Quantum chemical calculation on the behavior of sulfur compounds in a photochemical desulfurization process for light oils using organic two-phase extraction

被引：0

作者：

Shiraishi, Y ^{[1
]}

Hirai, T

Komasawa, I

机构：

[1] Osaka Univ, Grad Sch Engn Sci, Dept Sci & Chem Engn, Toyonaka, Osaka 5608531, Japan

[2] Osaka Univ, Res Ctr Solar Energy Chem, Toyonaka, Osaka 5608531, Japan

来源：

SOLVENT EXTRACTION RESEARCH AND DEVELOPMENT-JAPAN | 2002年 / 9卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The desulfurization behavior of sulfur-containing compounds, during a desulfurization process for light oils based on UV irradiation and an oil/acetonitrile two-phase extraction, has been investigated. Electronic parameters, obtained by semiempirical MO calculations, were correlated with the distribution behavior of sulfur compounds. The distribution of dibenzothiophenes (DBTs) and benzothiophenes (BTs) from tetradecane into acetonitrile was found to decrease with increasing electrophilic superdelocalizability (SE) values for the compounds, a hydrophobicity parameter. The results agreed reasonably well with the data obtained from the light oil/acetonitrile system, thus suggesting that DBTs and BTs in light oil, having alkyl substituents of low carbon number, are desulfurized more easily, owing to their low hydrophobicity.

引用

页码：133 / 140

页数：8

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