Sulfur release and transformation behaviors of sulfur-containing model compounds during pyrolysis under oxidative atmosphere

Liu, Fenrong; Xie, Linghai; Guo, Honglian; Xue, Mei; Hu, Ruisheng; Hu, Haoquan

doi:10.1016/j.fuel.2013.07.038

Cited by 42 publications

(9 citation statements)

References 12 publications

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“…Many studies about benzothiophene desulfurization have been conducted. Liu et al showed that the decomposition temperature of benzothiophene is lower during pyrolysis under an oxidative atmosphere than under inert and hydrogen atmospheres. Guo et al indicated that SO 2 , not H 2 S, is generated when acetone exists in the pyrolysis process.…”

Section: Introductionmentioning

confidence: 99%

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

Hong-liang

et al. 2019

J. Phys. Chem. A

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Thiophene sulfur is the most stable organic sulfur species in petroleum coke, among which benzothiophene accounts for a significant portion. Removal of benzothiophene will help to gain ultralow desulfurization. In this work, a density function theory (DFT) method was adopted to investigate benzothiophene pyrolysis mechanism. It was found that the most possible pyrolysis reaction of benzothiophene is triggered by α-H migration to β-position. The dominating products are S radical and ethenethione, which could explain benzothiophene pyrolysis experiments well. Converting thiophene fused on aromatic to a thiol group could help to promote desulfurization. As a contrast, the thiophene pyrolysis reaction was also calculated at the same level. The initial pyrolysis temperature of benzothiophene and thiophene may be close, but the pyrolysis rate of thiophene is higher than that of benzothiophene. The implication of the benzothiophene pyrolysis mechanism may be beneficial for the development of new desulfurization technology.

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Section: Introductionmentioning

confidence: 99%

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

Hong-liang

et al. 2019

J. Phys. Chem. A

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“…Due to the complexity of minerals and organic sulfur groups in coal, their influences for the dielectric properties of coal are difficult to analyze. Thus, the pure minerals and organic sulfur-containing model compounds were selected as research objects. − …”

Section: Methodsmentioning

confidence: 99%

“…The sulfur-containing compounds were first mixed with acetone solution placed thoroughly, and then the resulting solution was mixed with the QD under ultrasonic field. Finally, the mixture was collected for further experiment after dried …”

Section: Methodsmentioning

confidence: 99%

“…Finally, the mixture was collected for further experiment after dried. 40 a In proximate analysis, M, A, V and FC represent the moisture content in coal, the ash content in coal, the volatile matter content in coal and the fixed carbon content in coal, respectively (air-dry base). b In ultimate analysis, C, H, N, and O represent the carbon content, the hydrogen content, the nitrogen content and the oxygen content in coal, respectively (dry ashfree base).…”

Section: Methodsmentioning

confidence: 99%

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Exploration of the Combined Action Mechanism of Desulfurization and Ash Removal in the Process of Coal Desulfurization by Microwave with Peroxyacetic Acid

Tang

Wang

et al. 2017

Energy Fuels

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The combined effect of desulfurization and ash removal in the process of coal desulfurization by microwave with peroxyacetic acid was determined by evaluating variations in minerals and sulfur forms using X-ray diffraction and X-ray photoelectron spectroscopy. Dielectric properties of minerals or organic sulfur functional groups in coal were studied utilizing a vector network analyzer in the 100 MHz−6.5 GHz frequency range. Results showed that the trend of ash reduction was similar to that of desulfurization with the treatment time. The main minerals removed were kaolin, montmorillonite, and pyrite under microwave with peroxyacetic acid. The influences of minerals on the dielectric properties of pure coal were higher than those of organic sulfur containing groups. Peak values of the complex permittivity imaginary part (ε″) and magnetic loss tangent (tan δ) for pyrite or montmorillonite were significantly higher than those of the other model materials. In addition, it is found that the dielectric property curves of the mixed samples contained the characteristic peaks of the corresponding minerals or organic sulfur compounds. Thus, the sulfur-containing substances of coal could be selectively removed with heating selectivity under the microwave of a particular frequency. These findings confirmed that the cause of the combined effect was the difference of dielectric properties between minerals and organic sulfur-containing groups.

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“…All the sulphur groups in coal could be converted to hydrogen sulphide by reducing solvents [10]. Each reduction reaction has a given activation energy and frequency factor which are different for different sulphur groups [11,12]. Majchrowicz [13,14] and Garcia [15] in their research also used a similar TPR procedure to characterise organic sulphur in Belgian and US coals.…”

Section: Introductionmentioning

confidence: 99%

Development of a Temperature Programmed Identification Technique to Characterize the Organic Sulphur Functional Groups in Coal

et al. 2017

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Abstract:The Temperature Programmed Reduction (TPR) technique is employed for the characterisation of various organic sulphur functional groups in coal. The TPR technique is modified into the Temperature Programmed Identification technique to investigate whether this method can detect various functional groups corresponding to their reduction temperatures. Ollerton, Harworth, Silverdale, Prince of Wales coal and Mequinenza lignite were chosen for this study. High pressure oxydesulphurisation of the coal samples was also done. The characterization of various organic sulphur functional groups present in untreated and treated coal by the TPR method and later by the TPI method confirmed that these methods can identify the organic sulphur groups in coal and that the results based on total sulphur are comparable with those provided by standard analytical techniques. The analysis of the untreated and treated coal samples showed that the structural changes in the organic sulphur matrix due to a reaction can be determined.

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Sulfur release and transformation behaviors of sulfur-containing model compounds during pyrolysis under oxidative atmosphere

Cited by 42 publications

References 12 publications

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

Exploration of the Combined Action Mechanism of Desulfurization and Ash Removal in the Process of Coal Desulfurization by Microwave with Peroxyacetic Acid

Development of a Temperature Programmed Identification Technique to Characterize the Organic Sulphur Functional Groups in Coal

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