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微波辐射在绿色环保的实际柴油萃取脱硫中的作用:实验与计算研究

The role of microwave radiation in extractive desulfurization of real diesel fuel for green environment: an experimental and computational investigation.

作者信息

Mostafa Hamida Y, Khedr Ghada E, Mohamed Ard Elshifa M E, El-Aty Dina M Abd

机构信息

Refining Division, Egyptian Petroleum Research Institute(EPRI), 1 Ahmed El- Zomor St., Nasr City, 11727, Cairo, Egypt.

Nanotechnology Center, Central Analytical Laboratories, Egyptian Petroleum Research Institute (EPRI), 1 Ahmed El- Zomor St., Nasr City, 11727, Cairo, Egypt.

出版信息

BMC Chem. 2024 Oct 14;18(1):199. doi: 10.1186/s13065-024-01292-2.

DOI:10.1186/s13065-024-01292-2
PMID:39402627
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11475736/
Abstract

The process of removing sulfur compounds and aromatic compounds to produce clean fuel is an important and effective contribution to the processes of mitigating and adapting to climate change. In contrast, it is necessary to find an innovative way to remove sulfur and carcinogenic aromatic compounds because clean, low-sulfur diesel is commonly used in all countries of the world at the present time. Therefore, in this work, we have studied the effect of the microwave radiation power and the irradiation time with the use of more than one type of organic solvent; methanol, acetonitrile and ethyl acetoacetate; as an extractant and solvent to feed ratio impact on the removal of sulfur and aromatic compounds of a real diesel fuel feed which has 450 ppm sulfur content and 16 wt% aromatic Content. The results showed that the best solvent used during this work was ethyl acetoacetate. According to the results, high sulfur removal (≈ 92%) was accomplished with microwave-assisted extractive desulfurization technique under the following ideal conditions: the irradiation time is 7 min, the solvent feed ratio is 3:1 and the microwave intensity is 180 W. To reveal the mechanism of microwave-assisted extractive desulfurization via different organic solvents, a theoretical study including structural examination and interaction energy analysis on the interaction between dibenzothiophene (DBT) or dimethyl dibenzothiophene (DMDBT) and the different organic solvents was also conducted.

摘要

去除硫化合物和芳香化合物以生产清洁燃料的过程,对缓解和适应气候变化的进程有着重要且有效的贡献。相比之下,由于目前世界各国普遍使用清洁的低硫柴油,因此有必要找到一种创新方法来去除硫和致癌芳香化合物。所以,在这项工作中,我们研究了微波辐射功率和辐照时间的影响,使用了不止一种类型的有机溶剂;甲醇、乙腈和乙酰乙酸乙酯;作为萃取剂,并考察了溶剂与进料比,对一种实际柴油进料中硫和芳香化合物去除的影响,该柴油进料含硫量为450 ppm,芳香烃含量为16 wt%。结果表明,这项工作中使用的最佳溶剂是乙酰乙酸乙酯。根据结果,在以下理想条件下,通过微波辅助萃取脱硫技术实现了高脱硫率(≈92%):辐照时间为7分钟,溶剂进料比为3:1,微波强度为180瓦。为揭示通过不同有机溶剂进行微波辅助萃取脱硫的机理,还进行了一项理论研究,包括对二苯并噻吩(DBT)或二甲基二苯并噻吩(DMDBT)与不同有机溶剂之间相互作用的结构检查和相互作用能分析。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/bd272557c8d6/13065_2024_1292_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/123660b9631e/13065_2024_1292_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/fab423cca88f/13065_2024_1292_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/2e205b75c31e/13065_2024_1292_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/53b88e05ecf9/13065_2024_1292_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/bd272557c8d6/13065_2024_1292_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/123660b9631e/13065_2024_1292_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/fab423cca88f/13065_2024_1292_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/2e205b75c31e/13065_2024_1292_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/53b88e05ecf9/13065_2024_1292_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3156/11475736/bd272557c8d6/13065_2024_1292_Fig5_HTML.jpg

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