Artículos de revista INAMAT2 - INAMAT2 aldizkari artikuluak

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Open Access
Accurate thermal prediction model for building-integrated photovoltaics systems using guided artificial intelligence algorithms
(Elsevier Ltd, 2022) Serrano-Luján, Lucía; Toledo, Carlos; Colmenar, José Manuel; Abad, José; Urbina Yeregui, Antonio; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias
Progress in development of building-integrated photovoltaic systems is still hindered by the complexity of the physics and materials properties of the photovoltaic (PV) modules and its effect on the thermal behavior of the building. This affects not only the energy generation, as its active function and linked to economic feasibility, but also the thermal insulation of the building as part of the structure's skin. Traditional modeling methods currently presents limitations, including the fact that they do not account for material thermal inertia and that the proposed semi-empirical coefficients do not define all types of technologies, mounting configuration, or climatic conditions. This article presents an artificial intelligence-based approach for predicting the temperature of a poly-crystalline silicon PV module based on local outdoor weather conditions (ambient temperature, solar irradiation, relative outdoor humidity and wind speed) and indoor comfort parameters (indoor temperature and indoor relative humidity) as inputs. A combination of two algorithms (Grammatical Evolution and Differential Evolution) guides to the creation of a customized expression based on the Sandia model. Different data-sets for a fully integrated PV system were tested to demonstrate its performance on three different types of days: sunny, cloudy and diffuse, showing relative errors of less than 4% in all cases and including night time. In comparison to Sandia model, this method reduces the error by up to 11% in conditions of variability of sky over short time intervals (cloudy days).
Open Access
Acid-catalyzed etherification of glycerol with tert-butanol: reaction monitoring through a complete identification of the produced alkyl ethers
(MDPI, 2023) Cornejo Ibergallartu, Alfonso; Reyero Zaragoza, Inés; Campo Aranguren, Idoia; Arzamendi Manterola, Gurutze; Gandía Pascual, Luis; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
Higher tert-Butyl glycerol ethers (tBGEs) are interesting glycerol derivatives that can be produced from tert-butyl alcohol (TBA) and glycerol using an acid catalyst. Glycerol tert-butylation is a complex reaction that leads to the formation of five tBGEs (two monoethers, two diethers, and one triether). In order to gain insight into the reaction progress, the present work reports on the monitoring of glycerol etherification with TBA and p-toluensulfonic acid (PTSA) as homogeneous catalysts. Two analytical techniques were used: gas chromatography (GC), which constitutes the benchmark method, and( 1)H nuclear magnetic resonance (H-1 NMR), whose use for this purpose has not been reported to date. A method for the quantitative analysis of tBGEs and glycerol based on H-1 NMR is presented that greatly reduced the analysis time and relative error compared with GC-based methods. The combined use of both techniques allowed for a complete quantitative and qualitative description of the glycerol tert-butylation progress. The set of experimental results collected showed the influence of the catalyst concentration and TBA/glycerol ratio on the etherification reaction and evidenced the intrinsic difficulties of this process to achieve high selectivities and yields to the triether.
Open Access
Acoustic and psychoacoustic levels from an internal combustion engine fueled by hydrogen vs. gasoline
(Elsevier, 2022) Arana Burgui, Miguel; San Martín Murugarren, Ricardo; Urroz Unzueta, José Carlos; Diéguez Elizondo, Pedro; Gandía Pascual, Luis; Zientziak; Ingeniaritza; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias; Ingeniería; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa
Whereas noise generated by road traffic is an important factor in urban pollution, little attention has been paid to this issue in the field of hydrogen-fueled vehicles. The objective of this study is to analyze the influence of the type of fuel (gasoline or hydrogen) on the sound levels produced by a vehicle with an internal combustion engine. A Volkswagen Polo 1.4 vehicle adapted for its bi-fuel hydrogen-gasoline operation has been used. Tests were carried out with the vehicle when stationary to eliminate rolling and aerodynamic noise. Acoustics and psychoacoustics levels were measured both inside and outside the vehicle. A slight increase in the noise level has only been found outside when using hydrogen as fuel, compared to gasoline. The increase is statistically significant, can be quantified between 1.1 and 1.7 dBA and is mainly due to an intensification of the 500 Hz band. Loudness is also higher outside the vehicle (between 2 and 4 sones) when the fuel is hydrogen. Differences in sharpness and roughness values are lower than the just-noticeable difference (JND) values of the parameters. Higher noise levels produced by hydrogen can be attributed to its higher reactivity compared to gasoline.
