On the Formation of Pentylpiperidine in the Hydrodenitrogenation of Pyridine

Wang, Huamin; Prins, R.

doi:10.1007/s10562-008-9615-1

Cited by 12 publications

(18 citation statements)

References 28 publications

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“…3,13,[17][18][19] The calculations considered also Ni, Rh and Ir because a previous computational study showed that surfaces based on these metals displayed low to moderate activation energy barriers for dissociating the O-H in methanol. 28 These transition metals were used to design a working set of bimetallic catalyst surface models.…”

Section: Catalyst Surface Models and Computational Detailsmentioning

confidence: 99%

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Methanol dissociation on bimetallic surfaces: validity of the general Brønsted–Evans–Polanyi relationship for O–H bond cleavage

2016

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Density functional theory (DFT) calculations were employed to study the dissociation of the O-H bond in methanol on several planar and stepped bimetallic transition metal surfaces, composed of elements showing high or moderate activity towards this reaction, namely, Ni, Rh, Ru, Ir, Pd, Au, Zn and Cu. The activation energies for the O-H bond cleavage were compared with those estimated using a Brønsted-Evans-Polanyi (BEP) relationship for the RO-H bond breakage on pure metal transition surfaces, relating the activation energy for the reaction with the adsorption energies of the reaction products, ROc and Hc adsorbed on the surface of the catalyst. Furthermore, the average differences between the values of the activation energies calculated with the exhaustive determination of the full reaction path and location of the transition state on each surface model and the activation energies obtained from the BEP relationship with the simple calculation of the adsorption energies of the ROc and Hc species are $0.14 eV. This suggests that the BEP relationship developed upon the consideration of data for dissociation of the O-H bond in alcohols and water on pure metal surfaces is also valid for a qualitative prediction of the methanol activation energy on bimetallic surfaces.

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Section: Catalyst Surface Models and Computational Detailsmentioning

confidence: 99%

“…14-16 Understandingly, several other bimetallic catalysts were investigated for hydrogen production; for instance, gold-and palladium based Au-Ru/ Fe 2 O 3 , Au-Cu/TiO 2 and Au-Pd/ZnO, 3,[17][18][19] or Pd-Cu/ZnAl 2 O 4 (ref. 20) bimetallic catalysts were found to reduce the formation of CO, CH 4 or coke byproducts.…”

mentioning

confidence: 99%

Methanol dissociation on bimetallic surfaces: validity of the general Brønsted–Evans–Polanyi relationship for O–H bond cleavage

2016

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“…The HDN activity of Pt _ 1.5P catalyst little changed with higher reduction temperature. The order of maximum HDN activities of the NM _ 1.5P catalysts was Rh _ P Ru _ P Pd _ P Pt _ P. Since the aromatic C _ N bond is stronger than the aliphatic C _ N bond 45) , the removal of the nitrogen atom is carried out through hydrogenation of the aromatic structure and breaking of the resulting aliphatic C _ N bond 28),45), 46) . Thus, NiMo and NiW catalysts, which have higher hydrogenation activity than CoMo catalyst, are often used for the HDN reaction 45) .…”

Section: Hydrodenitrogenation Activities Of Noble Metalmentioning

confidence: 99%

“…Furthermore, since organic nitrogen compounds are well known to poison HDS catalyst 42) 45) , any high performance HDS catalyst should have high hydrodenitrogenation (HDN) activity. HDN of aromatic nitrogen compound occurs through hydrogenation of the aromatic ring, followed by cleavage of the C _ N bond to form NH3 and hydrocarbon 28),45), 46) . Therefore, high hydrogenation activity is one of the important characteristics of highly active HDS catalyst.…”

Section: Introductionmentioning

confidence: 99%

Noble Metal Phosphides as New Hydrotreating Catalysts: Highly Active Rhodium Phosphide Catalyst

