Synthesis of cubic and hexagonal ZnTiO3 as catalyst support in steam reforming of methanol: Study of physical and chemical properties of copper catalysts on the H2 and CO selectivity and coke formation

Tahay, Pooya; Khani, Yasin; Jabari, Mohammad; Bahadoran, Farzad; Safari, Nasser; Zamanian, Akbar

doi:10.1016/j.ijhydene.2020.01.149

Cited by 47 publications

(24 citation statements)

References 62 publications

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“…The paraelectric parent structure of ZnTiO 3 is the ilmenite (Il)-type phase (hexagonal space group R-3), which is the stable phase under ambient conditions [28]. The crystalline and phase transformation behaviors of ZnTiO 3 have systematically been investigated by various authors regarding several synthesis methods, Ti:Zn precursor molar ratios, and calcination temperatures [29][30][31][32][33][34][35]. Furthermore, the literature agrees that obtaining ZnTiO 3 as a pure phase at a low processing temperature is a challenge in materials chemistry [36][37][38].…”

Section: Introductionmentioning

confidence: 99%

DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)

et al. 2021

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The search for alternative materials with high dye adsorption capacity, such as methylene blue (MB), remains the focus of current studies. This computational study focuses on oxides ZnTiO3 and TiO2 (anatase phase) and on their adsorptive properties. Computational calculations based on DFT methods were performed using the Viena Ab initio Simulation Package (VASP) code to study the electronic properties of these oxides. The bandgap energy values calculated by the Hubbard U (GGA + U) method for ZnTiO3 and TiO2 were 3.17 and 3.21 eV, respectively, which are consistent with the experimental data. The most favorable orientation of the MB adsorbed on the surface (101) of both oxides is semi-perpendicular. Stronger adsorption was observed on the ZnTiO3 surface (−282.05 kJ/mol) than on TiO2 (–10.95 kJ/mol). Anchoring of the MB molecule on both surfaces was carried out by means of two protons in a bidentate chelating (BC) adsorption model. The high adsorption energy of the MB dye on the ZnTiO3 surface shows the potential value of using this mixed oxide as a dye adsorbent for several technological and environmental applications.

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Section: Introductionmentioning

confidence: 99%

DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)

et al. 2021

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“…Also, they reported that when the materials were calcined at 900 °C, XRD analysis showed the presence of ZnO, Zn 2 TiO 4 , TiO 2 rutile and ZnTiO 3 . Tahay et al [28] synthetized the perovskite by the sol-gel technique and calcined from 400 to 600 °C obtaining a mixture of cubic and hexagonal perovskite phases (c-h-ZnTiO 3 ). Budigi et al [29] prepared ZTO through precipitation and calcination at 700-900 °C resulting in mixed ch-ZnTiO 3 phases, while at 1000 °C the Zn 2 TiO 4 phase appeared.…”

Section: Introductionmentioning

confidence: 99%

Methanol and Triethanolamine Effect as Sacrifice Agents in the Photocatalytic Production of Hydrogen over Zinc Titanates

Pantoja-Espinoza¹,

Meléndez-Zaragoza²,

Salinas-Gutiérrez³

et al. 2021

Prime Archives in Chemistry

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“…Quanto maior a área de superfície exposta aos reagentes, maior o número de locais ativos e a atividade do catalisador, por este motivo a maioria destes materiais são porosos [35,36,38,42,46]. O volume de uma partícula de catalisador pode ser distribuído em suas partes sólidas, poros e vazios, como apresentado na Figura 1 [38].…”

Section: Fase Ativaunclassified

“…Eles minimizam a sinterização e o envenenamento do catalisador. Em alguns casos, os suportes também interferem na atividade do processo catalítico [39,41,46].…”

Section: Fase Ativaunclassified

“…Dentre estes, catalisadores à base de óxido de cobre, combinados com óxido de zinco e suportados em Al2O3 são utilizados principalmente em processos de reação água gás à baixa temperatura e em processos de decomposição, reforma a vapor, oxidação parcial e síntese de metanol. A seletividade do catalisador para esta substância é de aproximadamente 99,9% [38,46,[52][53][54][55].…”

Section: Catalisadores De Cu E Znunclassified

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Recuperação de cobre e zinco de catalisadores exauridos.

Abreu¹

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Metal recovery from spent catalysts minimizes the volume of hazardous waste disposed of in landfills and is an alternative to conventional mining. The objectives of this dissertation are to characterize a spent catalyst residue used in the methanol synthesis process and to determine a route for copper and zinc recovery from this residue. The components that correspond to the active phase, promotor, and support of the spent catalyst were identified as copper, zinc, and aluminum, respectively. Which presented themselves as CuO, Zn3O(SO4)2, and Al2O3. The physical technique of separation through dense media, with the use of bromoform, and the pyrometallurgical techniques of reduction, zinc volatilization, and copper fusion were studied. Before the best techniques investigation, the spent catalyst was pre-treated by calcining and grinding. The parameters studied in the reduction and volatilization step were temperature, holding time, type of reducer, gas flow, and furnace rotation. In the melting step, the parameters studied were the proportion of the oxides Al2O3, CaO, and SiO2 and the amount of the fondant CaF2. The best zinc extraction obtained from the reduction and volatilization tests was 92.9% in a test carried out at 1100°C for 6 hours, with the graphite reducer, without rotation, and inert atmosphere with argon at 100mL/min. The purity of the condensed and recovered zinc in the cold finger was 80.9%. The best copper recovery test was the melt, which separated 72.4% of the metal from the rest of the sample with a purity of 73.3%. The result was achieved with the lowest proportion of silica and the highest proportion of CaF2. The sequence of techniques that presented the best metal recovery results was pre-treatment by calcining and grinding, followed by a step of reduction, zinc volatilization, and copper melting.

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Synthesis of cubic and hexagonal ZnTiO3 as catalyst support in steam reforming of methanol: Study of physical and chemical properties of copper catalysts on the H2 and CO selectivity and coke formation

Cited by 47 publications

References 62 publications

DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)

DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)

Methanol and Triethanolamine Effect as Sacrifice Agents in the Photocatalytic Production of Hydrogen over Zinc Titanates

Recuperação de cobre e zinco de catalisadores exauridos.

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