Open Access
Adsorption recovery of Ag(I) and Au(III) from an electronics industry wastewater on a clay mineral composite
(University of Science and Technology Beijing, 2019) Rakhila, Youness; Elmchaouri, Abdellah; Mestari, Allal; Korili, Sophia A.; Abouri, Meriem; Gil Bravo, Antonio; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias
The aim of this work is to investigate the ability of an adsorbent of a clay mineral composite to remove and recover gold and silver ions from wastewater. The composite was prepared by mixing phosphogypsum (PG), obtained from an industrial waste, and a natural clay mineral. The materials were characterized before and after use in adsorption by several techniques. Batch adsorption experiments were carried out, and the effects of the contact time and the pH and temperature of solution on the removal processes were investigated. The optimum pH for the adsorption was found to be 4. The adsorption of these metal ions reached equilibrium after 2 h of contact. The pseudo-first- and the pseudo-second-order kinetic models, as well as the Freundlich and the Langmuir isotherm equations, were considered to describe the adsorption results. The maximum adsorbed amount of 85 mg·g−1 Ag(I) and 108.3 mg·g−1 Au(III) was found. The recovery of the adsorbed gold and silver ions from the adsorbent was also analyzed. Strong acids appeared to be the best desorption agents to recover gold and silver ions. The use of aqua regia gave regeneration rates close to 95.3% and 94.3% for Ag(I) and Au(III), respectively. Finally, the removal of gold and silver ions from an industrial wastewater was tested in batch experiments, and percentage recoveries of 76.5% and 79.9% for Ag(I) and Au(III), respectively, were obtained. To carry out the industrial application of the proposed methodology, an economic viability study is required.
Open Access
Analog lock-in amplifier design using subsampling for accuracy enhancement in GMI sensor applications
(MDPI, 2023) Algueta-Miguel, Jose M.; Beato López, Juan Jesús; López Martín, Antonio; Ciencias; Zientziak; Institute of Smart Cities - ISC; Institute for Advanced Materials and Mathematics - INAMAT2; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa, PJUPNA2005
A frequency downscaling technique for enhancing the accuracy of analog lock-in amplifier (LIA) architectures in giant magneto-impedance (GMI) sensor applications is presented in this paper. As a proof of concept, the proposed method is applied to two different LIA topologies using, respectively, analog and switching-based multiplication for phase-sensitive detection. Specifically, the operation frequency of both the input and the reference signals of the phase-sensitive detector (PSD) block of the LIA is reduced through a subsampling process using sample-and-hold (SH) circuits. A frequency downscaling from 200 kHz, which is the optimal operating frequency of the employed GMI sensor, to 1 kHz has been performed. In this way, the proposed technique exploits the inherent advantages of analog signal multiplication at low frequencies, while the principle of operation of the PSD remains unaltered. The circuits were assembled using discrete components, and the frequency downscaling proposal was experimentally validated by comparing the measurement accuracy with the equivalent conventional circuits. The experimental results revealed that the error in the signal magnitude measurements was reduced by a factor of 8 in the case of the analog multipliers and by a factor of 21 when a PSD based on switched multipliers was used. The error in-phase detection using a two-phase LIA was also reduced by more than 25%.
