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Search Results (482)

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Keywords = reactor configuration

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22 pages, 1104 KB  
Article
Improving CO2 Capture Efficiency Through Novel CLOU-Based Fuel Reactor Configuration in Chemical Looping Combustion
by Anna Zylka, Jaroslaw Krzywanski, Tomasz Czakiert, Marcin Sosnowski, Karolina Grabowska, Dorian Skrobek and Lukasz Lasek
Energies 2025, 18(17), 4640; https://doi.org/10.3390/en18174640 (registering DOI) - 1 Sep 2025
Abstract
Climate change and global decarbonization targets drive the search for more efficient and cost-effective combustion technologies. Chemical looping combustion (CLC) using solid oxygen carriers with chemical looping with oxygen uncoupling (CLOU) functionality has attracted growing interest due to its inherent potential for CO [...] Read more.
Climate change and global decarbonization targets drive the search for more efficient and cost-effective combustion technologies. Chemical looping combustion (CLC) using solid oxygen carriers with chemical looping with oxygen uncoupling (CLOU) functionality has attracted growing interest due to its inherent potential for CO2 capture without requiring additional separation processes. This study introduces a conceptual proof-of-concept design of a novel fuel reactor design for a dual-fluidized bed CLC system operating with solid fuels. The new configuration incorporates a perforated conveyor for circulating CLOU-type oxygen carriers, thereby avoiding direct contact between the carriers and the fuel–ash mixture. This approach prevents the slip of unburned fuel and ash into the air reactor, minimizes the loss of oxygen carriers, and improves combustion efficiency. The proposed reactor concept enables the generation of flue gas with a high CO2 concentration, which facilitates its subsequent capture and reduces the energy penalty associated with traditional CCS techniques. The improved phase separation and better control of oxygen carrier residence time contribute to enhanced system performance and reduced operating costs. Preliminary process simulations conducted in the CeSFaMB environment, using boundary and initial conditions from a CLC test rig, were included to illustrate the potential of the design. Experimental validation is outside the scope of this study and will be presented in future work once the dedicated test facility is operational. This contribution should therefore be regarded as a conceptual proof-of-concept study, and experimental validation together with techno-economic benchmarking will be reported in follow-up publications once the dedicated test facility is operational. Full article
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20 pages, 2083 KB  
Article
Sustainable Hydrogen Production from Nuclear Energy
by Renato Buzzetti, Rosa Lo Frano and Salvatore A. Cancemi
Energies 2025, 18(17), 4632; https://doi.org/10.3390/en18174632 (registering DOI) - 31 Aug 2025
Abstract
The rapid increase in global warming requires that sustainable energy choices aimed at achieving net-zero greenhouse gas emissions be implemented as soon as possible. This objective, emerging from the European Green Deal and the UN Climate Action, could be achieved by using clean [...] Read more.
The rapid increase in global warming requires that sustainable energy choices aimed at achieving net-zero greenhouse gas emissions be implemented as soon as possible. This objective, emerging from the European Green Deal and the UN Climate Action, could be achieved by using clean and efficient energy sources such as hydrogen produced from nuclear power. “Renewable” hydrogen plays a fundamental role in decarbonizing both the energy-intensive industrial and transport sectors while addressing the global increase in energy consumption. In recent years, several strategies for hydrogen production have been proposed; however, nuclear energy seems to be the most promising for applications that could go beyond the sole production of electricity. In particular, nuclear advanced reactors that operate at very high temperatures (VHTR) and are characterized by coolant outlet temperatures ranging between 550 and 1000 °C seem the most suitable for this purpose. This paper describes the potential use of nuclear energy in coordinated and coupled configurations to support clean hydrogen production. Operating conditions, energy requirements, and thermodynamic performance are described. Moreover, gaps that require additional technology and regulatory developments are outlined. The intermediate heat exchanger, which is the key component for the integration of nuclear hybrid energy systems, was studied by varying the thermal power to determine physical parameters needed for the feasibility study. The latter, consisting of the comparative cost evaluation of some nuclear hydrogen production methods, was carried out using the HEEP code developed by the IAEA. Preliminary results are presented and discussed. Full article
(This article belongs to the Section B4: Nuclear Energy)
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73 pages, 6657 KB  
Review
Biomass Pyrolysis Pathways for Renewable Energy and Sustainable Resource Recovery: A Critical Review of Processes, Parameters, and Product Valorization
by Nicoleta Ungureanu, Nicolae-Valentin Vlăduț, Sorin-Ștefan Biriș, Neluș-Evelin Gheorghiță and Mariana Ionescu
Sustainability 2025, 17(17), 7806; https://doi.org/10.3390/su17177806 (registering DOI) - 29 Aug 2025
Viewed by 122
Abstract
The increasing demand for renewable energy has intensified research on lignocellulosic biomass pyrolysis as a versatile route for sustainable energy and resource recovery. This study provides a comparative overview of main pyrolysis regimes (slow, intermediate, fast, and flash), emphasizing operational parameters, typical product [...] Read more.
