石油沥青质含硫结构的XANES导数光谱研究

张龙力; 王春岚; 赵元生; 杨国华; 苏梅; 杨朝合

石油沥青质含硫结构的XANES导数光谱研究

1.
中国石油大学(华东) 重质油国家重点实验室, 山东青岛 266580;
2.
胜利油田森诺胜利工程有限公司, 山东东营 257000;
3.
中国石油天然气股份有限公司石油化工研究院, 北京 100195

基金项目: 国家自然科学基金(20776160);重质油国家重点实验室开放课题资助;中石油重大科技专项专题;中国石油大学(华东)"青年教师拔尖人才建设工程"。

详细信息

通讯作者:
张龙力,副教授,博士,从事物理化学、石油化学研究。Tel:0532-86983374;E-mail:llzhang@upc.edu.cn。

中图分类号: TE622
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出版历程
- 收稿日期: 2013-06-16
- 修回日期: 2013-08-09
- 刊出日期: 2013-11-30

Speciation and quantification of sulfur compounds in petroleum asphaltenes by derivative XANES spectra

1.
State Key Laboratory of Heavy Oil, China University of Petroleum(East china), Qingdao 266580, China;
2.
Shengli Oilfield Sino-shengli Engineering Co., Ltd., Dongyin 257000, China;
3.
Petrochemical Research Institute, CNPC, Beijing 100195, China

摘要

摘要: 采用X射线近边结构谱(XANES)研究沥青质中硫的存在形态,针对沥青质的未知复杂混合体系特性,采用高阶导数谱图分析方法,提高XANES的分辨率,准确分析沥青质中硫的存在形态;采用反正切和高斯函数分峰拟合、定量解析谱图,针对不同氧化态硫3p轨道空余状态不同引起1s→3p跃迁几率不同,提出峰面积修正因子,以准确分析体系中各形态硫的相对含量。结果表明,石油沥青质中硫主要存在形式为硫醚、噻吩、亚砜、噻吩砜和硫酸酯,常减压渣油沥青质中基本不含硫醚。
- 沥青质 /
- 硫 /
- X射线吸收近边结构谱 /
- 高阶导数谱图
Abstract: The XANES spectrum is employed to study the sulfur functional groups in asphaltenes. Since the asphaltenes are complicated mixture, it is difficult to distinguish different classes of sulfur compounds in asphaltenes. Therefore, the higher order derivative spectra of sulfur XANES were introduced in order to improve sulfur XANES resolution and to qualitatively analysis sulfur functional groups in asphaltenes. Sulfur XANES spectra were deconvoluted by using of several Gaussian and arctangent functions to quantify the sulfur species. In order to convert peak area percentages to atomic percentages, the relative 1s→3p transition probabilities of different sulfur classes must be considered. The areas of the different Gaussian peaks were calculated and revised for their oxidation state-dependent absorption cross-section. The contribution of sulfur species to total sulfur was calculated by the corrected peak areas. The result showed that sulfur species in asphaltenes of atmospheric and vacuum residue were mainly in form of thiophene, sulfoxide, thiophene sulfone and sulfate, while hardly contained sulfide.
- asphaltenes /
- sulfur /
- XANES /
- higher order derivative

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参考文献(19)

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