Influence of phosphorus content on properties and performance of NiW nanocatalyst supported on activated red mud in atmospheric diesel hydrodesulfurization

Ebrahiminejad, Mitra; Karimzadeh, Ramin

doi:10.1016/j.jhazmat.2019.121485

Cited by 28 publications

(4 citation statements)

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“…44 We thus posit that the presence of gap states in some low-P-concentration models may contribute to the experimentally observed P concentration dependence of catalytic activity. [29][30][31][32][33][34][35][36][37]45,46 Another interesting result of our investigations regards the correlation between the workfunction, ϕ, and the number of P atoms in O-terminated models compared to OH-terminated models. We find that ϕ decreases as the number of P atoms increases.…”

Section: Discussionmentioning

confidence: 75%

“…Gap states play an important role in catalysis and photocatalysis . We thus posit that the presence of gap states in some low-P-concentration models may contribute to the experimentally observed P concentration dependence of catalytic activity. − ,, …”

Section: Discussionmentioning

confidence: 98%

“…Numerous studies − have shown that the catalytic influence of P-doped alumina strongly depends on the dopant concentration. In this context, P doping concentrations ranging up to 6 wt % have been experimentally investigated, with the optimal concentration found to be around 1.5–2.0 wt % to achieve peak catalytic enhancements.…”

Section: Discussionmentioning

confidence: 99%

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Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces

Acikgoz,

He,

Pavanello

2023

J. Phys. Chem. C

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Doping γ-Al2O3 has commonly been employed to adjust the electronic, mechanical, and optical properties of alumina. Our study aims to elucidate the arrangement and local atom-level structure of P atoms on γ-Al2O3 surfaces. We also seek to establish structure–function relationships in particular regarding the surface’s electronic properties. Utilizing a previously established surface template [Phys. Chem. Chem. Phys., 2019, 21, 15080], we present pseudopotential-based periodic density functional theory (DFT) simulations, exploring 72 distinct surface models encompassing various P positions, as well as O- and OH-terminated structures. These simulations yield comprehensive atom-level characterization of the doped surfaces. In order to mimic real-world systems that align with synthesized P-doped γ-Al2O3 nanoparticles, our surface models encompass several concentrations of P atoms and various P–O–P chain motifs. Our computational analyses reveal that the electronic properties of the surface are profoundly influenced by the spatial arrangement and coordination of P dopant atoms and are less sensitive to the concentration of P atoms on the surface.

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Section: Discussionmentioning

confidence: 75%

Section: Discussionmentioning

confidence: 98%

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Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces

Acikgoz,

He,

Pavanello

2023

J. Phys. Chem. C

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“…Strict environmental regulations on sulfur contents of common fuels have brought about substantial efforts by industry to meet the new fuel requirements . In this concept, the hydrodesulfurization (HDS) process for reducing sulfur compounds has become very popular although it generally needs a high feed supply. , On one hand, reduced operational pressure typically leads to more economic feasibility of the HDS process compared to other rivals. On the other hand, commercial HDS catalysts often consist of Ni–Mo or Co–Mo loaded on an alumina support.…”

Section: Introductionmentioning

confidence: 99%

Effectiveness Study of Mesoporous Size, Acidity, and Precursor Type on Characterization of Activated Carbon as an Fe–Mo Catalyst Support for Hydrodesulfurization of Heavy Naphtha

Soleymani

Karimzadeh

Rashidi³

et al. 2023

Ind. Eng. Chem. Res.

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The main goal of this research is to evaluate the effects of various parameters on the synthesis of a Fe−Mo catalyst supported on an in-house developed mesoporous activated carbon. For this purpose, mesoporous carbon has been prepared from grape branches and oil palm trunks under various activation times and drying periods. Consequently, optimum values of the aforementioned parameters have been obtained in order to synthesize an efficient support for developing a heavy naphtha hydrodesulfurization (HDS) catalyst. Subsequently, a mixture of Fe−Mo with a weight ratio of 1:3 has been loaded on the developed supports through a wet impregnation method. Various experimental analyses including X-ray diffraction (XRD), Fourier transform infrared (FTIR), Brunauer−Emmett−Teller (BET), temperature programmed desorption (TPD), temperature programmed reduction (TPR), field-emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), X-ray fluorescence (XRF), thermogravimetric analysis (TGA), and energy dispersive X-ray (EDX) have been undertaken to determine the characteristics of synthetic catalysts and activated carbons. Once an appropriate catalyst has been synthesized on the basis of the experimental analyses, its performance for hydrodesulfurization of heavy naphtha has been investigated and has been compared to the efficiency of a catalyst with a commercial activated carbon support. The obtained results reveal that the sulfur conversions of heavy naphtha containing 900 ppm sulfur compounds at atmospheric pressure and at 340 °C are around 78 and 55% for the desulfurization process using the synthesized catalyst in the present work and the used commercial catalyst, respectively. It has also been found that a combination of grape branches and oil palm trunks contributes to an efficient mesoporous carbon structure, an acceptable thermal stability, and the development of a cost-effective support for the synthesis of an industrially viable HDS catalyst.

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Mechanical and microstructural properties of cement-treated marine dredged clay with red mud and phosphogypsum

Wan

Ding

Jiao

et al. 2022

Bull Eng Geol Environ

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Influence of phosphorus content on properties and performance of NiW nanocatalyst supported on activated red mud in atmospheric diesel hydrodesulfurization

Cited by 28 publications

References 76 publications

Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces

Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces

Effectiveness Study of Mesoporous Size, Acidity, and Precursor Type on Characterization of Activated Carbon as an Fe–Mo Catalyst Support for Hydrodesulfurization of Heavy Naphtha

Mechanical and microstructural properties of cement-treated marine dredged clay with red mud and phosphogypsum

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Influence of phosphorus content on properties and performance of NiW nanocatalyst supported on activated red mud in atmospheric diesel hydrodesulfurization

Cited by 28 publications

References 76 publications

Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al2O3 Surfaces

Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al2O3 Surfaces

Effectiveness Study of Mesoporous Size, Acidity, and Precursor Type on Characterization of Activated Carbon as an Fe–Mo Catalyst Support for Hydrodesulfurization of Heavy Naphtha

Mechanical and microstructural properties of cement-treated marine dredged clay with red mud and phosphogypsum

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Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces

Coordination and Penetration Depth of Dopant P Atoms Determine the Electronic Properties of γ-Al₂O₃ Surfaces