The increasing demand for renewable energy has intensified research on lignocellulosic biomass pyrolysis as a versatile route for sustainable energy and resource recovery. This study provides a comparative overview of main pyrolysis regimes (slow, intermediate, fast, and flash), emphasizing operational parameters, typical product yields, and technological readiness levels (TRLs). Reactor configurations, including fixed-bed, fluidized-bed, rotary kiln, auger, and microwave-assisted systems, are analyzed in terms of design, advantages, limitations, and TRL status. Key process parameters, such as temperature, heating rate, vapor residence time, reaction atmosphere, and catalyst type, critically influence the yields and properties of biochar, bio-oil, and syngas. Increased temperatures and fast heating rates favor liquid and gas production, whereas lower temperatures and longer residence times enhance biochar yield and carbon content. CO2 and H2O atmospheres modify product distribution, with CO2 increasing gas formation and biochar surface area and steam enhancing bio-oil yield at the expense of solid carbon. Catalytic pyrolysis improves selectivity toward target products, though trade-offs exist between char and oil yields depending on feedstock and catalyst choice. These insights underscore the interdependent effects of process parameters and reactor design, highlighting opportunities for optimizing pyrolysis pathways for energy recovery, material valorization, and sustainable bioeconomy applications. Full article
(This article belongs to the Special Issue Sustainable Waste Process Engineering and Biomass Valorization)
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20 pages, 2741 KB  
Article
Changes in Microbial Communities in Industrial Anaerobic Digestion of Dairy Manure Caused by Caldicellulosiruptor Pretreatment
by Jakob Young, Maliea Nipko, Spencer Butterfield and Zachary Aanderud
BioTech 2025, 14(3), 67; https://doi.org/10.3390/biotech14030067 - 28 Aug 2025
Viewed by 175
Abstract
Extremophilic biological process (EBP) pretreatment increases substrate availability in anaerobic digestion, but the effect on downstream microbial community composition in industrial systems is not characterized. Changes in microbial communities were determined at an industrial facility processing dairy manure in a modified split-stream system [...] Read more.
Extremophilic biological process (EBP) pretreatment increases substrate availability in anaerobic digestion, but the effect on downstream microbial community composition in industrial systems is not characterized. Changes in microbial communities were determined at an industrial facility processing dairy manure in a modified split-stream system with three reactor types: (1) EBP tanks at 70–72 °C; (2) mesophilic Continuously Stirred Tank Reactors (CSTRs); (3) mesophilic Induced Bed Reactors (IBRs) receiving combined CSTR and EBP effluent. All reactors had a two-day hydraulic retention time. Samples were collected weekly for 60 days. pH, volatile fatty acid and bicarbonate concentrations, COD, and methane yield were measured to assess tank environmental conditions. Microbial community compositions were obtained via 16S rRNA gene sequencing. EBP pretreatment increased acetate availability but led to a decline in the relative abundance of acetoclastic Methanosarcina species in downstream IBRs. Rather, syntrophic methanogens, e.g., members of Methanobacteriaceae, increased in relative abundance and became central to microbial co-occurrence networks, particularly in association with hydrogen-producing bacteria. Network analysis also demonstrated that these syntrophic relationships were tightly coordinated in pretreated digestate but absent in the untreated CSTRs. By promoting syntrophic methanogenesis while increasing acetate concentrations, EBP pretreatment requires system configurations that enable acetoclast retention to prevent acetate underutilization and maximize methane yields. Full article
(This article belongs to the Section Industry, Agriculture and Food Biotechnology)
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41 pages, 2299 KB  
Review
A Comprehensive Review on Hydrogen Production via Catalytic Ammonia Decomposition
by Domenico Maccarrone, Cristina Italiano, Gianfranco Giorgianni, Gabriele Centi, Siglinda Perathoner, Antonio Vita and Salvatore Abate
Catalysts 2025, 15(9), 811; https://doi.org/10.3390/catal15090811 - 26 Aug 2025
Viewed by 292
Abstract
A comprehensive literature review highlights how the nature of active metals, support materials, promoters, and synthesis methods influences catalytic performance, with particular attention to ruthenium-based catalysts as the current benchmark. Kinetic models are presented to describe the reaction pathway and predict catalyst behavior. [...] Read more.
