Search Results (115)

Accurate evaluation of the thermal conductivity of UO₂ with defects is very significant for optimizing fuel performance and enhancing the safety design of reactors. We employed a method that combines the Boltzmann transport equation with DFT+U to calculate the thermal conductivity of UO₂ containing fission products and irradiation-induced point defects. Our investigation reveals that the thermal conductivity of UO₂ is influenced by defect concentration, defect type, and temperature. Fission products and irradiation defects result in a decrease in thermal conductivity, but they have markedly different impacts on phonon scattering mechanisms. Metal cations tend to scatter low-frequency phonons (less than 5.8 THz), while the fission gas xenon scatters both low-frequency and high-frequency phonons (greater than 5.8 THz), depending on its occupancy at lattice sites. Uranium vacancies scatter low-frequency phonons, while oxygen vacancies scatter high-frequency phonons. When uranium and oxygen vacancies coexist, they scatter phonons across the entire frequency spectrum, which further results in a significant reduction in the thermal conductivity of UO₂. Our calculated results align well with experimental data across a wide temperature range and provide fundamental insights into the heat transfer mechanisms in irradiated UO₂. These findings are essential for establishing a thermal conductivity database for UO₂ under various irradiation conditions and benefit the development of advanced high-performance UO₂ fuel. Full article

Inconel 617 is a nickel-based superalloy that is a primary candidate for use in next-generation nuclear applications such as the Gen IV Molten Salt Reactor (MSR) and Very-High-Temperature Reactor (VHTR) due to its corrosion and oxidation resistance and high strength in elevated temperatures. However, Inconel 617 machinability is poor due to its hardness and tendency to work harden during manufacturing. While the machinability of its sister grade, Inconel 718, has been widely studied and understood due to its applications in aerospace, there is a lack of knowledge regarding the behaviour of Inconel 617 in machining. To address this gap, this paper investigates the influence of cutting parameters in the turning of Inconel 617 and compares the impact of Minimum Quantity Lubrication (MQL) turning against conventional coolant. This investigation was performed through three distinct studies: Study A compared the performance of commercial coatings, Study B investigated the influence of cutting parameters on the surface finish, and Study C compared the performance of MQL to flood coolant. This work demonstrated that AlTiN coatings performed the best and doubled the tool life of a standard tungsten carbide insert compared to its uncoated form. Additionally, the feed rate had the largest impact on the surface roughness, especially at high feeds, with the best surface quality found at the lowest feed rate of 0.075 mm/rev. The utilization of MQL had mixed results compared to a conventional flood coolant in the machining of Inconel 617. Surface finish was improved as high as 47% under MQL conditions compared to the flood coolant; however, work hardening at the surface was also shown to increase by 10–20%. Understanding this, it is possible that MQL can completely remove the need for a conventional coolant in the machining of Inconel 617 components for the manufacturing of next-generation reactors. Full article

Lignin is the largest renewable source of aromatic biopolymers on Earth, and it is commercially available as by-product of biorefineries and pulp/paper industries. It is mainly burned for heat and power, but pyrolysis can provide high-value-added products. In this study, the pyrolysis characteristics of alkali lignin pellets are investigated using a packed-bed reactor at a laboratory scale for heating temperatures of 800–900 K. Conversion dynamics are analyzed by means of the thermal field and the rates of gaseous species release, which is a very innovative aspect of the study. The yields of the lumped product classes do not vary significantly in the range of heating temperatures examined (biochar yields around 58–63 wt%, together with gas and liquid yields around 9–12 and 28–30 wt%, respectively). Carbon dioxide is the most abundant gaseous product, followed by methane and carbon monoxide (smaller amounts of C₂ hydrocarbons and hydrogen), while bio-oil is rich in phenolic compounds, especially guaiacols, cresols, and phenol. A comparison with the conversion dynamics of fir, beech, and straw reveals that, mainly as a consequence of softening and melting, the lignin heat- and mass-transfer rates as well as actual reaction temperatures are profoundly different. In fact, the characteristic process size becomes the diameter of the reactor rather than that of the pellets. Full article

