Citation: ZHANG Long-li, WANG Chun-lan, ZHAO Yuan-sheng, YANG Guo-hua, SU Mei, YANG Chao-he. Speciation and quantification of sulfur compounds in petroleum asphaltenes by derivative XANES spectra[J]. Journal of Fuel Chemistry and Technology, ;2013, 41(11): 1328-1335. shu

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

1.
1. State Key Laboratory of Heavy Oil, China University of Petroleum(East china), Qingdao 266580, China;

Corresponding author: ZHANG Long-li,
Received Date: 16 June 2013
Available Online: 9 August 2013
Fund Project: 国家自然科学基金(20776160) (20776160)中国石油大学(华东)"青年教师拔尖人才建设工程"。 (华东)

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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