Conceptual comparison of three novel configurations in the spherical radial flow reactor for ammonia production

Nikzad, Amin; Iranshahi, Davood; Ranjbaran, Mohammad; Bagherpour-Ardakani, Esmaeel

doi:10.1016/j.fuel.2022.123945

Cited by 6 publications

(4 citation statements)

References 42 publications

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“…Studying the impact of the feed temperature and the flow rate on the ammonia production, it was shown that the production deceased by 14 % when the feed temperature is reduced by 40 °C, and decreased by 13 % when the flow rate is reduced by 20 %. Another study of ammonia synthesis was conducted by Nikzad et al ., [176] who examined the effects of three configurations of feed input in sperical radial flow and tubular reactors. The authors found that nitrogen conversion is higher in the spherical reactor (Config 4F), with a notably lower pressure drop, consistent with scale‐up flow and higher nitrogen conversion compared to tubular reactor.…”

Section: Reactor‐scale Modellingmentioning

confidence: 99%

Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going

Žibert,

Likozar,

Huš

2024

ChemSusChem

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Artificial ammonia synthesis via the Haber‐Bosch process is environmentally problematic due to the high energy consumption and corresponding CO2 emissions, produced during the reaction and before hand in hydrogen production upon methane steam reforming. Photocatalytic nitrogen fixation as a greener alternative to the conventional Haber‐Bosch process enables us to perform nitrogen reduction reaction (NRR) under mild conditions, harnessing light as the energy source. Herein, we systematically review first‐principles calculations used to determine the electronic/optical properties of photocatalysts, N2 adsorption and to expound possible NRR mechanisms. The most commonly studied photocatalysts for nitrogen fixation are usually modified with dopants, defects, co‐catalysts and Z‐scheme heterojunctions to prevent charge carrier recombination, improve charge separation efficiency and adjust a band gap to for utilizing a broader light spectrum. Most studies at the atomistic level of modeling are grounded upon DFT calculations, wholly foregoing excitation effects paramount in photocatalysis. Hence, there is a dire need to consider methods beyond DFT to study the excited state properties more accurately. Furthermore, a few studies have been examined, which include higher level kinetics and macroscale simulations. Ultimately, we show there is still ample room for improvement with regard to first principles calculations and their integration in multiscale models.

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Section: Reactor‐scale Modellingmentioning

confidence: 99%

Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going

Žibert,

Likozar,

Huš

2024

ChemSusChem

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“…Pressure is another factor that affects the equilibrium of gas reactions. 62 Generally, Le Chatelier's theory states that a decrease in pressure will result in a larger amount of product being produced if the number of moles of products exceeds the number of moles of reactants (Δn = n products − n reactants > 0). As the pressure is reduced, less product is produced if Δn < 0, however.…”

Section: Industrial Mf Production Plantmentioning

confidence: 99%

“…In addition to saving energy and reducing environmental pollutants, thermal coupling of exothermic and endothermic reactions improves the rate of gaseous equilibrium conversion. Pressure is another factor that affects the equilibrium of gas reactions . Generally, Le Chatelier’s theory states that a decrease in pressure will result in a larger amount of product being produced if the number of moles of products exceeds the number of moles of reactants (Δ n = n products – n reactants > 0).…”

Section: Process Descriptionmentioning

confidence: 99%

Improvement in Ammonia, Hydrogen, and Methyl Formate Synthesis Process by Employing Multiobjective Optimization of a Novel Multifunctional Membrane Reactor

2023

Self Cite

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This investigation analyzes the simultaneous production of hydrogen and ammonia as carbon-free energy carriers and methyl formate (MF) as a widely used chemical intermediate in a multifunctional membrane reactor (MFMR). The MFMR, based on Le Chatelier’s principle, has the advantage of changing the thermodynamic equilibrium by direct thermal coupling between ammonia synthesis and MF production and shifting the chemical equilibrium with the use of the Pd–Ag membrane. In the innovative configuration, the nitrogen conversion rate has been increased from 38.2 to 41.2% and the methanol conversion from 16.3 to 99.1%. Other benefits of the MFMR include providing the required energy for an endothermic reaction and eliminating a furnace and cooler in methanol dehydrogenation and ammonia synthesis reactors. Furthermore, it has been demonstrated that if the ammonia synthesis reaction is positioned at the center side of the MFMR, the nitrogen and methanol conversion are, respectively, 1.32 and 7.34% higher than when the reaction is located at the outer side of the MFMR. Likewise, the effect of operational process parameters such as inlet flow rates, inlet temperatures, and membrane thickness on the performance of each reaction has been studied. Utilizing multiobjective optimization (MOO), it has been observed that ammonia and MF production yields can reach 20.3 and 24.1%, respectively.

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“…Consequently, this work focusses on a kinetic investigation under mild reaction conditions, needed to design small-scale PtA processes. Therefore, the commonly used Temkin-Pyzhev equation [21][22][23][24][25][26][27] is used as basis and systematically extended, in order to achieve sufficient agreement between prediction and experimental data. The model discrimination and parameterization are performed based on experiments with Ru-and Fe-based catalysts using axially resolved temperature and concentration measurements.…”

Section: Introductionmentioning

confidence: 99%

Reaction kinetics for ammonia synthesis using ruthenium and iron based catalysts under low temperature and pressure conditions

Cholewa,

Steinbach,

Heim

et al. 2024

Sustainable Energy Fuels

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Conceptual comparison of three novel configurations in the spherical radial flow reactor for ammonia production

Cited by 6 publications

References 42 publications

Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going

Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going

Improvement in Ammonia, Hydrogen, and Methyl Formate Synthesis Process by Employing Multiobjective Optimization of a Novel Multifunctional Membrane Reactor

Reaction kinetics for ammonia synthesis using ruthenium and iron based catalysts under low temperature and pressure conditions

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Conceptual comparison of three novel configurations in the spherical radial flow reactor for ammonia production

Cited by 6 publications

References 42 publications

Modelling Photocatalytic N2 Reduction to Ammonia: Where We Stand and Where We Are Going

Modelling Photocatalytic N2 Reduction to Ammonia: Where We Stand and Where We Are Going

Improvement in Ammonia, Hydrogen, and Methyl Formate Synthesis Process by Employing Multiobjective Optimization of a Novel Multifunctional Membrane Reactor

Reaction kinetics for ammonia synthesis using ruthenium and iron based catalysts under low temperature and pressure conditions

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Product

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Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going

Modelling Photocatalytic N₂ Reduction to Ammonia: Where We Stand and Where We Are Going