A comprehensive literature review highlights how the nature of active metals, support materials, promoters, and synthesis methods influences catalytic performance, with particular attention to ruthenium-based catalysts as the current benchmark. Kinetic models are presented to describe the reaction pathway and predict catalyst behavior. Various reactor configurations, including fixed-bed, membrane, catalytic membrane, perovskite-based, and microreactors, are evaluated in terms of their suitability for ammonia decomposition. While ruthenium remains the benchmark catalyst, alternative transition metals such as iron, nickel, and cobalt have also been investigated, although they typically require higher operating temperatures (≥500 °C) to achieve comparable conversion levels. At the industrial scale, catalyst development must balance performance with cost. Inexpensive and scalable materials (e.g., MgO, Al2O3, CaO, K, Na) and simple preparation techniques (e.g., wet impregnation, incipient wetness) may offer lower performance than more advanced systems but are often favored for practical implementation. From a reactor engineering standpoint, membrane reactors emerge as the most promising technology for combining catalytic reaction and product separation in a single unit operation. This review provides a critical overview of current advances in ammonia decomposition for hydrogen production, offering insights into both catalytic materials and reactor design strategies for sustainable energy applications. Full article
(This article belongs to the Special Issue Feature Review Papers in Catalysis for Sustainable Energy)
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50 pages, 6675 KB  
Review
Catalyst, Reactor, and Purification Technology in Methanol Steam Reforming for Hydrogen Production: A Review
by Ruochen Wang, Te Ma, Renkai Ding, Wei Liu and Dong Sun
Catalysts 2025, 15(9), 802; https://doi.org/10.3390/catal15090802 - 23 Aug 2025
Viewed by 403
Abstract
Methanol steam reforming (MSR) represents a highly promising pathway for sustainable hydrogen production due to its favorable hydrogen-to-carbon ratio and relatively low operating temperatures. The performance of the MSR process is strongly dependent on the selection and rational design of catalysts, which govern [...] Read more.
Methanol steam reforming (MSR) represents a highly promising pathway for sustainable hydrogen production due to its favorable hydrogen-to-carbon ratio and relatively low operating temperatures. The performance of the MSR process is strongly dependent on the selection and rational design of catalysts, which govern methanol conversion, hydrogen selectivity, and the suppression of undesired side reactions such as carbon monoxide formation. Moreover, advancements in reactor configuration and thermal management strategies play a vital role in minimizing heat loss and enhancing heat and mass transfer efficiency. Effective carbon monoxide removal technologies are indispensable for obtaining high-purity hydrogen, particularly for applications sensitive to CO contamination. This review systematically summarizes recent progress in catalyst development, reactor design, and gas purification technologies for MSR. In addition, the key technical challenges and potential future directions of the MSR process are critically discussed. The insights provided herein are expected to contribute to the development of more efficient, stable, and scalable MSR-based hydrogen production systems. Full article
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24 pages, 5801 KB  
Article
Copper-Decorated Catalytic Carbon/Ceramic Hollow Fibers for NO Reduction: Enhanced Performance via Tangential Flow Reactor Design and Process Intensification
by George V. Theodorakopoulos, Sergios K. Papageorgiou, Fotios K. Katsaros, Konstantinos G. Beltsios and George Em. Romanos
Fibers 2025, 13(9), 112; https://doi.org/10.3390/fib13090112 - 22 Aug 2025
Viewed by 181
Abstract
In this study, high-yield biopolymer/ceramic hollow fibers were fabricated via a facile, modified polyol process in a spinneret setup, enabling the controlled adsorption of Cu2+ ions. Post sintering transformed these into catalytic copper-decorated carbon/ceramic (alumina) composite hollow fibers, with alginate serving as [...] Read more.