Primary and low-strain creep represents a very important integrity challenge to large, complex structures, like fusion reactors. Here, we develop a predictive empirical primary creep model for 9Cr tempered martensitic steels (TMS), relating the applied stress (σ) to strain (ε), time (t) and temperature (T). The most accurate model is based on the applied σ normalized by the steel’s T-dependent ultimate tensile stress (σ_o), σ/σ_o(T). The model, fit to 17 heats of 9Cr TMS, yielded a σ root mean square error (RMSE) of ≈±11 MPa. Notably, the model also provides robust predictions for all the other TMS, when calibrated only by the fusion candidate Eurofer97 database. The model was extended to explore two possible effects of neutron irradiation, which produces both displacements per atom (dpa) and helium (He in atomic parts per million, appm) damage. These effects, which have not been previously considered, include: (a) softening, as a function of dpa, at T > ≈400–450 °C, in low-He fission environments (<1 He/dpa); and (b) subsequent re-hardening in high-He (≥10 He/dpa) fusion first-wall environments. The irradiation effect models predict (a) accelerated primary creep due to irradiation softening; and (b) fully arrested creep due to high-He re-hardening. Full article

The urgent need for sustainable strategies to mitigate climate change has spurred the development of efficient carbon sequestration methods with minimal greenhouse gas emissions, presenting promising opportunities to produce biochar and, with this bioproduct, enhance crop productivity. Therefore, this research aimed to evaluate the carbon footprint produced by the low-temperature slow pyrolysis of biomass obtained from the pruning residues of four tree species present in parks and gardens of the southern Andean region of Ecuador. An electric reactor (ER), powered by 44 solar panels of 535 W each, was used to perform the pyrolysis process at 350 °C over four hours. For each species—Persea americana, Polylepis spp., Acacia spp., and Prunus salicifolia—three replicates of the process were conducted using 1.5 kg of biomass per trial. The results showed that Acacia spp. residues produced biochar with higher bulk density (0.303 g/cm³), organic matter (82.85%), total organic carbon (71.21%), oxygen (27.84%), C/N ratio (120.69), and potassium (459.12 ppm). The biochar produced from Prunus salicifolia exhibited the highest levels of pollutant gas emissions and carbon footprint (5.93 × 10⁻⁶ ton∙m⁻³ CO₂ eq and 0.001067 ton∙m⁻³ CO₂ eq, respectively). In contrast, the biochar produced from Polylepis spp. was the least polluting (0.001018 ton∙m⁻³ CO₂ eq), highlighting its potential as a source for biochar production from tree species found in the southern Andean region of Ecuador. Meanwhile, the pyrolysis of Persea americana (avocado) resulted in very low gas emissions, although it exhibited the second-highest carbon footprint due to the high energy consumption associated with the process. In conclusion, this study identified Persea americana and Polylepis spp. as the best options for biochar production through pyrolysis, positioning them as viable alternatives for developing sustainable strategies to mitigate climate change. Full article

Rising greenhouse gas concentrations are causing climatic change that threatens ecosystem sustainability. This study investigated the impact of silica incorporation into alumina-supported nickel catalysts for the partial oxidation of methane (POM), a crucial process for syngas production. The investigation also focuses on the impact of using different calcination temperatures. The catalysts were synthesized using the impregnation method and structurally characterized with BET, TPR, FTIR, UV, XRD, TGA, Raman, and TEM analysis techniques. These characterization techniques revealed that increasing the silica content reduced the surface area and weakened the interaction between nickel and the support. The calcination temperature significantly influenced catalyst properties, affecting pore structure, nickel reducibility, and the formation of nickel aluminates and silicates. Activity tests of synthesized catalysts were performed in a packed-bed reactor at 600 °C with a 24 mL/min gas flow rate. The catalyst composition of 5Ni/10Si + 90Al demonstrated the highest activity, achieving optimal performance at lower calcination temperatures. This catalyst generates a greater concentration of active sites, primarily due to nickel oxide (NiO), which creates these sites through both mild and strong interactions. The degree of graphitization is notably lowest for the 5Ni/10Si + 90Al composition. This catalyst achieved an impressive hydrogen yield of approximately 54%, with an H₂/CO ratio of 3.4 over a streaming period of up to 240 min. When the silica loading exceeds 10 wt.%, the interaction between the metal and the support weakens, resulting in a significant decrease in surface area and, subsequently, lower catalytic activity. The 5Ni/10Si + 90Al catalyst, which was prepared with calcination temperatures above 500 °C, has very few active sites during the Partial Oxidation of Methane (POM) reaction at a reaction temperature of 600 °C. This catalyst also exhibits a high degree of crystallinity, which leads to reduced exposure of the active sites. As a result, incorporating higher weight percentages of silica into the 5Ni/xSi + (100 − x) Al catalysts results in decreased activity. When the silica loading exceeds 10 wt.%, the interaction between the metal and the support weakens, resulting in a significant decrease in surface area and, subsequently, lower catalytic activity. The 5Ni/10Si + 90Al catalyst, which was prepared with calcination temperatures above 500 °C, has very few active sites during the POM reaction at a reaction temperature of 600 °C. This catalyst also exhibits a high degree of crystallinity, which leads to reduced exposure of the active sites. As a result, incorporating higher wt.% of silica into the 5Ni/xSi + (100 − x) Al catalysts results in decreased activity. These findings highlight the complex interplay between silica content, calcination temperature, and catalyst properties, significantly influencing catalytic performance in POM. Full article