Open Access
Analysis of the strain misfit between matrix and inclusions in a magnetically tunable composite
(Elsevier, 2021) Bonifacich, Federico Guillermo; Lambri, Osvaldo Agustín; Lambri, Fernando Daniel; Bozzano, P. B.; Recarte Callado, Vicente; Sánchez-Alarcos Gómez, Vicente; Pérez de Landazábal Berganzo, José Ignacio; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias; Gobierno de Navarra / Nafarroako Gobernua; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa
A magnetically tunable composite has been elaborated by embedding microparticles of a metamagnetic shape memory alloy on a photo curable resin. The strain misfit between the polymeric matrix and the inclusions has been analysed within Eshelby formalism. Results show the non-appearance of active microcracks at the interfaces where strains are induced by the martensitic transformation in the microparticles. Even though the martensitic transformation is well detected, the values of misfit β coefficient indicate that the matrix accommodates all the stresses induced by the inclusions. A stable surface interaction between particles and matrix is also confirmed during thermal cycles. It is also demonstrated that the damping capacity of the composites can be tuned by combining oscillating strain, fillers content and magnetic field. The proposed model could be applied to analyse the mechanical stability in polymer matrix composites in which fillers undergo a first order transition with volume change and associated deformation.
Open Access
Anti-inflammatory and chondroprotective effects induced by phenolic compounds from onion waste extracts in ATDC-5 chondrogenic cell line
(MDPI, 2022) Paesa, Mónica; Ancín Azpilicueta, Carmen; Velderrain-Rodríguez, Gustavo; Martín-Belloso, Olga; Gualillo, Oreste; Osada, Jesús; Rodríguez Yoldi, María Jesús; Mendoza, Gracia; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
Osteoarthritis is a prevalent degenerative condition that is closely related to the destruction and inflammation of cartilage. The high prevalence of this pathology exhorts researchers to search for novel therapeutic approaches. Vegetable–fruit wastes have emerged as a promising origin of anti-inflammatory and antioxidant compounds that, in some cases, may also exert chondroprotective effects. This study aims to decipher the potential of onion waste products in the inhibition of molecular events involved in osteoarthritis. Onion extracts showed a high content of phenolic compounds and antioxidant properties. Cytocompatibility was demonstrated in the chondrogenic cell line ATDC-5, exerting viability percentages higher than 90% and a slight increase in the S phase cycle cell. The induction of inflammation mediated by the lipopolysaccharide and onion extracts’ treatment substantially inhibited molecular markers related to inflammation and cartilage degradation, highlighting the promising application of onion extracts in biomedical approaches. The in silico analyses suggested that the results could be attributed to protocatechuic, ellagic, and vanillic acids’ greater cell membrane permeability. Our work provides distinctive information about the possible application of waste onion extracts as functional components with anti-inflammatory and chondroprotective characteristics in osteoarthritis.
Open Access
Antibacterial performance of Co-Zn ferrite nanoparticles under visible light irradiation
(Wiley, 2024-11-20) Gubieda, Alicia G.; Abad Díaz de Cerio, Ana; García-Prieto, Ana; Fernández-Gubieda, María Luisa; Cervera Gabalda, Laura María; Ordoqui Huesa, Eduardo; Cornejo Ibergallartu, Alfonso; Gómez Polo, Cristina; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
BACKGROUND: To address water scarcity and promote sustainable resource management, more efficient and cost-effective water treatment solutions are necessary. Particularly, pathogens in drinking water are a topic of growing concern. One promising technology is the use of photocatalytic nanoparticles activated by visible light as antibacterial agents. This study focuses on the characterization and antibacterial properties of Co-Zn ferrite nanocatalysts, tested against Escherichia coli. RESULTS: The CoxZn1¿xFe2O4 (x = 0, 0.1, 0.4 and 0.6) ferrites were synthesized by the co-precipitation method. Structural, morphological and optical analyses confirmed that these nanoparticles have a cubic spinel structure, with sizes of around 10 nm, and band gap energies suitable for visible light activation (1.4¿1.7 eV). The antibacterial efficacy of the nanoparticles against E. coli was tested and compared with their photocatalytic performance employing phenol as organic pollutant model (highest phenol degradation for x = 0.6). Specifically, the antibacterial capacity of these nanoparticles was evaluated by comparing the ability of bacteria to grow after being incubated with the nanoparticles under visible light and in the dark. It was found that nanoparticles with lower cobalt content (x = 0 and 0.1) significantly reduced bacterial culturability under visible light. Transmission Electron Microscopy analysis revealed that nanoparticles with cobalt content caused bacteria to secrete biofilm, potentially offering some protection against the nanoparticles. CONCLUSION: ZnFe2O4 nanoparticles show the highest antibacterial effect amongst those tested. This is attributed to the combined action of Zn2+ ion release and the photocatalytic effect under visible light. Furthermore, Zn might inhibit protective biofilm secretion, leading to higher antibacterial effects.
