Search Results (601)

This review surveys recent advances and emerging prospects in phase-transfer catalysis (PTC) for fuel desulfurization. In response to increasingly stringent environmental regulations, the removal of sulfur from transportation fuels has become imperative for curbing SO_x emissions. Conventional hydrodesulfurization (HDS) operates under severe temperature–pressure conditions and displays limited efficacy toward sterically hindered thiophenic compounds, motivating the exploration of non-hydrogen routes such as oxidative desulfurization (ODS). Within ODS, PTC offers distinctive benefits by shuttling reactants across immiscible phases, thereby enhancing reaction rates and selectivity. In particular, PTC enables efficient migration of organosulfur substrates from the hydrocarbon matrix into an aqueous phase where they are oxidized and subsequently extracted. The review first summarizes the deployment of classic PTC systems—quaternary ammonium salts, crown ethers, and related agents—in ODS operations and then delineates the underlying phase-transfer mechanisms, encompassing reaction-controlled, thermally triggered, photo-responsive, and pH-sensitive cycles. Attention is next directed to a new generation of catalysts, including quaternary-ammonium polyoxometalates, imidazolium-substituted polyoxometalates, and ionic-liquid-based hybrids. Their tailored architectures, catalytic performance, and mechanistic attributes are analyzed comprehensively. By incorporating multifunctional supports or rational structural modifications, these systems deliver superior desulfurization efficiency, product selectivity, and recyclability. Despite such progress, commercial deployment is hindered by the following outstanding issues: long-term catalyst durability, continuous-flow reactor design, and full life-cycle cost optimization. Future research should, therefore, focus on elucidating structure–performance relationships, translating batch protocols into robust continuous processes, and performing rigorous environmental and techno-economic assessments to accelerate the industrial adoption of PTC-enabled desulfurization. Full article

Esterification is a key transformation in the production of lubricants, pharmaceuticals, and fine chemicals. Conventional processes employing homogeneous acid catalysts suffer from limitations such as corrosive byproducts, energy-intensive separation, and poor catalyst reusability. This review provides a comprehensive overview of heterogeneous catalytic systems, including ion exchange resins, zeolites, metal oxides, mesoporous materials, and others, for improved ester synthesis. Recent advances in membrane-integrated reactors, such as pervaporation and nanofiltration, which enable continuous water removal, shifting equilibrium and increasing conversion under milder conditions, are reviewed. Dual-functional membranes that combine catalytic activity with selective separation further enhance process efficiency and reduce energy consumption. Enzymatic systems using immobilized lipases present additional opportunities for mild and selective reactions. Future directions emphasize the integration of pervaporation membranes, hybrid catalyst systems combining biocatalysts and metals, and real-time optimization through artificial intelligence. Modular plug-and-play reactor designs are identified as a promising approach to flexible, scalable, and sustainable esterification. Overall, the interaction of catalyst development, membrane technology, and digital process control offers a transformative platform for next-generation ester synthesis aligned with green chemistry and industrial scalability. Full article

The increasing demand for sustainable energy has spurred the exploration of advanced technologies for biodiesel production. This paper investigates the use of Dielectric Barrier Discharge (DBD)-generated low-temperature plasmas to enhance the conversion of fatty acid methyl esters (FAMEs) into hydrogenated fatty acid methyl esters (H-FAMEs) and other high-value hydrocarbons. A key mechanistic advance is achieved via in situ distillation: at the reactor temperature, unsaturated C18 and C20 FAMEs remain liquid due to their low melting points, while the corresponding saturated C18:0 and C20:0 FAMEs (with melting points of approximately 37–39 °C and 46–47 °C, respectively) solidify and deposit on a glass substrate. This phase separation continuously exposes fresh unsaturated FAME to the plasma, driving further hydrogenation and thereby delivering high overall conversion efficiency. The non-thermal, energy-efficient nature of DBD plasmas offers a promising alternative to conventional high-pressure, high-temperature methods; here, we evaluate the process efficiency, product selectivity, and scalability of this room-temperature, atmospheric-pressure approach and discuss its potential for sustainable fuel-reforming applications. Full article

The biomass-to-liquid process is a promising alternative for sustainably meeting the growing demand for liquid fuels. This study focuses on the fabrication, characterization, and performance of a structured iron catalyst for producing hydrocarbons through Fischer–Tropsch synthesis (FTS). The catalyst was designed to address some drawbacks of conventional supported catalysts, such as low utilization, poor activity, and instability. The experimental investigation involved the manufacturing and characterization of both promoted and unpromoted iron-based catalysts. The performance of the structured iron catalyst was assessed in a fixed-bed reactor under relevant industrial conditions. Notably, the best results were achieved with a syngas ratio typical of the gasification of lignocellulosic biomass, where the catalyst exhibited superior catalytic activity and selectivity toward desired hydrocarbon products, including light olefins and long-chain paraffins. The resulting structured catalyst achieved up to 95% CO conversion in a single pass with 5% selectivity for CH₄. The results indicate that the developed structured iron catalyst has considerable potential for efficient and sustainable hydrocarbon production via the Fischer–Tropsch synthesis. The catalyst’s performance, enhanced stability, and selectivity present promising opportunities for its application in large-scale hydrocarbon synthesis processes. Full article