Tetrafluoromethane (CF₄) is the simplest perfluorocarbon, a class of compounds with very high greenhouse gas potential. Catalytic hydrolysis offers an opportunity to convert these compounds to manageable CO₂ and HF. Recently published data showed the effectiveness of Ga-doping to overcome the fluorine poisoning of various Al₂O₃ catalysts at relatively modest temperatures. This prior work offered a partial catalytic mechanism together with kinetic and conversion data. The current paper completes the catalytic mechanism, and then analyzes it using the Langmuir–Hinshelwood algorithm for both the initial CF₄ conversion, and the catalyst site regeneration. The resulting derived rate expression, together with a catalyst activity coefficient expression, are then used in flow reactor configurations to simulate both relatively short exposure time runs with little loss of activity, as well as longer runs with severe activity loss. The reasonable agreement with the published laboratory data suggests that these expressions can be used for a larger-scale practical reactor design. Full article

The development and deployment of a new generation of nuclear reactors necessitates a thorough evaluation of techniques used to characterize nuclear materials for nuclear forensic applications. Advanced fuels proposed for use in these reactors present both challenges and opportunities for the nuclear forensic field. Many efforts in pre-detonation nuclear forensics are currently focused on the analysis of uranium oxides, uranium ore concentrates, and fuel pellets since these materials have historically been found outside of regulatory control. The increasing use of TRISO particles, metal fuels, molten fuel salts, and novel ceramic fuels will require an expansion of the current nuclear forensic suite of signatures to accommodate the different physical dimensions, chemical compositions, and material properties of these advanced fuel forms. In this work, a semi-quantitative priority scoring system is introduced to identify the order in which the nuclear forensics community should pursue research and development on material signatures for advanced reactor designs. This scoring system was applied to propose the following priority ranking of six major advanced reactor categories: (1) molten salt reactor (MSR), (2) liquid metal-cooled reactor (LMR), (3) very-high-temperature reactor (VHTR), (4) fluoride-salt-cooled high-temperature reactor (FHR), (5) gas-cooled fast reactor (GFR), and (6) supercritical water-cooled reactor (SWCR). Full article

Background: The issue of renewable energy (RE) source intermittency, such as wind and solar, along with the geographically uneven distribution of the global RE potential, makes it imperative to establish an energy transport medium to balance the energy demand and supply areas. A promising energy vector to address this situation is hydrogen, which is considered a clean energy carrier for various mobile and portable applications. Unfortunately, at standard pressure and temperature, its energy content per volume is very low (0.01 kJ/L). This necessitates alternative storage technologies to achieve reasonable capacities and enable economically viable long-distance transportation. Among the hydrogen storage technologies using chemical methods, liquid organic hydrogen carrier (LOHC) systems are considered a promising solution. They can be easily managed under ambient conditions, the H₂ storage/release processes are carbon-free, and the carrier liquid is reusable. However, the evolution of the proposals from the carrier liquid type and catalyst elemental composition point of view is scarcely studied, considering that both are critical in the performance of the system (operational parameters, kinetic of the reactions, gravimetric hydrogen content, and others) and impact in the final cost of the technology deployed. The latter is due to the use of the Pt group elements (PGEs) in the catalyst that, for example, have a high demand in the hydrogen production sector, particularly for polymer electrolyte membrane (PEM) water electrolysis. With that in mind, our objective was to examine the evolution and the focus of the research in recent years related to proposals of LOHCs and catalysts for hydrogenation and dehydrogenation reactions in LOHC systems which can be useful in defining routes/strategies for new participants interested in becoming involved in the development of this technology. Data sources: For this systematic review, we searched the SCOPUS database and forward and backward citations for studies published in the database between January 2011 and December 2022. Eligibility criteria: The criteria include articles which assessed or studied the effect of the type of catalyst, type of organic liquid, reactor design(s)/configuration(s), and modification of the reactor operational parameters, among others, over the performance of the LOHC system (de/hydrogenation reaction(s)). Data extraction and analysis: The relevant data from each reviewed study were collected and organized into a pre-designed table on an Excel spreadsheet, categorized by reference, year, carrier organic liquid, reaction (hydrogenation and/or dehydrogenation), investigated catalyst, and primary catalyst element. For processing the data obtained from the selected scientific publications, the data analysis software Orbit Intellixir was employed. Results: For the study, 233 studies were included. For the liquid carrier side, benzyltoluene and carbazole dominate the research strategies. Meanwhile, platinum (Pt) and palladium (Pd) are the most employed catalysts for dehydrogenation reactions, while ruthenium (Ru) is preferred for hydrogenation reactions. Conclusions: From the investigated liquid carrier, those based on benzyltoluene and carbazole together account for over 50% of the total scientific publications. Proposals based on indole, biphenyl, cyclohexane, and cyclohexyl could be considered to be emerging within the time considered in this review, and, therefore, should be monitored for their evolution. A great activity was detected in the development of catalysts oriented toward the dehydrogenation reaction, because this reaction requires high temperatures and presents slow H₂ release kinetics, conditioning the success of the implementation of the technology. Finally, from the perspective of the catalyst composition (monometallic and/or bimetallic), it was identified that, for the dehydrogenation reaction, the most used elements are platinum (Pt) and palladium (Pd), while, for the hydrogenation reaction, ruthenium (Ru) widely leads its use in the different catalyst designs. Therefore, the near-term initiatives driving progress in this field are expected to focus on the development of new or improved catalysts for the dehydrogenation reaction of organic liquids based on benzyltoluene and carbazole. Full article

