排序方式: 共有24条查询结果,搜索用时 15 毫秒
1.
2.
3.
计算机辅助设计三聚氰胺分子印迹聚合物 总被引:1,自引:0,他引:1
借助密度泛函理论(DFT)长程校正方法,以三聚氰胺(MAM)为印迹分子,甲基丙烯酸(MAA)为功能单体,分别以二甲基丙烯酸乙二醇酯(EGDMA)、三羟甲基丙烷三甲基丙烯酸酯(TRIM)及二乙烯苯(DVB)为交联剂,以乙腈(ACN)、甲醇(MT)、乙醇(EA)、甲苯(TL)、四氢呋喃(THF)及二甲基亚砜(DMSO)为溶剂,模拟了MAM与MAA单体分子印迹聚合物(MIPs)自组装体系的构型,讨论了MAM与MAA的成键作用位点,及其稳定复合物的印迹反应比例及印迹作用机理,依据结合能(△E)优化了交联剂和溶剂,并借助分子中原子理论(AIM)揭示了MAM与MAA印迹作用的本质.计算结果表明,MAM印迹分子三嗪环上的N与胺基上H均通过氢键与MAA单体进行印迹聚合反应,且在印迹反应比例为1∶6,以TL为溶剂时形成的MAM-MAA有序复合物结合能最低,构型最稳定;与TRIM及EGDMA交联剂相比,DVB与MAM结合能最低,更适宜作为MAM-MAA印迹聚合物的交联剂.本研究为MAM-MIPs合成时印迹比例、交联剂及溶剂的选择提供了理论依据. 相似文献
4.
用等离子体增强化学气相沉积技术制备类金刚石碳薄膜的摩擦磨损性能研究 总被引:3,自引:2,他引:1
利用射频-直流等离子体增强化学气相沉积技术在单晶硅衬底上沉积类金刚石碳薄膜,采用激光拉曼光谱仪和原子力显微镜对薄膜的结构和表面形貌进行表征,采用纳米压痕仪测定薄膜的硬度,并用UMT型微摩擦磨损试验机考察了薄膜在不同试验条件下的摩擦磨损性能.结果表明:所制备的类金刚石碳薄膜表面光滑致密且硬度较高;在干摩擦条件下与GCr15钢球或Al2O3球配副时显示出良好的减摩抗磨性能,摩擦系数较低,耐磨寿命较长,而在水润滑条件下同Al2O3球配副时发生灾难性磨损. 相似文献
5.
6.
7.
8.
The crystallization behavior of poly(ethylene adipate) (PEA) on highly oriented high-density polyethylene (PE) substrate both from solution and isotropic melt was studied by means of optical microscopy, differential scanning calorimetry, atomic force microscopy and electron diffraction. The results show that the PE influences the crystallization of PEA strongly, which results in an epitaxial growth of PEA with well ordered structure. At the boundary of the PE substrate, a transcrystalline PEA layer is observed. Fine structural observation illustrates that the PEA grows on the PE substrate in edge-on lamellae with fixed orientation. Electron diffraction demonstrates that the epitaxial organization of PEA on PE occurs with both polymer chains parallel, which leads to the (00l) PEA diffractions inclined ±23.5° to the chain direction of PE crystals. Combining the real space morphological observation and electron diffraction results, it is concluded that the epitaxial PEA edge-on lamellae are folded in the {00l} lattice planes. 相似文献
9.
10.