Shock tube pyrolysis of thiophene

Memon, Hafeez Ur Rahman; Williams, Alan; Williams, Paul T.

doi:10.1002/er.870

Cited by 45 publications

(22 citation statements)

References 8 publications

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“…As illustrated in the introduction, earlier studies suggested that pyrolysis of thiophene is triggered by the C–S fission and quantum chemical calculation indicated that α-H migration to S site is more likely to occur compared to C–S fission. − In this paper, this discussion was also introduced in benzothiophene pyrolysis mechanism. The possible initial reaction steps of benzothiophene pyrolysis can be mainly divided into two groups: bond rupture and H(proton)-migration.…”

Section: Resultsmentioning

confidence: 89%

“…It is known that quantum chemical calculation plays a major role in chemical reaction mechanism study. Earlier studies, relying on experiment, suggested that pyrolysis of thiophene is triggered by the C–S fission. − However, recent studies using quantum chemical calculation, indicated that α-H migration to S site is more likely to take place compared with C–S fission. − Hence quantum chemical research on benzothiophene pyrolysis behavior is necessary to promote the understanding of pyrolysis mechanism.…”

Section: Introductionmentioning

confidence: 99%

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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: Resultsmentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

Hong-liang

et al. 2019

J. Phys. Chem. A

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“…e mechanism by which thiophenes burn remains unclear. e early studies on the combustion of thiophene were mainly carried out by experiments [20][21][22][23][24], and the combustion products detected were mainly alkynes, H 2 S and CS 2 .…”

Section: Combustion Experimentationmentioning

confidence: 99%

[Retracted] Influence of Sulfur and Additives on Wear of Exhaust Valve Seat of Cylinder Head

Zhao¹,

Zhang²,

Dou³

et al. 2021

Complexity

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In this paper, taking a certain type of high-power diesel engine exhaust valve abnormal wear phenomenon as an example, we conduct research on the exhaust valve surface micromorphology characteristics, contact surface accumulation products, additive transition layer, and combustion test. These passed diesel sulfur content comparative test, diesel additive composition analysis, and high-sulfur-content and low-sulfur-content diesel and diesel oil additive action test. At present, there is no authoritative research on the influence of sulfur content in diesel on valve seat wear of high-power diesel engines, and the protection mechanism of diesel additives on the valve seat is not clear. The sulfur in diesel, like the lead in gasoline, has long been known to resist wear in the valve seats of high-power diesel engines; just as gasoline additives compensate for the loss of lead, diesel oil additives seem to compensate for the loss of sulfur. Tests show that a uniform carbon deposition layer is formed on the contact surface after the diesel is burned, and the carbon deposition layer is more densely and uniformly adsorbed on the contact surface under the action of diesel additives to form an antiwear layer. Tests also show that the sulfur in diesel has no effect on the wear resistance of the valve seat.

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“…Zhao et al [243] conducted a series of pyrolysis on inorganically desulfurized coals at temperatures ranging from 673 K to 1173 K. They observed that most of the organic sulfur escaped as H 2 S. Calkins [244] conducted pyrolysis of raw and pyrite removed Pittsburgh #8 coal in a pyroprobe GC/MS at temperatures of 523-1273 K. He observed H 2 S, COS, CS 2 , CH 3 SH, SO 2 , and mostly thiophene and thiophenic compounds in the gaseous product. Investigations on the pyrolysis of thiophene and thiophenic compounds have concluded that H 2 S is the major compound released [245][246][247][248]. Therefore, it can be concluded that H 2 S is the main compound resulting from pyrolysis of organic sulfur.…”

Section: Effect Of Blending Coal and Biomass/waste On The Fate Of Sulmentioning

confidence: 99%

A Review of Thermal Co-Conversion of Coal and Biomass/Waste

2014

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Abstract:Biomass is relatively cleaner than coal and is the only renewable carbon resource that can be directly converted into fuel. Biomass can significantly contribute to the world's energy needs if harnessed sustainably. However, there are also problems associated with the thermal conversion of biomass. This paper investigates and discusses issues associated with the thermal conversion of coal and biomass as a blend. Most notable topics reviewed are slagging and fouling caused by the relatively reactive alkali and alkaline earth compounds (K 2 O, Na 2 O and CaO) found in biomass ash. The alkali and alkaline earth metals (AAEM) present and dispersed in biomass fuels induce catalytic activity during co-conversion with coal. The catalytic activity is most noticeable when blended with high rank coals. The synergy during co-conversion is still controversial although it has been theorized that biomass acts like a hydrogen donor in liquefaction. Published literature also shows that coal and biomass exhibit different mechanisms, depending on the operating conditions, for the formation of nitrogen (N) and sulfur species. Utilization aspects of fly ash from blending coal and biomass are discussed. Recommendations are made on pretreatment options to increase the energy density of biomass fuels through pelletization, torrefaction and flash pyrolysis to reduce transportation costs.

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Shock tube pyrolysis of thiophene

Cited by 45 publications

References 8 publications

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

DFT Research on Benzothiophene Pyrolysis Reaction Mechanism

[Retracted] Influence of Sulfur and Additives on Wear of Exhaust Valve Seat of Cylinder Head

A Review of Thermal Co-Conversion of Coal and Biomass/Waste

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