In this study, high-yield biopolymer/ceramic hollow fibers were fabricated via a facile, modified polyol process in a spinneret setup, enabling the controlled adsorption of Cu2+ ions. Post sintering transformed these into catalytic copper-decorated carbon/ceramic (alumina) composite hollow fibers, with alginate serving as both a metal ion binder and a copper nanoparticle stabilizer. The resulting hollow fibers featured porous walls with a high surface area and were densely decorated with copper nanoparticles. Their structural and morphological characteristics were analyzed, and their NO reduction performance was assessed in a continuous flow configuration, where the gas stream passed through both the shell and lumen sides of a fiber bundle in a tangential flow mode. This study also examined the stability, longevity and regeneration potential of the catalytic fibers, including the mechanisms of deactivation and reactivation. Carbon content was found to be decisive for catalytic performance. High-carbon fibers exhibited a light-off temperature of 250 °C, maintained about 90% N2 selectivity and sustained a consistently high NO reduction efficiency for over 300 h, even without reducing gases like CO. In contrast, low-carbon fibers displayed a higher light-off temperature of 350 °C and a reduced catalytic efficiency. The results indicate that carbon enhances both activity and selectivity, counterbalancing deactivation effects. Owing to their scalability, durability and effectiveness, these catalytic fibers and their corresponding bundle-type reactor configuration represent a promising technology for advanced NO abatement. Full article
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17 pages, 3442 KB  
Article
Flow Field Structure Optimization and Inlet Parameters in Tubular Photocatalytic Reactors: A CFD-Based Study
by Zhiyong Fang, Lizhe Ma, Jieli Duan, Kefu Zhu, Xiangshu Zhang and Zhou Yang
Catalysts 2025, 15(9), 798; https://doi.org/10.3390/catal15090798 - 22 Aug 2025
Viewed by 503
Abstract
The internal flow field and hydrodynamic properties of a photocatalytic reactor are crucial for the enhancement of degradation performance. In this study, TiO2 films were loaded on the surface of quartz glass tubes and activated with UV-LEDs. Combining the degradation experiments with [...] Read more.
The internal flow field and hydrodynamic properties of a photocatalytic reactor are crucial for the enhancement of degradation performance. In this study, TiO2 films were loaded on the surface of quartz glass tubes and activated with UV-LEDs. Combining the degradation experiments with computational fluid dynamics (CFD) numerical simulations, the regulation laws of film surface area, flow field configuration, ratio of film surface area to solution volume (S/V), inlet flow rate and diameter on the reaction process were systematically evaluated. The results showed that the film surface area was positively correlated with the degradation efficiency of tetracycline hydrochloride (TCH). The degradation rate of TCH ranged between 32.15% and 64.83% in 12 equal film area flow field configurations. It was further found that the S/V value was positively correlated with the degradation efficiency only for the same flow field configuration, and the degradation rate of TCH was enhanced by 32.73% when the S/V value was increased from 0.018 m−1 to 0.034 m−1. In addition, as the flow rate increases, the optimal inlet diameter increases accordingly (10, 25, 40, 55, and 70 mL/min corresponded to 10, 15, 20, 20, and 25 mm, respectively). The optimum structural parameters of the reactor were determined as follows: inlet flow rate of 10 mL/min, inlet diameter of 10 mm, flow field configuration type b, S/V value of 0.034 m−1, and height of 450 mm. The degradation rate of TCH under these conditions was 96.34%. The relationship between the film-reactor flow field and degradation efficiency of the photocatalytic reactor established in this study provides a reference for optimizing the design of tubular catalytic reactors. Full article
(This article belongs to the Section Photocatalysis)
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15 pages, 5445 KB  
Article
Numerical Study on Chemical Vapor Deposition of Aluminide Coatings
by Shihong Xin, Baiwan Su, Qizheng Li and Chonghang Tang
Coatings 2025, 15(8), 974; https://doi.org/10.3390/coatings15080974 - 21 Aug 2025
Viewed by 341
Abstract
To ensure the mechanical performance of gas turbine hollow blades under high-temperature conditions, the application of aluminide high-temperature protective coatings on the inner gas flow channel surfaces of hollow blades via chemical vapor deposition (CVD) has become a critical measure for enhancing blade [...] Read more.