CO₂-biomethanation was studied in the present manuscript by considering the direct injection of hydrogen into a conventional anaerobic digester treating sewage sludge within a simulated wastewater treatment plant (WWTP). The plant was simulated using the Python 3.12.4 software, and a Monte Carlo simulation was conducted to account for the high variability in the organic content of the wastewater and the methane potential of the sludge. Two modes of operation were studied. The first mode involves the use of an anaerobic digester to upgrade biogas, and the second mode considers using the digester as a CO₂ utilization unit, transforming captured CO₂. Upgrading biogas and utilizing the extra methane to generate electricity within the same plant leads to a negative economic balance (first scenario). A hydrogen injection of 1 L of H₂/L_r d (volumetric H₂ injection per liter of reactor per day) was required to transform the CO₂ present in the biogas into methane. The benefits associated with this approach resulted in lower savings regarding heat recovery from the electrolyzer, increased electricity production, and an additional oxygen supply for the waste-activated sludge treatment system. Increasing the injection rate to values of 5 and 30 L of H₂/L_r d was also studied by considering the operation of the digester under thermophilic conditions. The latter assumptions benefited from the better economy of scale associated with larger installations. They allowed for enough savings to be obtained in terms of the fuel demand for sludge drying, in addition to the previous categories analyzed in the biogas upgrading case. However, the current electricity price makes the proposal unfeasible unless a lower price is set for hydrogen generation. A standard electricity price of 7.6 c€/kWh was assumed for the analysis, but the specific operation of producing hydrogen required a price below 3.0 c€/kWh to achieve profitability. Full article

Pebble Bed Reactors (PBRs) represent a new generation of nuclear reactors. However, modeling TRi-structural ISOtropic (TRISO) fuel particles employed in PBRs presents a unique challenge in comparison to most conventional reactor designs. Rapid generation of different possible fuel particle configurations for Monte-Carlo simulations provides improved insights into the effects of particle distribution irregularities on the neutron economy. Defective pebbles could cause changes in the neutron flux in a nuclear reactor due to increased or decreased moderating effects. Different configurations of particle fuel also impact isotope production within the nuclear reactor. This study simulates several TRISO configurations representing limited capabilities of randomization algorithms, manufacturing defects configurations and/or special pebble design. All predictions are compared to an equivalent homogenized model used as baseline. The results show that the TRISO configuration has a non-negligible impact on the parameters under consideration. To explain these results, the ratio of the thermal flux of each model to the thermal flux of the homogeneous model is calculated. A clear pattern is observed in the data: as irregularities in the moderator medium emerge due to the distribution of TRISO particles, the neutron spectrum softens, leading to higher values of k_∞ and better fuel utilization. This dependence of the spectrum on the TRISO configuration is used to explain the pattern observed in the depletion calculation. The results open the possibility of optimizing the TRISO configuration in manufactured pebbles for fuel utilization and safeguards. Future work should focus on full core simulations to determine the extent of these findings. Full article

This paper presents a techno-economic assessment of liquid hydrogen produced from small modular reactors (SMRs) for maritime applications. Pink hydrogen is examined as a carbon-free alternative to conventional marine fuels, leveraging the zero-emission profile and dispatchable nature of nuclear energy. Using Greece as a case study, the analysis includes both production and transportation costs, along with a sensitivity analysis on key parameters influencing the levelized cost of hydrogen (LCOH), such as SMR and electrolyzer CAPEX, uranium cost, and SMR operational lifetime. Results show that with an SMR CAPEX of 10,000 EUR/kW, the LCOH reaches 6.64 EUR/kg, which is too high to compete with diesel under current market conditions. Economic viability is achieved only if carbon costs rise to 0.387 EUR/kg and diesel prices exceed 0.70 EUR/L. Under these conditions, a manageable deployment of fewer than 1000 units (equivalent to 77 GW) is sufficient to achieve economies of mass production. Conversely, lower carbon and fuel prices require over 10,000 units (770 GW), rendering their establishment impractical. Full article

