of monomers and structural type of polymers are influential on determining this orientation. Specially, the function groups of framework are most influential for adhesion.
Relation:
第十八屆高分子研討會論文專輯第十一卷第二冊=Proceedings of the 18th ROC Polymer Symposium 1995