To ensure the mechanical performance of gas turbine hollow blades under high-temperature conditions, the application of aluminide high-temperature protective coatings on the inner gas flow channel surfaces of hollow blades via chemical vapor deposition (CVD) has become a critical measure for enhancing blade safety. This study employs computational fluid dynamics (CFD) to investigate the flow field within CVD reactors and the influences of deposition processes on the chemical reaction rates at sample surfaces, thereby guiding the optimization of CVD reactor design and deposition parameters. Three distinct CVD reactor configurations are examined to analyze the flow characteristics of precursor gases and the internal flow field distributions. The results demonstrate that Model A, featuring a bottom-positioned outlet and an extended inlet, exhibits a larger stable deposition zone with more uniform flow velocities near the sample surface, thereby indicating the formation of higher-quality aluminide coatings. Based on Model A, CFD simulations are conducted to evaluate the effects of process parameters, including inflow velocity, pressure, and temperature, on aluminide coating deposition. The results show that the surface chemical reaction rate increases with inflow velocity (0.0065–6.5 m/s), but the relative change rate (ratio of reaction rate to flow rate) shows a declining trend. Temperature variations (653–1453 K) induce a trapezoidal-shaped trend in deposition rates: an initial increase (653–1053 K), followed by stabilization (1053–1303 K), and a subsequent decline (>1303 K). The underlying mechanisms for this trend are discussed. Pressure variations (0.5–2 atm) reveal that both excessively low and high pressures reduce surface reaction rates, with optimal performance observed near 1 atm. This study provides a methodology and insights for optimizing CVD reactor designs and process parameters to enhance aluminide coating quality on turbine blades. Full article
(This article belongs to the Section Surface Characterization, Deposition and Modification)
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11 pages, 852 KB  
Article
Furthering the Application of a Low-Moisture Anhydrous Ammonia Pretreatment of Corn Stover
by Ming-Hsun Cheng and Kurt A. Rosentrater
Processes 2025, 13(8), 2643; https://doi.org/10.3390/pr13082643 - 20 Aug 2025
Viewed by 262
Abstract
The use of an ammonia fiber expansion pretreatment using low-moisture anhydrous ammonia (LMAA) is a promising strategy for biomass deconstruction, with significant effects on depolymerizing lignin and hemicellulose. An LMAA pretreatment provides several advantages, including compatibility with the high-biomass loading of solids, efficient [...] Read more.
The use of an ammonia fiber expansion pretreatment using low-moisture anhydrous ammonia (LMAA) is a promising strategy for biomass deconstruction, with significant effects on depolymerizing lignin and hemicellulose. An LMAA pretreatment provides several advantages, including compatibility with the high-biomass loading of solids, efficient ammonia recovery, and scalability for industrial operations. In this study, the reactor was revisited and optimized to improve glucan digestibility from corn stover through enzymatic hydrolysis, building on our previous findings that identified limitations in ammonia distribution. The effects of the biomass particle size, the reaction time, and their interaction on glucose yields were investigated to determine their influence on the subsequent enzymatic hydrolysis kinetics. The best glucose yield of 83% was achieved using an LMAA pretreatment of biomass with a 0.5 mm particle size, representing an improvement of approximately 5% compared to biomass with a 1 mm particle size. Additionally, reactor optimization led to a 22% improvement in the glucose yield compared to the previous reactor configuration. According to the results of the reaction kinetics fitting, the enzymatic hydrolysis data indicated that the reaction followed a pseudo-first-order model. Full article
(This article belongs to the Special Issue Advances in Solid Waste Treatment and Design (2nd Edition))
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34 pages, 1294 KB  
Perspective
Electromagnetic Radiation Shielding Using Carbon Nanotube and Nanoparticle Composites
by Bianca Crank, Brayden Fricker, Andrew Hubbard, Hussain Hitawala, Farhana Islam Muna, Olalekan Samuel Okunlola, Alexandra Doherty, Alex Hulteen, Logan Powers, Gabriel Purtell, Prakash Giri, Henry Spitz and Mark Schulz
Appl. Sci. 2025, 15(15), 8696; https://doi.org/10.3390/app15158696 - 6 Aug 2025
Viewed by 725
Abstract
This paper showcases current developments in the use of carbon nanotube (CNT) and nanoparticle-based materials for electromagnetic radiation shielding. Electromagnetic radiation involves different types of radiation covering a wide spectrum of frequencies. Due to their good electrical conductivity, small diameter, and light weight, [...] Read more.
