Enhancing catalytic activity of Cr2O3 in CO2-assisted propane dehydrogenation with effective dopant engineering: a DFT-based microkinetic simulation

Jan, Faheem; Zhi, Shuaike; Sun, XiaoYing; Li, Bo

doi:10.1039/d3cp05548e

Cited by 3 publications

(1 citation statement)

References 48 publications

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“…Additionally, it is an important component in synthetic materials such as plastics, fibers, and rubber, with a wide range of applications and has considerable economic value. 6–13 However, the traditional propene production process mainly relies on the refining of petroleum and light diesel oil, 14,15 which is achieved through alkylation, dehydrogenation, or cracking of alkanes. These methods require severe conditions, such as high temperature and pressure, thus resulting in a large amount of energy consumption, low yield and conversion rate, and serious environmental pollution.…”

Section: Introductionmentioning

confidence: 99%

OEEFs precisely regulating the propane oxidation reaction catalyzed by O–Fe-corrolazine

Song,

Yang,

Yang

et al. 2024

New J. Chem.

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Section: Introductionmentioning

confidence: 99%

OEEFs precisely regulating the propane oxidation reaction catalyzed by O–Fe-corrolazine

Song,

Yang,

Yang

et al. 2024

New J. Chem.

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High-Performance Supercapacitors Using Compact Carbon Hydrogels Derived from Polybenzoxazine

Asrafali,

Periyasamy,

Lee

2024

Gels

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Polybenzoxazine (PBz) aerogels hold immense potential, but their conventional production methods raise environmental and safety concerns. This research addresses this gap by proposing an eco-friendly approach for synthesizing high-performance carbon derived from polybenzoxazine. The key innovation lies in using eugenol, ethylene diamine, and formaldehyde to create a polybenzoxazine precursor. This eliminates hazardous solvents by employing the safer dimethyl sulfoxide. An acidic catalyst plays a crucial role, not only in influencing the microstructure but also in strengthening the material’s backbone by promoting inter-chain connections. Notably, this method allows for ambient pressure drying, further enhancing its sustainability. The polybenzoxazine acts as a precursor to produce two different carbon materials. The carbon material produced from the calcination of PBz is denoted as PBZC, and the carbon material produced from the gelation and calcination of PBz is denoted as PBZGC. The structural characterization of these carbon materials was analyzed through different techniques, such as XRD, Raman, XPS, and BET analyses. BET analysis showed increased surface of 843 m2 g−1 for the carbon derived from the gelation method (PBZGC). The electrochemical studies of PBZC and PBZGC imply that a well-defined morphology, along with suitable porosity, paves the way for increased conductivity of the materials when used as electrodes for supercapacitors. This research paves the way for utilizing heteroatom-doped, polybenzoxazine aerogel-derived carbon as a sustainable and high-performing alternative to traditional carbon materials in energy storage devices.

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Tailoring the Surface of Sintered Magnesia–Chromia Catalyst with a Sol–Gel Auto-Combustion Technique

Periyasamy,

Asrafali,

Lee

2024

Processes

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The research presented in this work explores two methods for synthesizing supported metal catalysts: wet impregnation method (IM) and sol–gel auto-combustion method (AC). These techniques were used to create a series of magnesium oxide (MgO)-based materials, including pure MgO and MgO-supported chromia catalysts, CrMgX, varying the weight percentage of chromium. The specific materials synthesized are unmodified MgO; MgO loaded with 1, 3, and 5 wt% CrO3 via impregnation; and counterparts prepared with the same loadings using Cr (NO3)3 via sol–gel auto-combustion method. After synthesis, various characterization techniques were utilized to analyze the samples comprehensively. These methods encompass FTIR, Raman spectroscopy, XRD, SEM, and BET surface area analysis. The investigation revealed a clear distinction between the two synthesis methods. While the impregnation method resulted in a greater degree of interaction between the metal oxides, the sol–gel auto-combustion approach yielded materials with superior textural and morphological properties. Significantly, the BET analysis demonstrated that all the MgO and CrMgX catalysts possessed high surface areas. In particular, the CrMg 3 (AC) catalysts synthesized via sol–gel auto-combustion exhibited an exceptional surface area of 72 m2 g−1, which is the highest value reported for such materials in the existing literature. This remarkable surface area directly translates to enhanced catalytic activity, making these materials strong contenders for various industrial applications. The research effectively highlights the potential of sol–gel auto-combustion as a method for producing catalysts with outstanding textural properties, a crucial factor for developing high-performance catalysts for industrial processes.

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Enhancing catalytic activity of Cr₂O₃ in CO₂-assisted propane dehydrogenation with effective dopant engineering: a DFT-based microkinetic simulation

Abstract: Using CO2 as a mild oxidizing agent in the propane dehydrogenation (PDH) presents an attractive pathway for the generation of propene while maintaining high selectivity. Cr2O3 is one of the...

Cited by 3 publications

References 48 publications

OEEFs precisely regulating the propane oxidation reaction catalyzed by O–Fe-corrolazine

OEEFs precisely regulating the propane oxidation reaction catalyzed by O–Fe-corrolazine

High-Performance Supercapacitors Using Compact Carbon Hydrogels Derived from Polybenzoxazine

Tailoring the Surface of Sintered Magnesia–Chromia Catalyst with a Sol–Gel Auto-Combustion Technique

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