Open Access
Antioxidant properties of bioactive compounds in fruit and vegetable waste
(MDPI, 2023) Jiménez Moreno, Nerea; Esparza Catalán, Irene; Ancín Azpilicueta, Carmen; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
In recent years, great interest has arisen in the study of compounds with antioxidant activity present in agri-food residues. The growing demand from consumers for antioxidants of natural origin, the continuous growth in the world population and the consequent increase in the amount of food residues generated have greatly promoted this field of research. The search for new uses and applications for all this waste has become a mandatory objective within the framework of global environmental management. But, in addition, it offers a promising opportunity to study the great diversity of bioactive compounds that exist in nature and to analyze their biological activity and the associated health benefits. Among agri-food waste, fruit and vegetable by-products constitute a truly abundant and affordable source of natural antioxidants, such as phenolic compounds. These antioxidant phytochemicals are of great interest for different economic sectors, such as food, pharmaceutical and nutraceutical, the latter having seen an exponential development in recent years.
Open Access
Antiviral potential and chemical composition of wild Baccharis crispa Spreng: populations (Asteraceae) from Córdoba, Argentina: perspective on population variability
(MDPI, 2024-11-01) Lingua, Giuliana; Chaves, Ana Guadalupe; Aguilar, Juan Javier; Martínez, Florencia; Gómez, Tomás Isaac; Rucci, Kevin Alen; Torres, Lorena E.; Ancín Azpilicueta, Carmen; Esparza Catalán, Irene; Jiménez Moreno, Nerea; Contigiani, Marta; Núñez Montoya, Susana; Konigheim, Brenda S. ; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa
Medicinal plants have been explored worldwide as potential alternatives for the prevention and treatment of different diseases, including viral infections. Baccharis crispa Spreng. (Asteraceae) is a native medicinal species widely used in South America. Given the influence of genetic and environmental factors on secondary metabolites biosynthesis and accumulation, this study aimed to evaluate the in vitro antiviral activity of four wild populations of B. crispa from Córdoba, Argentina, and assess the variability in their bioactivity and chemical composition. The cytotoxicity of chloroform, ethanol, and aqueous extracts from aerial parts was evaluated by the neutral red uptake method. Antiviral and virucidal activity against herpes simplex virus type 1 (HSV-1) and chikungunya virus (CHIKV) were assessed via plaque-forming unit (PFU) reduction assay. Phytochemical analyses of the extracts were conducted using HPLC-ESI- MS/MS. The Puesto Pedernera population showed the strongest antiviral activity, with inhibition rates of 82% for CHIKV and 79% against HSV-1, as well as potent virucidal effects, reducing PFU formation by up to 5 logarithms for both viruses. Remarkably, ethanol extract exhibited the least toxicity and strongest inhibitory activity. Villa del Parque population was inactive. We identified 38 secondary metabolites, predominantly phenolic acids (12) and flavonoids (18), in varying proportions. Delphinidin and delphinidin-3-glucoside are described for the first time in the species. Differences in phytochemical profiles were observed among extract types and populations. Key phenolic compounds showed moderate positive correlations with the evaluated bioactivities, emphasizing the complexity of phytochemical properties and interactions. These results highlight the therapeutic potential of B. crispa extracts against viral infections and underscore the importance of considering the geographical source of plant material in bioactivity evaluations.