Kanda

Uemichi

2015

J. Jpn. Petrol. Inst.

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Metal phosphide has been widely investigated as a hydrotreating catalyst. The preparation and performance of noble metal phosphide catalyst was examined to develop new phosphide hydrotreating catalysts. The supports affect reducibility of phosphate as a P precursor. Since phosphate does not strongly interact with SiO2 and TiO2 supports, Rh2P was easily formed on these supports. Furthermore, formation of Rh2P enhanced the hydrodesulfurization (HDS) activity of supported Rh _ P catalyst. The type of noble metal (NM) and P/NM ratio also strongly affect formation of noble metal phosphide and HDS activity. Excess P facilitates formation of noble metal phosphides at lower reduction temperature. In contrast, excess P causes the aggregation of noble metal phosphide and formation of phosphorus rich noble metal phosphide. Rh _ 1.5P/SiO2 catalyst had high and stable activity for HDS reaction. Furthermore, this catalyst showed significantly higher hydrodenitrogenation (HDN) activity than sulfided NiMoP/Al2O3 catalyst. Therefore, Rh2P has great potential as a new hydrotreating catalyst.

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“…2-Methylpyrrolidine and 2-methylpyrrole react with pentylamine to form N-alkylated compounds during the HDN of 2-methylpyrrolidine over NiMo/Al2O3 catalyst 18) . Other products with high selectivity were observed in the HDN of pyrrole over NiMoP/Al2O3 catalyst, as shown in Table 1.…”

Section: 2 Effect Of W/f On Catalytic Activity Formentioning

confidence: 99%

Hydrodenitrogenation of Pyrrole over Silica-supported Ruthenium Phosphide Catalyst

Kanda

Araki

Sugioka

et al. 2013

J. Jpn. Petrol. Inst.

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Catalytic properties of ruthenium phosphide (Ru2P) supported on silica for hydrodenitrogenation (HDN) of pyrrole were compared with those of Ru/SiO2 catalyst to clarify the effect of phosphidation. At higher W/F (652 g h mol -1 ), pyrrole conversion over Ru/SiO2 catalyst remarkably decreased with increasing reduction temperature. In contrast, pyrrole conversion over P-added Ru (Ru _ P/SiO2) catalyst at the same W/F was enhanced with increasing reduction temperature due to Ru2P formation. This activity was higher than that of sulfided NiMoP/Al2O3 catalyst but lower than that of Ru/SiO2 catalyst at the same W/F. At lower W/F (130-391 g h mol -1 ), Ru _ P/SiO2 catalyst showed higher activity and stability for pyrrole HDN than Ru/SiO2 catalyst. The cracking products (almost all CH4) were formed over Ru/SiO2 catalysts and butanes were formed over Ru _ P/SiO2 catalysts. The results of CO adsorption and TEM images revealed that the particle size of Ru _ P/SiO2 catalyst was smaller than that of Ru/ SiO2 catalyst. The TOF of Ru _ P/SiO2 catalyst increased with reduction temperature, and this TOF was lower than that of Ru/SiO2 catalyst. After HDN reaction, the peak of particle size distribution for Ru/SiO2 catalyst shifted to larger diameter, whereas that of Ru _ P/SiO2 catalyst remained the same. Therefore, the stable activity of Ru _ P/SiO2 catalyst can be explained by excess phosphorus species acting to stabilize Ru2P particles.

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On the Formation of Pentylpiperidine in the Hydrodenitrogenation of Pyridine

Cited by 12 publications

References 28 publications

Methanol dissociation on bimetallic surfaces: validity of the general Brønsted–Evans–Polanyi relationship for O–H bond cleavage

Methanol dissociation on bimetallic surfaces: validity of the general Brønsted–Evans–Polanyi relationship for O–H bond cleavage

Noble Metal Phosphides as New Hydrotreating Catalysts: Highly Active Rhodium Phosphide Catalyst

Hydrodenitrogenation of Pyrrole over Silica-supported Ruthenium Phosphide Catalyst

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