期刊文献+
共找到2篇文章
< 1 >
每页显示 20 50 100
Athabasca油砂沥青中重组分的分子模拟 被引量:14
1
作者 高金森 徐春明 +1 位作者 luba s.kotlyar Keng H.CHUNG 《化工学报》 EI CAS CSCD 北大核心 2003年第1期9-17,共9页
利用分子模拟技术对加拿大Athabasca油砂沥青超临界萃取分馏残渣组分的化学分子结构进行了研究 ,首先选用长度不同的桥链构建了其三维平均结构 ,然后采用分子力学 (MM)和分子动力学 (MD)方法得到能量最低也即最稳定的构象 .研究发现 ,... 利用分子模拟技术对加拿大Athabasca油砂沥青超临界萃取分馏残渣组分的化学分子结构进行了研究 ,首先选用长度不同的桥链构建了其三维平均结构 ,然后采用分子力学 (MM)和分子动力学 (MD)方法得到能量最低也即最稳定的构象 .研究发现 ,即使分子的二维结构相同 ,其三维结构差别也很大 ,由此可见仅用二维模型来表征重质油大分子的结构和物理化学性质远远不够 .另外 ,分子模拟还可以预测沥青质残渣中最有可能存在的桥链长度 .Athabasca沥青残渣组分中长度为C5到C7的桥链存在的可能性最大 ,而C1和C2桥链则由于其总能量相对较高 。 展开更多
关键词 Athabasca油砂沥青 分子模拟 重组分 分子结构 分子力学 分子动力学 超临界萃取 分馏残渣
下载PDF
用于制备聚氨酯纳米复合物的高岭石粒子的表征(英文) 被引量:2
2
作者 李再峰 王义银 +1 位作者 luba s.kotlyar Keng H.Chung 《无机化学学报》 SCIE CAS CSCD 北大核心 2003年第11期1261-1265,共5页
Clay such as kaolinite, is commonly used as an additive to modify the thermal properties of polymer. In this paper, the morphology, composition, shape and structure of kaolinite was characterized by various advanced t... Clay such as kaolinite, is commonly used as an additive to modify the thermal properties of polymer. In this paper, the morphology, composition, shape and structure of kaolinite was characterized by various advanced techniques. The TEM/ EDX data showed that the kaolinite had a larger particle size and a Si/Al ratio of 1.8. The individual particle of kaolinite was a single crystalline. TEM also showed that these particles were always stacked together due to the presence of electrostatic cohesive energy and hydrogen bond between plaletes. The PAS FTIR spectra showed that no absorbance of hydroxyl group for hydration water in hydrogen bond region or at 1650cm- 1 was observed at room temperature. It meant a little ability to adsorb water for kaolinite particle. Kaolinite clay also showed no change for its PAS FTIR spectra with increasing temperature. The TGA results revealed that kaolinite almost doesn′ t lose weight at 60℃ due to loss of dehydration of absorbed water, however, it will decomposed around 510℃ and lose its hydroxyl functional group in the form of water (dehydroxylation). The result is consistent with that of PAS FTIR analysis. This suggests that the structural hydroxyl group on the surface of individual kaolinite clay particle is very stable below 500℃ , and the kaolinite composed polymer could be got by the reaction of its stable structural hydroxyl group with isocynate group of polyurethane prepolymer. 展开更多
关键词 制备 聚氨酯 纳米复合聚合物 高岭石粒子 表征
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部