Plastic waste is currently a major concern in Romania due to the annual increase in quantities generated from anthropogenic and industrial activities, especially from end-of-life vehicles (ELVs), and the need to reduce environmental impact. This study investigates an alternative valorization route for polypropylene (PP) and polyethylene (PE) plastic waste through microwave-assisted pyrolysis, aiming to maximize conversion into gaseous products, particularly hydrogen-rich gas. A monomode microwave reactor was employed, using layered configurations of plastic feedstock, silicon carbide as a microwave susceptor, and activated carbon as a catalyst. The influence of catalyst loading, reactor configuration, and plastic type was assessed through systematic experiments. Results showed that technical-grade PP, under optimal conditions, yielded up to 81.4 wt.% gas with a hydrogen concentration of 45.2 vol.% and a hydrogen efficiency of 44.8 g/g. In contrast, PE and mixed PP + PE waste displayed lower hydrogen performance, particularly when containing inorganic fillers. For all types of plastics studied, the gaseous fractions obtained have a high calorific value (46,941–55,087 kJ/kg) and at the same time low specific CO₂ emissions (4.4–6.1 × 10⁻⁵ kg CO₂/kJ), which makes these fuels very efficient and have a low carbon footprint. Comparative tests using conventional heating revealed significantly lower hydrogen yields (4.77 vs. 19.7 mmol/g plastic). These findings highlight the potential of microwave-assisted pyrolysis as an efficient method for transforming ELV-derived plastic waste into energy carriers, offering a pathway toward low-carbon, resource-efficient waste management. Full article

The conventional spent lithium-ion batteries (LIBs) recycling method suffers from complex processes and excessive chemical consumption. Hence, this study proposes an electrochemical strategy for achieving reductant-free leaching of high-valence transition metals and efficient separation of valuable components from spent cathode sheets (CSs). An innovatively designed sandwich-structured electrochemical reactor achieved efficient reductive dissolution of cathode materials (CMs) while maintaining the structural integrity of aluminum (Al) foils in a dilute sulfuric acid system. Optimized current enabled leaching efficiencies exceeding 93% for lithium (Li), cobalt (Co), manganese (Mn), and nickel (Ni), with 88% metallic Al foil recovery via cathodic protection. Multi-scale characterization systematically elucidated metal valence evolution and interfacial reaction mechanisms, validating the technology’s tripartite innovation: simultaneous high metal extraction efficiency, high value-added Al foil recovery, and organic removal through single-step electrochemical treatment. The process synergized the dissolution of CM particles and hydrogen bubble-induced physical liberation to achieve clean separation of polyvinylidene difluoride (PVDF) and carbon black (CB) layers from Al foil substrates. This method eliminates crushing pretreatment, high-temperature reduction, and any other reductant consumption, establishing an environmentally friendly and efficient method of comprehensive recycling of battery materials. Full article

Under the accelerating global energy restructuring and the deepening carbon neutrality strategy, hydrogen energy has emerged with increasing strategic value as a zero-carbon secondary energy carrier. Water electrolysis technology based on renewable energy is regarded as an ideal pathway for large-scale green hydrogen production. However, polymer electrolyte membrane (PEM) conventional water electrolysis faces dual constraints in economic feasibility and scalability due to its high electrical energy consumption and reliance on noble metal catalysts. The mixed ionic-electronic conducting oxygen transport membrane (MIEC–OTM) reactor technology offers an innovative solution to this energy efficiency-cost paradox due to its thermo-electrochemical synergistic energy conversion mechanism and process integration. This not only overcomes the thermodynamic equilibrium limitations in traditional electrolysis but also reduces electrical energy demand by effectively coupling with medium- to high-temperature heat sources such as industrial waste heat and solar thermal energy. Therefore, this review, grounded in the physicochemical mechanisms of oxygen transport membrane reactors, systematically examines the influence of key factors, including membrane material design, catalytic interface optimization, and parameter synergy, on hydrogen production efficiency. Furthermore, it proposes a roadmap and breakthrough directions for industrial applications, focusing on enhancing intrinsic material stability, designing multi-field coupled reactors, and optimizing system energy efficiency. Full article

Recent advances in high-fidelity modeling, numerical computing, and data science have spurred interest in model-data integration for nuclear reactor applications. While machine learning often prioritizes data-driven predictions, this study focuses on data assimilation (DA) to synergize physical models with measured data, aiming to enhance predictive accuracy and reduce uncertainties. We implemented deterministic DA methods—Kalman filter (KF) and three-dimensional variational (3D-VAR)—in a one-dimensional single-phase natural circulation loop and extended 3D-VAR to RELAP5, a system code for two-phase loop analysis. Unlike surrogate-based or model-reduction strategies, our approach leverages full-model propagation without relying on computationally intensive sampling. The results demonstrate that KF and 3D-VAR exhibit robustness against varied noise types, intensities, and distributions, achieving significant uncertainty reduction in state variables and parameter estimation. The framework’s adaptability is further validated under oceanic conditions, suggesting its potential to augment baseline models beyond conventional extrapolation boundaries. These findings highlight DA’s capacity to improve model calibration, safety margin quantification, and reactor field reconstruction. By integrating high-fidelity simulations with real-world data corrections, the study establishes a scalable pathway to enhance the reliability of nuclear system predictions, emphasizing DA’s role in bridging theoretical models and operational demands without compromising computational efficiency. Full article

