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Molecular composition of naphthenic acids in a Chinese heavy crude oil and their impacts on oil viscosity 被引量:1
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作者 Qian-Hui Zhao Shuai M +7 位作者 Jian-Xun Wu Wei-Feng Chang Sheng-Fei Zhang Xin-Ge Sun Bing Zhou Zeng-Min Lun keng h.chung Quan Shi 《Petroleum Science》 SCIE EI CAS CSCD 2023年第2期1225-1230,共6页
Most heavy crude oils underwent biodegradation and generated a significant amount of naphthenic acids. Naphthenic acids are polar compounds with the carboxylic group and are considered as a major factor affecting the ... Most heavy crude oils underwent biodegradation and generated a significant amount of naphthenic acids. Naphthenic acids are polar compounds with the carboxylic group and are considered as a major factor affecting the oil viscosity. However, the relationship between the molecular composition of naphthenic acids and oil viscosity is not well understood. This study examined a “clean” heavy oil with low contents of heteroatoms but had a high content of naphthenic acids. Naphthenic acids were fractionated by distillation and caustic extraction. The molecular composition was characterized by high-resolution Orbitrap mass spectrometry. It was found that the 2- and 3-ring naphthenic monoacids with 15–35 carbon atoms are dominant components of the acid fractions;the caustic extraction is capable of isolating naphthenic acids with less than 35 carbons, which is equivalent to the upper limit of the distillable components, but not those in the residue fraction;the total acid number of the heavy distillates is higher than that of the residue fraction;the viscosity of the distillation fraction increases exponentially with an increased boiling point of the distillates. Blending experiments indicates that there is a strong correlation between the oil viscosity and acids content, although the acid content is only a few percent of the total oil. 展开更多
关键词 Heavy crude oil VISCOSITY High-resolution mass spectrometer Naphthenic acid
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Athabasca油砂沥青中重组分的分子模拟 被引量:14
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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
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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
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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
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Molecular characterization of polar heteroatom species in oilsands bitumen-derived vacuum residue fractions by Fourier transform ion cyclotron resonance mass spectrometry
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作者 Fang Zheng Warren Chung +4 位作者 Eusebio Palmisano Dahai Dong Quan Shi Zhiming Xu keng h.chung 《Petroleum Science》 SCIE CAS CSCD 2019年第5期1196-1207,共12页
A Canadian in situ oilsands bitumen-derived vacuum residue(VR)was subjected to supercritical fluid extraction and fractionation(SFEF)into 13 extractable fractions and an unextractable end-cut and characterized by posi... A Canadian in situ oilsands bitumen-derived vacuum residue(VR)was subjected to supercritical fluid extraction and fractionation(SFEF)into 13 extractable fractions and an unextractable end-cut and characterized by positive-and negative-ion electrospray ionization(ESI)Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS).The results of negative-ion ESI FT-ICR MS showed that the N1 class species was the most abundant and the multifunctional group compounds,such as N1 O1,N1 O2,N1 S1,N1 S2,and N2 class species became abundant as the SFEF fraction became heavier.In positive-ion ESI mode,the relative abundance of N1 class species decreased gradually in the heavy SFEF fractions while that of multifunctional group compounds increased.The relative abundance of N4 V1 O1 increased dramatically in heavy fractions and the end-cut.The distributions of polar heteroatom species of VR derived from oilsands bitumen were similar with those of VR derived from the Venezuela Orinoco extra heavy oil. 展开更多
关键词 Molecular characterization Canadian oilsands bitumen SFEF ESI FT-ICR MS
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