(1) Background: Supercritical water-cooled reactors (SCWRs) and their smaller modular variants (SMRs) are part of the ‘Generation IV International Forum’ (GIF) on advanced nuclear energy systems. These reactors operate beyond the critical point of water (t_c = 373.95 °C and P_c = 22.06 MPa), which introduces specific technical challenges that need to be addressed. The primary concerns involve the effects of intense radiation fields—including fast neutrons, recoil protons/oxygen ions, and γ rays—on the chemistry of the coolant fluid and the integrity of construction materials. (2) Methods: This study employs Monte Carlo simulations of radiation track chemistry to investigate the yields of radiolytic species in SCWRs/SMRs exposed to 2 MeV neutrons. In our calculations, only the contributions from the first three recoil protons with initial energies of 1.264, 0.465, and 0.171 MeV were considered. Our analysis was conducted at both subcritical (300 and 350 °C) and supercritical temperatures (400–600 °C), maintaining a constant pressure of 25 MPa. (3) Results: Our simulations provide insights into the radiolytic formation of chemical species such as e⁻_aq, H^●, H₂, ^●OH, and H₂O₂ from ~1 ps to 1 ms. Compared to data from radiation with low linear energy transfer (LET), the G(e⁻_aq) and G(^●OH) values obtained for fast neutrons show a similar temporal dependence but with smaller amplitude—a result demonstrating the high LET nature of fast neutrons. A notable outcome of our simulations is the marked increase in G(^●OH) and G(H₂), coupled with a corresponding reduction in G(H^●), observed during the homogeneous chemical stage of radiolysis. This evolution is attributed to the oxidation of water by the H^● atom according to the reaction H^● + H₂O → ^●OH + H₂. This reaction acts as a significant source of H₂, potentially reducing the need to add extra hydrogen to the reactor’s coolant water to suppress the net radiolytic production of oxidizing species. Unlike in subcritical water, our simulations also indicate that G(H₂O₂) remains very low in low-density SCW throughout the interval from ~1 ps to 1 ms, suggesting that H₂O₂ is less likely to contribute to oxidative stress under these conditions. (4) Conclusions: The results of this study could significantly impact water-chemistry management in the proposed SCWRs and SCW-SMRs, which is crucial for assessing and mitigating the corrosion risks to reactor materials, especially for long-term operation. Full article

Silicon carbide has been considered a material for use in the construction of advanced high-temperature nuclear reactors. However, one of the most important design issues for future reactors is the development of structural defects in SiC under a strong irradiation field at high temperatures. To understand how high temperatures affect radiation damage, SiC single crystals were irradiated at room temperature and after being heated to 800 °C with carbon and silicon ions of energies ranging between 0.5 and 21 MeV. The number of displaced atoms and the disorder parameters have been estimated by using the channeling Rutherford backscattering spectrometry. The experimentally determined depth profiles of induced defects at room temperature agree very well with theoretical calculations assuming its proportionality to the electronic and nuclear-stopping power values. On the other hand, a significant reduction in the number of crystal defects was observed for irradiations performed at high temperatures or for samples annealed after irradiation. Additionally, indications of saturation of the crystal defect concentration were observed for higher fluences and the irradiation of previously defected samples. Full article