Open Access
Application of a modeling tool to describe fly ash generation, composition, and melting behavior in a wheat straw fired commercial power plant
(MDPI, 2020) Funcia, Ibai; Bimbela Serrano, Fernando; Gil, Javier; Gandía Pascual, Luis; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa
Ash behavior is a key operational aspect of industrial-scale power generation by means of biomass combustion. In this work, FactSage™ 6.4 software was used to develop and assess three models of wheat straw combustion in a vibrating grate-fired commercial boiler of 16 MWth, aiming to describe the inorganic elements release as well as fly ash melting behavior and composition. Simulations were carried out solving four consecutive calculation stages corresponding to the main plant sections. Chemical fractionation was adopted in order to distinguish between reactive, inert and partially reactive biomass fractions. The developed models allow take into account different levels of partial reactivity, values of the temperature for each sub-stage on the grate, and ways to apply entrained streams based on data from the elemental analyses of the fly ashes. To this end, two one-week experimental campaigns were conducted in the plant to carry out the sampling. It has been found that considering chemical fractionation is indispensable to describe the entrainment of solid particles in the gas stream. In addition, the best results are obtained by adopting a small reactivity (2%) of the inert fraction. As for fly ash composition, the concentrations of the major elements showed good agreement with the results from the chemical analyses. In the case of S and Cl, calculations revealed a match with gas cooling effects in the superheaters as well as an entrainment effect. The melting behavior together with the presence of KCl and K2SO4 condensates, point out at possible corrosion phenomena in walls at temperatures of 700–750 °C.
Open Access
Assessing thermal and nonthermal contributions during CO2 hydrogenation over ruthenium catalysts: effects of the illumination conditions and the nature of the support
(Elsevier, 2024-12-05) Imizcoz Aramburu, Mikel; Pellejero, Ismael; Gandía Pascual, Luis; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa; Gobierno de Navarra / Nafarroako Gobernua
Photothermal catalysis offers a promising approach for the clean production of carbon-neutral chemicals from CO2 through reactions with hydrogen as a renewable energy carrier. While the combined action of photons and heat from solar radiation can drive catalytic reactions, the interactions involved are very complex, depend on the catalyst composition, and often remain uncertain. Herein, we assessed the thermal and nonthermal contributions to the overall activities of a series of Ru catalysts during the photothermal hydrogenation of CO2. TiO2 (anatase/rutile mixture), anatase, ZrO2, CeO2, and SiO2 were used as supports for Ru nanoparticles (2 wt%) that were deposited using an amino-acid-assisted method. Ru@TiO2 and Ru@ZrO2 presented the best catalytic performance at relatively low reaction temperatures (220-250 °C), whereas Ru@CeO2 was the most active catalyst above 300 °C. The catalysts were tested under direct and indirect illumination conditions to assess their thermal and nonthermal contributions to the overall production of methane, with a nonthermal contribution of 60-75 % observed at the highest applied irradiance (2.2 W·cm-²). Ru@ZrO2 registered the highest nonthermal CH4 production, which is tentatively ascribable to the participation of photo-generated electrons in the catalytic reaction and the light-induced formation of oxygen vacancies. The selected catalysts were also tested under concentrated-sunlight conditions in outdoor experiments, with a maximum methane production of 200 mmolCH4·gcat-¹·h-¹ achieved over Ru@ZrO2, which resulted in 31 % CO2 conversion and 92 % selectivity for methane in a continuous flow reactor at a space velocity of 1500 mLSTP·g-¹·min-¹.
