Investigation of Behavior of Sulfur in Oil Fractions During Oil Shale Pyrolysis

Pan, Shuo; Wang, Qing; Bai, Jingru; Liu, Hongpeng; Chi, Mingshu; Cui, Da; Xu, Fang

doi:10.1021/acs.energyfuels.9b02406

Cited by 21 publications

(5 citation statements)

References 43 publications

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“…Thiophenes consist of sulfur in an aromatic carbon ring and are relatively thermally stable. 49 According to our earlier study, 50 the linear carbon skeletons in aliphatic sulfur compounds tended to undergo aromatization, affording short linear alkyl (C 1 −C 4 ) thiophene compounds during the early stage of sediment burial and secondary thermal reactions; hence, aliphatic sulfur considerably contributes to the formation of thiophene units in kerogen. Apart from organic sulfur, pyrite was also detected in the kerogen sample.…”

Section: Resultsmentioning

confidence: 92%

Experimental and Molecular Simulation Studies of Huadian Oil Shale Kerogen

et al. 2022

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Microscopic details on the intrinsic chemical reactivity of Huadian oil shale kerogen associated with electron properties of kerogen were investigated by the combination of experimental analyses and molecular simulations. Multimolecular structure models of kerogen with different densities were constructed for examining the accuracy of the proposed kerogen model. Results revealed that the simulated density of the kerogen model is in good agreement with the experimental value. Evaluation of the kerogen model revealed that the energy optimization process is mainly related to the change in the bond angle caused by atom displacement. According to the results from the Hirshfeld analysis of atomic charges, the S atoms in thiophene and S=O structures exhibit positive charges. By contrast, the concentration of electrons on the S atom led to the electronegativity of the sulfhydryl group. To investigate the distribution characteristics of electrons in kerogen, the molecular electrostatic potential (MEP) of a complete kerogen molecule was calculated. Notably, this is the first report of an MEP diagram of the kerogen model that can provide valuable information on the determination of electrophilic or nucleophilic reaction sites for kerogen.

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Section: Resultsmentioning

confidence: 92%

Experimental and Molecular Simulation Studies of Huadian Oil Shale Kerogen

et al. 2022

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Section: Resultsmentioning

confidence: 99%

“…The structure was optimized by using the DMol3 module, and the liner simutaneous transfer/quadratic simutaneous transfer (LST/QST) method was used to calculate the transition state of the reaction. [38][39][40] 4 | CONCLUSION By using steam-assisted pyrolysis, it was possible to efficiently transform PET into TPA while completely inhibiting the formation of char. And a slow heating rate is the key to achieve these goals, not only by making the pyrolysis system milder but also by giving water more opportunity to participate in the PET pyrolysis reaction.…”

Section: Isotope Tracing Analysis Of Steamassisted Pyrolysismentioning

confidence: 99%

PETpyrolysis and hydrolysis mechanism in the fixed pyrolyzer

Song

Huo

et al. 2023

Can J Chem Eng

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In the conventional polyethylene terephthalate (PET) pyrolysis process, the formation of char by excessive pyrolysis is mainly due to the dehydration mechanism, so water is considered an auxiliary agent that can effectively inhibit excessive pyrolysis. The preparation of terephthalic acid (TPA) by steam‐assisted pyrolysis of PET is an effective method to achieve closed‐loop recycling of waste PET. To ensure that the reaction is mild enough to reduce excessive cracking products such as char and benzoic acid and thus increase the yield of TPA, it is critical to reduce the reaction rate while maintaining a sufficient excess steam coefficient. Under the optimal operating conditions, when the temperature rise rate was 0.5 °C min−1 and the excess steam coefficient was 150, the yield of TPA was 72.5 wt.%, and the purity was 85.5%. Noticeably, the steam‐assisted pyrolysis system is a heterogeneous reaction system whose reaction mechanism is different from the conventional hydrolysis and pyrolysis reactions and has a unique reaction path. The mechanistic study indicates that, in addition to the thermal cracking of PET molecules occurring in conventional pyrolysis, hydroxyl attack and transfer, and supplementation of benzene ring hydrogen also occur between water and intermediate molecules. Meanwhile, it has also been proven that the intermolecular hydrogen transfer between intermediate molecules and water molecules is the key to reduce the intensity of the reaction and inhibit the formation of char. This discovery illustrates the mechanism of the reaction between water and PET in the steam‐assisted pyrolysis process in the fixed pyrolyzer and justifies the distinction between it and the pyrolysis and hydrolysis processes of PET. It provides a theoretical basis for optimizing the pyrolysis process of PET, which is essential for the industrialization of TPA preparation from PET steam‐assisted pyrolysis.

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“…In 2011, the number of horizontal drilling rigs used for tight oil development in the region increased from 10 to 140. Viking tight oil area is distributed in Alberta and Saskatchewan. − As of 2011, the announced tight oil resources in the area were 8.12 million tons, with a production capacity of approximately 2800 tons per day. Although the exploration and development of tight oil in Canada is currently in its early stages, many aspects of Canada’s basic theoretical research on tight oil are more detailed than those of the United States.…”

Section: Global Tight Oil Resources and Distributionmentioning

confidence: 99%

Review of the Development Status and Technology of Tight Oil: Advances and Outlook

Liu

2023

Energy Fuels

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Tight sandstone and shale oil reservoirs are one of the most promising and realistic important oil exploration fields in the 21st century. The research on the development technology of tight sandstone and shale oil reservoirs has important theoretical and practical significance for the exploration and development of tight sandstone and shale oil reservoirs in China. First, this article introduces the distribution of tight oil in the world and calculates the recoverable reserves of tight oil technology worldwide. The review also introduces the current status of tight oil exploration and development in major countries such as the United States, Canada, and China, including the distribution of tight oil resources, the main parameters of tight oil basins, and tight oil production. Second, it analyzes the current development status of tight oil in the United States, summarizes the four main factors that led to the success of tight oil exploration and development in the United States, and points out the impact of the successful development of tight oil in the United States on the global oil supply and demand relationship. Third, in the review of the main development technologies for tight oil, the current status, application, and progress of the main development technologies for tight oil are summarized and analyzed, including horizontal well drilling, fracturing and transformation technology, microscale seismic diagnosis, gas injection, and other technologies. Finally, the development examples of tight oil such as the Bakun shale in the United States are analyzed, and the application effects and experiences of horizontal well volume fracturing in regions such as the United States are summarized.

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Investigation of Behavior of Sulfur in Oil Fractions During Oil Shale Pyrolysis

Cited by 21 publications

References 43 publications

Experimental and Molecular Simulation Studies of Huadian Oil Shale Kerogen

Experimental and Molecular Simulation Studies of Huadian Oil Shale Kerogen

PETpyrolysis and hydrolysis mechanism in the fixed pyrolyzer

Review of the Development Status and Technology of Tight Oil: Advances and Outlook

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