CO2 reforming of methane over zeolite-Y supported ruthenium catalysts

Jr., U. L. Portugal; Marques, C.M.P.; Araujo, Everaldo Cesar Costa; Morales, Eduardo Valencia; Giotto, Marcus; Bueno, J.M.C.

doi:10.1016/s0926-860x(99)00426-3

Cited by 42 publications

(19 citation statements)

References 31 publications

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“…As a bonus, ruthenium is much cheaper than rhodium. Several studies [2][3][4][5] have shown the high activity of Ru supported and exchanged catalysts. Bradford and Vannice [4] compared high dispersion catalysts ([50%) and found that the turnover frequencies decreased in the order TiO 2 [ Alumina ) C. On the other hand, Wei and Iglesia [5] reported that forward turnover rates were strongly influenced by Ru dispersion but essentially insensitive to the identity of the support, although they did not use La 2 O 3 as carrier.…”

Section: Introductionmentioning

confidence: 99%

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

et al. 2008

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The catalytic activity toward hydrogen production through the dry reforming of methane was determined for Ru supported on lanthanum oxide. The catalyst remained stable for more than 80 h in the 823-903 K temperature range and reactant partial pressure ratio (P CO 2 =P CH 4 ) equal to unity. However, a significant deactivation was observed during the kinetic measurements when the catalyst was exposed to P CO 2 =P CH 4 [ 1 at 823 K. In order to establish why the catalyst deactivated, the Ru reactivity in reductive and CO 2 rich atmospheres was studied by in situ LRS and XPS spectroscopies. The partial re-oxidation of metallic Ru could be one of the factors that produce the catalyst deactivation. To perform the kinetic measurements, the temperature range and the partial pressure ratios were selected within the window where the Ru catalyst was stable. The kinetic data and supporting spectroscopic evidence is consistent with a mechanism in which the metal and the oxide play key roles in decomposing the paraffin and activating the CO 2 , respectively.

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Section: Introductionmentioning

confidence: 99%

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

et al. 2008

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“…Various noble materials have been investigated for this purpose. [103][104][105][106] To better understand separation through the Pd-Cu membrane, the energy efficiency was defined as the ratio of useful energy output to the consumed input and was determined as a function of the H 2 input flow rate using the following expression 18,26 The permeating hydrogen flow rate is multiplied by the higher heating value HHV of hydrogen (39.4 kWh/kg) to find the energy in the outlet stream. The outlet energy is divided by the input energy (the input hydrogen flow rate multiplied by the higher H 2 heating value) plus the electric power of the plasma to determine the energy efficiency.…”

Section: Catalytic Materials Effects On H 2 Separation Through a Pd-c...mentioning

confidence: 99%

Hydrogen separation using palladium‐based membranes: Assessment ofH₂separation in a catalytic plasma membrane reactor

El-Shafie

2021

Intl J of Energy Research

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This study describes the fundamentals of hydrogen-separation membranes and H 2 separation modeling through Pd-based membranes. Furthermore, an assessment of hydrogen separation through a Pd-Cu 40% membrane was performed using two different feed gas concentrations (99.999% H 2 and 75% H 2 À25% N 2 ) and a dielectric barrier discharge (DBD) plasma in a cylindrical type reactor (CTR). The plasma was applied by combining zeolite catalyst materials (SA-600A and 330-HUDIA) in two different hydrogen concentration experiments. Scanning electron microscopy indicated that the SA-600A zeolite exhibited a larger surface area than the 330-HUDIA zeolite. This may have increased the ability of the former material to diffuse hydrogen molecules. The hydrogen separation results showed that N 2 gas has a positive effect on separation through a Pd-Cu membrane. The most interesting result from the plasmacatalyst experiment was that the CTR H 2 permeation rate reached a maximum of 100% at most input gas flow rates. The maximum plasma-catalyst energy efficiencies at feed gas concentrations of 99.999% and 75% H 2 -25% N 2 were 81% and 54%, respectively. The hydrogen permeability results from the SA-600A zeolite were better than those produced using 330-HUDIA at a H 2 input flow rate of 5 L/min.

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“…A particularly interesting catalytic system is the supported catalysts, where metallic clusters adsorbed on a solid support is the active site . Zeolite‐supported metal clusters are potential catalysts for various chemical reactions . Computational modeling of zeolites using a (fully) QM potential is extremely computationally demanding due to large number of atoms in its unit cell and its large volume.…”

Section: Introductionmentioning

confidence: 99%

“…[10] Zeolite-supported metal clusters are potential catalysts for various chemical reactions. [11][12][13][14] Computational modeling of zeolites using a (fully) QM potential is extremely computationally demanding due to large number of atoms in its unit cell and its large volume. On the other hand, a QM/MM method is optimal to model such systems.…”

Section: Introductionmentioning

confidence: 99%

CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rh_n clusters

Sahoo

Nair

2016

J Comput Chem

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We report here the development of hybrid quantum mechanics/molecular mechanics (QM/MM) interface between the plane-wave density functional theory based CPMD code and the empirical force-field based GULP code for modeling periodic solids and surfaces. The hybrid QM/MM interface is based on the electrostatic coupling between QM and MM regions. The interface is designed for carrying out full relaxation of all the QM and MM atoms during geometry optimizations and molecular dynamics simulations, including the boundary atoms. Both Born-Oppenheimer and Car-Parrinello molecular dynamics schemes are enabled for the QM part during the QM/MM calculations. This interface has the advantage of parallelization of both the programs such that the QM and MM force evaluations can be carried out in parallel to model large systems. The interface program is first validated for total energy conservation and parallel scaling performance is benchmarked. Oxygen vacancy in α-cristobalite is then studied in detail and the results are compared with a fully QM calculation and experimental data. Subsequently, we use our implementation to investigate the structure of rhodium cluster (Rhn ; n = 2 to 6) formed from Rh(C2 H4 )2 complex adsorbed within a cavity of Y-zeolite in a reducible atmosphere of H2 gas. © 2016 Wiley Periodicals, Inc.

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CO2 reforming of methane over zeolite-Y supported ruthenium catalysts

Cited by 42 publications

References 31 publications

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

Hydrogen separation using palladium‐based membranes: Assessment ofH₂separation in a catalytic plasma membrane reactor

CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rh_n clusters

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CO2 reforming of methane over zeolite-Y supported ruthenium catalysts

Cited by 42 publications

References 31 publications

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

Kinetic and Stability Studies of Ru/La2O3 Used in the Dry Reforming of Methane

Hydrogen separation using palladium‐based membranes: Assessment ofH2separation in a catalytic plasma membrane reactor

CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rhn clusters

Contact Info

Product

Resources

About

Hydrogen separation using palladium‐based membranes: Assessment ofH₂separation in a catalytic plasma membrane reactor

CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rh_n clusters