Open Access
Bio-oil fractionation according to polarity and molecular size: characterization and application as antioxidants
(American Chemical Society, 2024-12-21) Fonts, Isabel; Lázaro, Cristina; Cornejo Ibergallartu, Alfonso; Sánchez, José Luis; Afailal, Zainab; Gil-Lalaguna, Noemí; Arauzo, Jesús María; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Gobierno de Navarra / Nafarroako Gobernua
Bio-oil obtained from biomass pyrolysis has great potential for several applications after being upgraded and refined. This study established a method for separating bio-oil into different fractions based on polarity and molecular size to extract phenolic and polyphenolic compounds with antioxidant properties. The fractions were analyzed using various spectroscopic and chromatographic techniques, such as GC/MS, FTIR, UV-vis, SEC, DOSY-NMR, 13C-NMR, and 31P-NMR. The antioxidant properties of these fractions were tested by examining their ability to improve the oxidative stability of biodiesel. The results strongly connected the bio-oil's chemical functionalities and antioxidant power. During solvent fractionation, dichloromethane could extract phenolic structures, which were subsequently size-fractionated. The subfractions with lower molecular weight (in the order of monomers and dimers) outperformed the antioxidant potential of the crude bio-oil. Heavier subfractions from dichloromethane extraction did not show good antioxidant abilities, which was related to the low hydroxy group content. After solvent extraction, phenolic oligomers remained in the water-insoluble/dichloromethane-insoluble fraction, which showed good antioxidant potential despite its low solubility in biodiesel.
Open Access
Biological solubilisation of leather industry waste in anaerobic conditions: effect of chromium (III) presence, pre-treatments and temperature strategies
(MDPI, 2022) Fernández Rodríguez, Juana; Lorea Revilla, Beñat; González Gaitano, Gustavo; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
Collagen-based polymers and their blends have attracted considerable interest for new materials development due to their unique combination of biocompatibility, physical and mechanical properties and durability. Leather, a modified natural biopolymer made from animal rawhide and the first synthetic collagen-based polymer known since the dawn of civilization, combines all these features. Rawhide is transformed into leather by tanning, a process in which the collagen is crosslinked with different agents to make it stronger and more durable and to prevent its decay. Research on the development of environmentally friendly procedures and sustainable materials with higher efficiency and lower costs is a rapidly growing field, and leather industry is not an exemption. Chrome-tanned and vegetable-tanned (chromium-free) shavings from the leather industry present a high content of organic matter, yet they are considered recalcitrant waste to be degraded by microbiological processes like anaerobic digestion (AD), a solid technology to treat organic waste in a circular economy framework. In this technology however, the solubilisation of organic solid substrates is a significant challenge to improving the efficiency of the process. In this context, we have investigated the process of microbial decomposition of leather wastes from the tannery industry to search for the conditions that produce optimal solubilisation of organic matter. Chrome-tanned and chromium-free leather shavings were pre-treated and anaerobically digested under different temperature ranges (thermophilic–55 ◦C-, intermediate–42 ◦C- and mesophilic–35 ◦C) to evaluate the effect on the solubilisation of the organic matter of the wastes. The results showed that the presence of chromium significantly inhibited the solubilization (up to 60%) in the mesophilic and intermediate ranges; this is the fastest and most efficient solubilization reached under thermophilic conditions using the chromium-free leather shaving as substrates. The most suitable temperature for the solubilization was the thermophilic regime (55 ◦C) for both chromium-free and chrometanned shavings. No significant differences were observed in the thermophilic anaerobic digestion of chromium-free shavings when a pre-treatment was applied, since the solubilisation was already high without pre-treatment. However, the pre-treatments significantly improved the solubilisation in the mesophilic and intermediate configurations; the former pre-treatment was better suited in terms of performance and cost-effectiveness compared to the thermophilic range. Thus, the solubilisation of chromium-free tannery solid wastes can be significantly improved by applying appropriate pretreatments at lower temperature ranges; this is of utter importance when optimizing anaerobic processes of recalcitrant organic wastes, with the added benefit of substantial energy savings in the scaling up of the process in an optimised circular economy scenario.