This paper showcases current developments in the use of carbon nanotube (CNT) and nanoparticle-based materials for electromagnetic radiation shielding. Electromagnetic radiation involves different types of radiation covering a wide spectrum of frequencies. Due to their good electrical conductivity, small diameter, and light weight, individual CNTs are good candidates for shielding radio and microwaves. CNTs can be organized into macroscale forms by dispersing them in polymers or by wrapping CNT strands into fabrics or yarn. Magnetic nanoparticles can also be incorporated into the CNT fabric to provide excellent shielding of electromagnetic waves. However, for shielding higher-frequency X-ray and gamma ray radiation, the situation is reversed. Carbon’s low atomic number means that CNTs alone are less effective than metals. Thus, different nanoparticles such as tungsten are added to the CNT materials to provide improved shielding of photons. The goal is to achieve a desired combination of light weight, flexibility, safety, and multifunctionality for use in shielding spacecraft, satellites, nuclear reactors, and medical garments and to support lunar colonization. Future research should investigate the effect of the size, shape, and configuration of nanoparticles on radiation shielding. Developing large-scale low-cost methods for the continuous manufacturing of lightweight multifunctional nanoparticle-based materials is also needed. Full article
(This article belongs to the Section Nanotechnology and Applied Nanosciences)
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82 pages, 15313 KB  
Review
Research and Developments of Heterogeneous Catalytic Technologies
by Milan Králik, Peter Koóš, Martin Markovič and Pavol Lopatka
Molecules 2025, 30(15), 3279; https://doi.org/10.3390/molecules30153279 - 5 Aug 2025
Viewed by 633
Abstract
This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts—specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation [...] Read more.
This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts—specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and “aggressiveness” of the reaction system. Suitable reactor types—such as suspension reactors, fixed-bed reactors, and flow microreactors—are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline. Full article
(This article belongs to the Special Issue Heterogeneous Catalysts: From Synthesis to Application)
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23 pages, 1517 KB  
Article
Physics-Informed Neural Network Enhanced CFD Simulation of Two-Dimensional Green Ammonia Synthesis Reactor
by Ran Xu, Shibin Zhang, Fengwei Rong, Wei Fan, Xiaomeng Zhang, Yunlong Wang, Liang Zan, Xu Ji and Ge He
Processes 2025, 13(8), 2457; https://doi.org/10.3390/pr13082457 - 3 Aug 2025
Viewed by 522
Abstract
The synthesis of “green ammonia” from “green hydrogen” represents a critical pathway for renewable energy integration and industrial decarbonization. This study investigates the green ammonia synthesis process using an axial–radial fixed-bed reactor equipped with three catalyst layers. A simplified two-dimensional physical model was [...] Read more.
The synthesis of “green ammonia” from “green hydrogen” represents a critical pathway for renewable energy integration and industrial decarbonization. This study investigates the green ammonia synthesis process using an axial–radial fixed-bed reactor equipped with three catalyst layers. A simplified two-dimensional physical model was developed, and a multiscale simulation approach combining computational fluid dynamics (CFD) with physics-informed neural networks (PINNs) employed. The simulation results demonstrate that the majority of fluid flows axially through the catalyst beds, leading to significantly higher temperatures in the upper bed regions. The reactor exhibits excellent heat exchange performance, ensuring effective preheating of the feed gas. High-pressure zones are concentrated near the top and bottom gas outlets, while the ammonia mole fraction approaches 100% near the bottom outlet, confirming superior conversion efficiency. By integrating PINNs, the prediction accuracy was substantially improved, with flow field errors in the catalyst beds below 4.5% and ammonia concentration prediction accuracy above 97.2%. Key reaction kinetic parameters (pre-exponential factor k0 and activation energy Ea) were successfully inverted with errors within 7%, while computational efficiency increased by 200 times compared to traditional CFD. The proposed CFD–PINN integrated framework provides a high-fidelity and computationally efficient simulation tool for green ammonia reactor design, particularly suitable for scenarios with fluctuating hydrogen supply. The reactor design reduces energy per unit ammonia and improves conversion efficiency. Its radial flow configuration enhances operational stability by damping feed fluctuations, thereby accelerating green hydrogen adoption. By reducing fossil fuel dependence, it promotes industrial decarbonization. Full article
(This article belongs to the Section AI-Enabled Process Engineering)
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19 pages, 4538 KB  
Article
Structural Optimization of Numerical Simulation for Spherical Grid-Structured Microporous Aeration Reactor
by Yipeng Liu, Hui Nie, Yangjiaming He, Yinkang Xu, Jiale Sun, Nan Chen, Saihua Huang, Hao Chen and Dongfeng Li
Water 2025, 17(15), 2302; https://doi.org/10.3390/w17152302 - 2 Aug 2025
Viewed by 466
Abstract
As the core equipment for efficient wastewater treatment, the internal structure of microporous aeration bioreactors directly determines the mass transfer efficiency and treatment performance. Based on Computational Fluid Dynamics (CFD) technology, this study explores the optimization mechanism of a Spherical Grid-Structured on the [...] Read more.