The titanium-stabilized austenitic stainless steel Fe-15Cr-15Ni, which shows enhanced resistance to irradiation swelling compared with more traditional 316Ti, has been selected as a core material for fast reactors. Data on the evolution of irradiation swelling in 15-15Ti steels at very high doses, which cannot be easily achieved by neutron irradiation, are still lacking. In this paper, the swelling behavior of the titanium-modified austenitic stainless steel 15-15Ti was investigated by pre-implantation of He at room temperature followed by Ni-ion irradiation at 580 °C to peak doses of 120, 240 and 400 dpa. Relatively small cavities were observed in the zone of helium implantation, while large cavities appeared in the region near the damage peak. A correction formula for the dpa curve was proposed and applied to samples with large swelling. It was found that the steady-state swelling rate of 15-15Ti remains at ~1%/dpa even at high doses. By comparing the swelling data of the helium-implanted and helium-free regions at same doses, 70 dpa and 122 dpa, the suppression of swelling by excessive helium can be deduced at such doses. Full article

We report an investigation of catalyst performance for the decomposition of ammonia under industrially relevant conditions (high temperatures of up to 800 °C and an elevated pressure of 5 bar) with further emphasis on their stability at high reaction temperatures. The catalysts were applied and tested as coatings in 500 µm wide channels of microreactors. Nickel-based catalysts were studied and compared to a ruthenium-based catalyst supported on SiO₂. The effect of the support on the catalytic performance was investigated, and CeO₂-supported nickel catalysts were found to exhibit the highest activity. Promoters were applied to increase the NH₃ decomposition activity of the Ni/CeO₂ catalysts. The addition of cesium led to a slight reduction in activity, while lanthanum, calcium, and barium doping resulted in increased activity. In particular, the barium-doped Ni/CeO₂ catalyst showed very high ammonia conversion and closed the activity gap with respect to ruthenium catalysts at reactor temperatures of 650 °C and higher. The hydrogen production rates achieved in this work were compared to values in the literature and were shown to exceed values found earlier for both nickel- and ruthenium-based catalysts. Furthermore, the ruthenium-based catalysts under investigation were rapidly deactivated at 700 °C, while the nickel-based catalysts did not show deactivation after 220 h on time on stream at 700 °C. Full article

Hierarchical Beta zeolites with interconnected intracrystalline mesopores and high structural stability are highly attractive for catalytic applications involving bulky reactants. Here, by introducing a suitable amount of polydiallyldimethylammonium chloride into the initial synthesis system, micron-sized Beta zeolite crystals with abundant hierarchical porosity (Beta-H) were hydrothermally synthesized. The sample named Beta-H_1 exhibited very high catalytic activity and durability for the Friedel–Crafts acylation of anisole with acetic anhydride. A 92% conversion rate of acetic anhydride could be achieved after 1 h of reaction in a fixed bed reactor, and 71% conversion still remained after 10 h, much better than the rate for conventional Beta zeolite (which decreased rapidly from 85% to 37% within 10 h). The enhanced catalytic performance of Beta-H zeolites could be mainly attributed to the relatively lower strong acid density and the faster transport rate of the hierarchical zeolites. In addition, Beta-H showed high structural stability and could be easily regenerated via high-temperature calcination without obvious loss in catalytic activity, demonstrating its great potential for catalytic applications in the industrially important Friedel–Crafts acylation process. Full article

Direct reduction of hematite pellets with hydrogen (H₂) was used to produce directly reduced iron (DRI) in a pilot scale reactor at a pellet feed rate of 21.4 kg/h. At a steady state, operational parameters of the pilot plant (gas recycling rate and inlet temperature) along with key reactor output parameters, the pellet metallization, and the internal temperature profile of the reactor were reported for two scenarios with high recycle and low recycle rate of H₂. Scenario 1, with a high recycle rate of 400 L/min H₂ along with external heating of 870 °C, gave an average metallization of 91.8%, while Scenario 2, with low recycle rate of 100 L/min H₂ and external heating of 850 °C gave a metallization of 67.8% due to the higher moles of H₂ available for reduction and the external energy required for the endothermic reduction reaction in Scenario 1 as compared with Scenario 2. Finite element analysis was used to build a model of the shaft reactor, which was validated against the metallization and internal temperature profile data. The average metallization values predicted by the model were very close to the metallization values obtained from the pilot plant samples, with 90.9% average metallization for Scenario 1 and 65.6% average metallization for Scenario 2. The internal temperature profiles in the lower region of the reactor obtained from the model were very close to these pilot plant data, with a maximum difference of 52.7 °C and 67.6 °C for Scenarios 1 and 2, respectively. The pilot plant reactor model was used extensively in the commissioning of the pilot plant and to predict the startup outcomes for a given set of operating parameters. Full article