Embargo
Boosting Li-S batteries through the synergistic effect of recycled ferrites and external magnetic induction
(Elsevier, 2024-11-20) Bonilla, Álvaro; Jiménez Blasco, Uxua; Gómez-Cámer, Juan Luis; Garayo Urabayen, Eneko; Pérez de Landazábal Berganzo, José Ignacio; Caballero, Álvaro; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Gobierno de Navarra / Nafarroako Gobernua, PC003-04 3D-MAGNET
Despite being considered one of the most promising energy storage technologies, lithium-sulfur batteries (LSBs) are limited in terms of commercialization by the shuttle effect and slow reaction kinetics. In this work, we demonstrate for the first time that the use of recycled ferrite in conjunction with an external magnetic field generated by a permanent magnet can enhance the reaction kinetics and the adsorption of polysulfides (LiPSs), and hence the electrochemical stability. An in-depth kinetic study shows that under the effect of an external magnetic field, the electrode has lower polarization, a higher Li+ diffusion coefficient and a lower activation energy between electrochemical stages. The electrode also has a capacity retention up to 40 % higher and half the capacity loss per cycle at a high rate of 1C. At an ultra-high rate of 10C, the electrode has a capacity of 507 mAh g−1 after 150 cycles and an areal capacity of up to 3 mAh cm−2 at an ultra-high loading of 13 mg cm−2. In addition to the promising results observed in electrochemical terms, our approach is also more sustainable due to the use of a recycled electronic material obtained via dry milling, thereby avoiding the use of fossil carbons.
Open Access
Calibrating lower-middle Miocene mammal faunas and unravelling climate change during the Miocene Climate Optimum: the Bardenas Reales de Navarra record (Ebro basin, NE Iberian Peninsula)
(Springer, 2024-10-22) Larrasoaña, Juan Cruz; Suárez-Hernando, Oier; Beamud, Elisabet; Garcés, Miguel; Pérez de Landazábal Berganzo, José Ignacio; Gómez Polo, Cristina; Ruiz-Sánchez, Francisco Javier; Mata, María Pilar; Murelaga, Xabier; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
The chronology of lower Miocene Iberian small mammal faunas is still poorly constrained given the scarcity of well dated sedimentary successions including small mammal fossil localities. Such scarcity has prevented also an accurate understanding of the response of European terrestrial ecosystem to global changes across the Miocene climate optimum (MCO), one of the best analogues of present-day global warming. Here we present an updated fossil small mammal record of the Bardenas Reales de Navarra (western Ebro basin, Spain), where an expanded lower to middle Miocene continental succession is superbly exposed. Previous and new magnetostratigraphic results from this succession have enabled us to propose, along with additional magnetostratigraphically-dated Iberian faunas, a new chronology for local zones Y to D (Mammal Neogene zones MN2 to MN5). In addition to that, the studied small mammal faunas point to a gradual increase in temperature and humidity conditions in SW Europe between 20 and 15.5 Ma, which appears to be coupled with the progressive shift towards warmer regional (Atlantic) and global conditions across the MCO, thereby pointing to gradual changes in oceanic circulation as the main driver of this period of global warmth. The evolution of sedimentary facies appears to indicate a threshold response of the Ebro basin hydrological balance to the MCO, whereas pedogenic formation of magnetic minerals seems to be linked to periods of enhanced climate variability. These results highlight the need of combining different paleoenvironmental indicators in order to obtain a reliable view of the response of continental ecosystems to global warming.
Open Access
CASPT2 study of the electronic structure and photochemistry of protonated N-nitrosodimethylamine (NDMA-H+) at 453 nm
(American Institute of Physics, 2023) Soto, Juan; Peláez, Daniel; Algarra González, Manuel; Ciencias; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2
In this work, we have studied the photodissociation of the protonated derivatives of N-nitrosodimethylamine [(CH3)2N–NO] with the CASPT2 method. It is found that only one of the four possible protonated species of the dialkylnitrosamine compound absorbs in the visible region at 453 nm, that is, N-nitrosoammonium ion [(CH3)2NH-NO]+ . This species is also the only one whose first singlet excited state is dissociative to directly yield the aminium radical cation [(CH3)2NHN⋅] + and nitric oxide. In addition, we have studied the intramolecular proton migration reaction {[(CH3)2N–NOH] + → [(CH3)2NH–NO]+ } both in the ground and excited state (ESIPT/GSIPT); our results indicate that this process is not accessible neither in the ground nor in the first excited state. Furthermore, as a first approximation, MP2/HF calculations on the nitrosamine–acid complex indicate that in acidic solutions of aprotic solvents, only [(CH3)2NH–NO]+ is formed.