As the core equipment for efficient wastewater treatment, the internal structure of microporous aeration bioreactors directly determines the mass transfer efficiency and treatment performance. Based on Computational Fluid Dynamics (CFD) technology, this study explores the optimization mechanism of a Spherical Grid-Structured on the internal flow field of the reactor through a 3D numerical simulation system, aiming to improve the aeration efficiency and resource utilization. This study used a combination of experimental and numerical simulations to compare and analyze different configurations of the Spherical Grid-Structure. The simulation results show that the optimal equilibrium of the flow field inside the reactor is achieved when the diameter of the grid sphere is 2980 mm: the average flow velocity is increased by 22%, the uniformity of the pressure distribution is improved by 25%, and the peak turbulent kinetic energy is increased by 30%. Based on the Kalman vortex street theory, the periodic vortex induced by the grid structure refines the bubble size to 50–80 microns, improves the oxygen transfer efficiency by 20%, increases the spatial distribution uniformity of bubbles by 35%, and significantly reduces the dead zone volume from 28% to 16.8%, which is a decrease of 40%. This study reveals the quantitative relationship between the structural parameters of the grid and the flow field characteristics through a pure numerical simulation, which provides a theoretical basis and quantifiable optimization scheme for the structural design of the microporous aeration bioreactor, which is of great significance in promoting the development of low-energy and high-efficiency wastewater treatment technology. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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27 pages, 1739 KB  
Article
Hybrid Small Modular Reactor—Renewable Systems for Smart Cities: A Simulation-Based Assessment for Clean and Resilient Urban Energy Transitions
by Nikolay Hinov
Energies 2025, 18(15), 3993; https://doi.org/10.3390/en18153993 - 27 Jul 2025
Viewed by 751
Abstract
The global transition to clean energy necessitates integrated solutions that ensure both environmental sustainability and energy security. This paper proposes a scenario-based modeling framework for urban hybrid energy systems combining small modular reactors (SMRs), photovoltaic (PV) generation, and battery storage within a smart [...] Read more.
The global transition to clean energy necessitates integrated solutions that ensure both environmental sustainability and energy security. This paper proposes a scenario-based modeling framework for urban hybrid energy systems combining small modular reactors (SMRs), photovoltaic (PV) generation, and battery storage within a smart grid architecture. SMRs offer compact, low-carbon, and reliable baseload power suitable for urban environments, while PV and storage enhance system flexibility and renewable integration. Six energy mix scenarios are evaluated using a lifecycle-based cost model that incorporates both capital expenditures (CAPEX) and cumulative carbon costs over a 25-year horizon. The modeling results demonstrate that hybrid SMR–renewable systems—particularly those with high nuclear shares—can reduce lifecycle CO2 emissions by over 90%, while maintaining long-term economic viability under carbon pricing assumptions. Scenario C, which combines 50% SMR, 40% PV, and 10% battery, emerges as a balanced configuration offering deep decarbonization with moderate investment levels. The proposed framework highlights key trade-offs between emissions and capital cost and seeking resilient and scalable pathways to support the global clean energy transition and net-zero commitments. Full article
(This article belongs to the Special Issue Challenges and Opportunities in the Global Clean Energy Transition)
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