Improved Cu- and Zn-based catalysts for CO2 hydrogenation to methanol

Allam, Djaouida; Bennici, Simona; Limousy, Lionel; Hocine, Smaïn

doi:10.1016/j.crci.2019.01.002

Cited by 41 publications

(14 citation statements)

References 80 publications

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“…[139] However, Cu/ZnO/Al 2 O 3 catalysts suffer from the limited selectivity (< 70 %) for methanol and stringent reaction conditions (50-100 bar, 200-300°C). [140] Allam et al [141] evaluated the improvement of Cu-and Zn-based binary (CuOÀ CeO 2 , ZnOÀ CeO 2 ) and ternary (CuOÀ ZnOÀ CeO 2 , CuOÀ ZnOÀ Al 2 O 3 ) catalysts for CO 2 hydrogenation to methanol in terms of metal oxide dispersion and morphology. Ternary catalysts prepared by polyol method exhibited a higher activity (about 20 %) and selectivity (< 65 %).…”

Section: Catalysts Used In Methanol Synthesismentioning

confidence: 99%

Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals

et al. 2020

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Density functional theory (DFT) of the CO2 behavior on the catalyst surface provides valuable insights about the C=O bond activation, information about adsorption and dissociation of CO2, understanding the elementary steps involved in the mechanism of the CO2 hydrogenation reaction. Nowadays, DFT computational studies for the catalytic hydrogenation of CO2 are becoming very popular. Therefore, this article is focused on a comprehensive review of the DFT studies in thermocatalytic hydrogenation of CO2 at the gas‐surface interface and discusses three aspects: 1) processes taking place on the surfaces and facets of transition metal heterogeneous catalysts, 2) adsorption of CO2 on surfaces of different transition metals; 3) current understanding of reaction mechanisms taking place on the catalytic surface for the production of different compounds. A detailed schematic overview of the possible CO2 hydrogenation mechanisms and DFT simulations presented here will enhance the current understanding of the CO2 catalytic hydrogenation.

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Section: Catalysts Used In Methanol Synthesismentioning

confidence: 99%

Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals

et al. 2020

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“…where A i and E i correspond to the pre-exponential factor and the activation energy, respectively, of reaction step i and B i and ∆H i are the pre-exponential factor and the adsorption enthalpy, respectively, of the adsorption of species i. The introduction of Equations (19) and (20) to the rate Equations (17) and (18) allows the expression of the reaction rates of CO and methanol production as functions of temperature. The activation energies, pre-exponential factors, and adsorption enthalpies of the reactants were estimated by fitting the experimentally measured reaction rates ( Figure 6) using MATLAB, and the values obtained are presented in Table 2.…”

Section: Mechanistic Implications and Development Of The Kinetic Modelmentioning

confidence: 99%

“…However, there is still debate regarding the reaction mechanism and catalyst requirements [4,10,11]. As far as catalysts are concerned, efforts have been made to improve the performance of CZA by either replacing/doping Cu with noble metals (e.g., Pt, Pd) [12][13][14][15] or by adding oxides in order to enhance the adsorption properties of the support and to increase the dispersion of the Cu phases [16][17][18][19][20][21]. This is the reason why the majority of studies pinpoint some sort of coupling in the mechanism between the copper phase and the support oxide, with the latter being the anchor point for one of the oxygen atoms of CO 2 [22,23].…”

Section: Introductionmentioning

confidence: 99%

CO2 Hydrogenation to Methanol over La2O3-Promoted CuO/ZnO/Al2O3 Catalysts: A Kinetic and Mechanistic Study

2020

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The hydrogenation of CO2 to methanol has been investigated over CuO/ZnO/Al2O3 (CZA) catalysts, where a part of the Al2O3 (0, 25, 50, 75, or 100%) was substituted by La2O3. Results of catalytic performance tests obtained at atmospheric pressure showed that the addition of La2O3 generally resulted in a decrease of CO2 conversion and in an increase of methanol selectivity. Optimal results were obtained for the CZA-La50 catalyst, which exhibited a 30% higher yield of methanol, compared to the un-promoted sample. This was attributed to the relatively high specific surface area and porosity of this material, the creation of basic sites of moderate strength, which enhance adsorption of CO2 and intermediates that favor hydrogenation steps, and the ability of the catalyst to maintain a large part of the copper in its metallic form under reaction conditions. The reaction mechanism was studied with the use of in situ infrared spectroscopy (DRIFTS). It was found that the reaction proceeded with the intermediate formation of surface formate and methoxy species and that both methanol and CO were mainly produced via a common formate intermediate species. The kinetic behavior of the best performing CZA-La50 catalyst was investigated in the temperature range 190–230 °C as a function of the partial pressures of H2 (0.3–0.9 atm) and CO2 (0.05–0.20 atm), and a kinetic model was developed, which described the measured reaction rates satisfactorily.

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“…have been devised for the reduction of CO 2 emissions; however, CO 2 conversion to methanol provides a vital route as it diminishes CO 2 concentration on the one hand and produces valuable fuel like methanol on the other [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Effect of reaction conditions on the activity of novel carbon nanofiber-based Cu/ZrO2 catalysts for CO2 hydrogenation to methanol

Din¹,

Shaharun²,

Akhtar³

et al. 2020

Comptes Rendus. Chimie

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The increasing concentrations of CO 2 in the environment result in catastrophic phenomena like global warming. Hydrogenation of emitted CO 2 to methanol is one of the economically viable strategies to tackle the problem. In the current work, methanol synthesis by CO 2 hydrogenation was studied over carbon nanofiber-based Cu/ZrO 2 catalysts. The effect on rate of reaction by varying reaction temperature, reaction pressure, and feed gas ratio were investigated. Rate of reaction increased with increasing temperature and 220°C was found as an optimum reaction temperature. The study revealed a linear relationship between the rate of reaction and applied pressure of the feed gases. The rate of reaction was accelerated by increasing feed gas ratio and the highest activity was recorded for H 2 /CO 2 = 3.

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Improved Cu- and Zn-based catalysts for CO2 hydrogenation to methanol

Cited by 41 publications

References 80 publications

Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals

Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals

CO2 Hydrogenation to Methanol over La2O3-Promoted CuO/ZnO/Al2O3 Catalysts: A Kinetic and Mechanistic Study

Effect of reaction conditions on the activity of novel carbon nanofiber-based Cu/ZrO2 catalysts for CO2 hydrogenation to methanol

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Improved Cu- and Zn-based catalysts for CO2 hydrogenation to methanol

Cited by 41 publications

References 80 publications

Recent Developments in the Modelling of Heterogeneous Catalysts for CO2 Conversion to Chemicals

Recent Developments in the Modelling of Heterogeneous Catalysts for CO2 Conversion to Chemicals

CO2 Hydrogenation to Methanol over La2O3-Promoted CuO/ZnO/Al2O3 Catalysts: A Kinetic and Mechanistic Study

Effect of reaction conditions on the activity of novel carbon nanofiber-based Cu/ZrO2 catalysts for CO2 hydrogenation to methanol

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Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals

Recent Developments in the Modelling of Heterogeneous Catalysts for CO₂ Conversion to Chemicals