Open Access
Catalytic performance of bulk and Al₂O₃-supported molybdenum oxide for the production of biodiesel from oil with high free fatty acids content
(MDPI, 2020) Navajas León, Alberto; Reyero Zaragoza, Inés; Jiménez Barrera, Elena; Romero Sarria, Francisca; Llorca Piqué, Jordi; Gandía Pascual, Luis; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias
Non-edible vegetable oils are characterized by high contents of free fatty acids (FFAs) that prevent from using the conventional basic catalysts for the production of biodiesel. In this work, solid acid catalysts are used for the simultaneous esterification and transesterification with methanol of the FFAs and triglycerides contained in sunflower oil acidified with oleic acid. Molybdenum oxide (MoO₃), which has been seldom considered as a catalyst for the production of biodiesel, was used in bulk and alumina-supported forms. Results showed that bulk MoO3 is very active for both transesterification and esterification reactions, but it suffered from severe molybdenum leaching in the reaction medium. When supported on Al₂O₃, the MoO₃ performance improved in terms of active phase utilization and stability though molybdenum leaching remained significant. The improvement of catalytic performance was ascribed to the establishment of MoO₃Al₂O₃ interactions that favored the anchorage of molybdenum to the support and the formation of new strong acidic centers, although this effect was offset by a decrease of specific surface area. It is concluded that the development of stable catalysts based on MoO₃ offers an attractive route for the valorization of oils with high FFAs content.
Open Access
Catalytic photodegradation of organic compounds using TiO2/pillared clays synthesized using a nonconventional aluminum source
(Elsevier, 2022-10-15) Cardona Rodríguez, Yaneth; Wegrzyn, Agnieszka; Miskowiec, Pawel; Korili, Sophia A.; Gil Bravo, Antonio; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias; Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa
This study evaluates the photocatalytic degradation of 2,6-dichlorophenol (2,6-DCP), triclosan (TCS) and bisphenol A (BPA) by ultraviolet (UV) and visible (VIS) light in the presence of TiO2/catalysts synthesized by wet impregnation followed by calcination. The catalyst supports used were three alumina pillared clays (Al-PILC) synthesized using various aluminum sources and montmorillonite (Mt) as raw material. One of the Al-PILC was prepared following the conventional method (Al-PILCCM), using a commercial aluminum salt, and the other two were synthesized using a saline slag, with the aluminum used being extracted with the alkaline (Al-PILCBE) or the acid (Al-PILCAE) method. Mt was impregnated with various amounts of titanium (1, 5, 10, and 20 wt% Ti) and evaluated for the photodegradation of the aforementioned pollutants, comparing the results with those obtained using commercial anatase. Due to the higher conversion rates, 10 and 20 wt% Ti were chosen to impregnate the Al-PILC and to evaluate the photocatalytic performance. All materials were characterized by several techniques, which confirmed the successful formation of TiO2 in the anatase phase. In all cases, photodegradation was higher when using UV light and the most photodegraded pollutant was TCS (85.15 ± 0.49%), followed by 2,6-DCP (65.43 ± 0.79%) and, to a lesser degree, BPA (36.15 ± 0.65%). Al-PILC showed higher photodegradation percentages, with Al-PILCAE exhibiting the highest values for both types of light. An analysis of the photoproducts by HPLC-MS suggested that the preferred pathway for TCS and 2,6-DCP photodegradation depends on the type of light used.
Open Access
Catalytic valorization of CO2 by hydrogenation: current status and future trends
(Taylor and Francis, 2021) Sancho Sanz, Iris; Korili, Sophia A.; Gil Bravo, Antonio; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias
Terrestrial environmental and biological systems are being threatened by the tremendous amount of human carbon dioxide emissions. Therefore, it is crucial to develop a sustainable energy system based on CO2 as chemical feedstock. In this review, an introduction to the CO2 activation and transformation has been made, together with a more comprehensive study of the catalytical reduction of CO2 to methane, methanol, and formic acid, which are currently contemplated as chemical feedstocks and/or promising energy carriers and alternative fuels.