Improving the tracking accuracy and effectiveness of the pressurizer control system with respect to the reference signal is an effective method to enhance the safe and stable operation of nuclear reactors. This paper applies preview tracking control to the pressurizer control system. For the simplified control system model of the pressurizer, we first study its general structure, which can be characterized as a discrete-time system with state delay. Unlike conventional control systems, the system considered in this study features control inputs that are represented as cumulative sums of historical inputs. In order to design a preview tracking controller for such systems, we adopt the difference method and state augmentation technique and introduce an equality containing the reference signal and a discrete integrator to construct an augmented error system. Simultaneously, a performance signal is defined to evaluate the impact of external disturbances on system performance. Thus, the preview tracking control problem of the original system is reformulated as an $H_{\infty }$ control problem for the augmented error system. Subsequently, a memory-based state feedback controller is designed for the augmented error system. Then, by employing the Lyapunov function and linear matrix inequality (LMI), the $H_{\infty }$ preview tracking controller for the original system is derived. Finally, the proposed control strategy is applied to a pressurizer control system model, and numerical simulations are conducted to validate the effectiveness of the proposed controller by using MATLAB (R2023a, MathWorks, Natick, MA, USA). Full article

Removal of micropollutants using biological treatment systems remains a challenge, since conventional bioprocess systems require adaptations to provide more advanced treatment. An ambient temperature upflow anaerobic sludge blanket (UASB) reactor was employed, followed by a two-stage (saturated and unsaturated) vertical subsurface flow (VSSF) constructed wetland (CW) system, to treat domestic wastewater from a nearby settlement and investigate the occurrence and fate of 10 contaminants of emerging concern (CECs) in decentralized, non-conventional treatment systems. The integrated UASB—two-stage CW system achieved high performance regarding abatement of target CECs across all periods. Removal efficiencies ranged from 78% ± 21% (ketoprofen) to practically 100% (2-hydroxybenzothiazole). The pilot system was found to be robust performance-wise and provided enhanced treatment in comparison to a conventional wastewater treatment plant operating in parallel. Most of the target CECs were successfully treated by UASB, saturated and unsaturated CWs, while ibuprofen, bisphenol A and diclofenac were mostly removed in the unsaturated CW. Environmental risk assessment revealed that triclosan poses a significant ecological risk to algae during treated wastewater disposal into the aquatic environment. Additionally, cumulative risk quotient indicated that the potential for mixture toxicity should be carefully considered across all trophic levels. Full article

Lithium hydride (LiH) is one promising material for nuclear reactor shielding due to its high hydrogen content, but its poor mechanical strength and thermal conductivity pose challenges for fabricating large, crack-free ceramic components via conventional sintering. This study explores microwave sintering as a potential solution to enhance heating uniformity and reduce thermal stress during densification of bulk LiH ceramics. Using implicit function and level set methods, we numerically simulated the microwave field distribution and thermal response in both stationary and rotating samples. The results show that rotational heating improves temperature uniformity by up to 12.9% for specific samples, although uniform temperature control remains difficult through rotation alone. To mitigate stress accumulation from thermal gradients, we propose a cyclic sintering–resting strategy, which leverages LiH’s tensile strength–temperature envelope to guide safe and efficient processing. This strategy successfully reduced total sintering time from several days to 1.63 h without inducing cracks. Our findings offer practical insights into optimizing microwave sintering parameters for large-scale LiH ceramic production and contribute to enabling its application in advanced nuclear shielding systems. Full article

This study evaluated the economic feasibility of producing hydrogen from natural gas via thermal degradation in a plasma reactor. Plasma pyrolysis, where natural gas passes through the space between electrodes and serves as the working medium, enables high hydrogen yields without emitting carbon monoxide or carbon dioxide. Instead, the primary products are hydrogen and solid carbon. Unlike conventional methods, this approach requires no catalysts, addressing a major technological limitation. A thermodynamic equilibrium model based on Gibbs free energy minimization was used to analyze the process over a temperature range of 500–2500 K. The results indicate an optimal temperature of approximately 1500 K, which achieved a 99.5% methane conversion by mass. Considering the capital and operating costs and profit margins, the hydrogen production cost was estimated at 3.49 EUR/kg. The sensitivity analysis revealed that the price of solid carbon had the most significant impact, which potentially raised the hydrogen cost to 4.53 EUR/kg or reduced it to 1.70 EUR/kg. Full article