scholarly journals Propane oxidative dehydrogenation over highly selective hexagonal boron nitride catalysts: The role of oxidative coupling of methyl

2019 ◽  
Vol 5 (3) ◽  
pp. eaav8063 ◽  
Author(s):  
Jinshu Tian ◽  
Jiangqiao Tan ◽  
Mingliang Xu ◽  
Zhaoxia Zhang ◽  
Shaolong Wan ◽  
...  

Hexagonal boron nitride (h-BN) catalyst has recently been reported to be highly selective in oxidative dehydrogenation of propane (ODHP) for olefin production. In addition to propene, ethylene also forms with much higher overall selectivities to C2-products than to C1-products. In this work, we report that the reaction pathways over the h-BN catalyst are different from the V-based catalysts in ODHP. Oxidative coupling reaction of methyl, an intermediate from the cleavage of C─C bond of propane, contributes to the high selectivities to C2-products, leading to more C2-products than C1-products over the h-BN catalyst. This work not only provides insight into the reaction mechanisms involved in ODHP over the boron-based catalysts but also sheds light on the selective oxidation of alkanes such as direct upgrading of methane via oxidative upgrading to ethylene or CHxOy on boron-based catalysts.

Fuel ◽  
2002 ◽  
Vol 81 (11-12) ◽  
pp. 1593-1597 ◽  
Author(s):  
Longya Xu ◽  
Sujuan Xie ◽  
Shenglin Liu ◽  
Liwu Lin ◽  
Zhijian Tian ◽  
...  

2020 ◽  
Author(s):  
Peter Kraus ◽  
R. Peter Lindstedt

We investigate the role of gas-phase phenomena in the heterogeneous oxidative dehydrogenation of propane over hexagonal boron nitride. We apply a recently developed gas-phase combustion model for low-temperature combustion of propane and couple it with several surface microkinetic mechanisms to probe the selectivity limits using the open-source flame solver Cantera. We show that while the conversion of propane is surface-driven, the selectivities are significantly influenced by the gas-phase, especially when dilute catalyst beds are used.<br>


2021 ◽  
Author(s):  
Peter Kraus ◽  
R. Peter Lindstedt

We investigate the role of gas-phase phenomena in the heterogeneous oxidative dehydrogenation of propane over hexagonal boron nitride. We apply a recently developed gas-phase combustion model for low-temperature combustion of propane and couple it with several surface microkinetic mechanisms to probe the selectivity limits using the open-source flame solver Cantera. We show that while the conversion of propane is surface-driven, the selectivities are significantly influenced by the gas-phase, especially when dilute catalyst beds are used.<br>


2021 ◽  
Author(s):  
Peter Kraus ◽  
R. Peter Lindstedt

We investigate the role of gas-phase phenomena in the heterogeneous oxidative dehydrogenation of propane over hexagonal boron nitride. We apply a recently developed gas-phase combustion model for low-temperature combustion of propane and couple it with several surface microkinetic mechanisms to probe the selectivity limits using the open-source flame solver Cantera. We show that while the conversion of propane is surface-driven, the selectivities are significantly influenced by the gas-phase, especially when dilute catalyst beds are used.<br>


2012 ◽  
Vol 518 (2) ◽  
pp. 127-132 ◽  
Author(s):  
Bin Zhao ◽  
Aouatef Bellamine ◽  
Li Lei ◽  
Michael R. Waterman

2018 ◽  
Vol 15 (7) ◽  
pp. 989-994 ◽  
Author(s):  
Ling Li ◽  
Bo Su ◽  
Yuxiu Liu ◽  
Qingmin Wang

Aim and Objective: During the investigation of sodium nitrite-catalyzed oxidative coupling reaction of aryls, an unprecedented C(sp2)-H and C(sp3)-H coupling of substituted 2-aryl acetonitrile was found. Materials and Methods: The structure of the coupled product was confirmed by 1H and 13C NMR spectroscopy and high-resolution mass spectrometry (HRMS), and comparison of its derivatives with known compounds. The effects of methoxy group in the benzene ring on the reaction were evaluated. Results: The optimized reaction conditions are summarized as follows: CF3SO3H/substrate = 1.5 equiv., NaNO2/substrate = 0.3 equiv., CH3CN as solvent. 2-(4-Methoxyphenyl)acetonitrile and 2-(3,4,5- trimethoxyphenyl)acetonitrile could also generate C(sp2)-H and C(sp3)-H coupling. The coupling reaction occurred as a typical radial mechanism. Conclusion: An unprecedented cyano-induced, NaNO2-catalyzed oxidative C(sp3)-H and C(sp2)-H coupling was reported. The reaction proceeded under very mild conditions, using O2 in the air as terminal oxidant. The unique oxidative manner might provide more inspiration for the development of intriguing oxidative coupling reactions.


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