Influence of Pressure and Temperature on the Flexible Behavior of Iron-Based MIL-53 with the CO2 Host: A Comprehensive Experimental and DFT Study.

This research focuses on developing MIL-53-type compounds with Fe obtained with ligands derived from PET waste, followed by the controlled addition of hydrofluoric acid (HF). Incorporating HF into the MOF structure induced substantial changes in the material textural properties, resulting in a significant change in CO2 adsorption. Furthermore, a distinctive structural alteration (breathing effect) was observed in the CO2 isotherms at different temperatures; these structural changes have not been observed by X-ray diffraction (XRD) because this characterization has been performed at room temperature, whereas the adsorption experiments were conducted at 260, 273, and 303 K and different pressures. Subsequently, DFT studies were performed to investigate the CO2-filling mechanisms and elucidate the material respiration effect. This approach offers promising opportunities for sustainable materials with improved gas adsorption properties.

Innovative Method for Coating of Natural Corrosion Inhibitor Based on Artemisia vulgaris.

In this work, the production of a novel methodology for the application of natural corrosion inhibitors on steel, using an autoclave is presented. Tests were carried out using Artemisia vulgaris. The inhibitor was produced with a simple soxhlet extraction process using 15 g of Artemisia vulgaris and 260 mL of Ether. Once the inhibitor was produced, the steel was immersed in it, to form a coating that protects the material against corrosion. Thermogravimetry analyzes (TGA) were performed on the inhibitor, to determine the degradation temperature; it was observed that, at 321 °C, the loss of organic mass begins. After applying the inhibitor to the steel, the Fourier Transform Infrared Spectroscopy (FTIR) technique was used to determine the vibrational bands and the difference between the spectra for the steels before and after the coating was applied. For the evaluation of the method efficiency, Electrochemical Impedance Spectroscopy (EIS) and polarization resistance tests were performed, where Nyquist diagrams and Tafel curves were obtained, for steels with and without treatment. In this case, an increase of 93% in the corrosion resistance, and an 88% decrease in the corrosion rate were observed, proving that this methodology can be used to protect steel against corrosion and extend the steel's useful life.

Analysis of dynamic networks based on the Ising model for the case of study of co-authorship of scientific articles.

Two computational methods based on the Ising model were implemented for studying temporal dynamic in co-authorship networks: an interpretative for real networks and another for simulation via Monte Carlo. The objective of simulation networks is to evaluate if the Ising model describes in similar way the dynamic of the network and of the magnetic system, so that it can be found a generalized explanation to the behaviours observed in real networks. The scientific papers used for building the real networks were acquired from WoS core collection. The variables for each record took into account bibliographic references. The search equation for each network considered specific topics trying to obtain an advanced temporal evolution in terms of the addition of new nodes; that means 3 steps, a time to reach the interest of the scientific community, a gradual increase until reaching a peak and finally, a decreasing trend by losing of novelty. It is possible to conclude that both methods are consistent with each other, showing that the Ising model can predict behaviours such as the number and size of communities (or domains) according to the temporal distribution of new nodes.

Cocaine degradation using a rotating biological disc reactor: Techno-economic and environmental analysis using experimental data.

A bacterial mixed culture that utilizes cocaine as the sole carbon and energy sources was isolated and used in a Rotary Disc Reactor as an alternative method for the final disposal of seized cocaine. This study aimed to compare the performances of cocaine incineration (oven) and biodegradation (Rotary Disc Reactor), considering economic and environmental aspects. There was a 99.4% cocaine removal efficiency when bacterial C1T consortium was grown in a Rotary Disc Reactor for 42 h. The economic analysis allowed determining the high potential of the biotechnological cocaine degradation to be evaluated at higher scales. Indeed, the unit disposition price of the biotechnological degradation pathway was 58% higher than the calculated value for the incineration process considering an initial cocaine concentration of 30 g/L. Moreover, the economic sensitivity analysis demonstrated a price reduction of 20% in the unit disposition price of the biotechnological degradation using a rotary disc reactor. Further, cocaine degradation using a rotary disc reactor system presented a better environmental performance than the incineration process considering atmospheric and toxicological impact categories because of the low release of hazardous materials to the atmosphere.

Synthesis of Oxide Iron Nanoparticles Using Laser Ablation for Possible Hyperthermia Applications.

In this work, iron oxide nanoparticles produced using the laser ablation technique were studied in order to determine the characteristics of these nanoparticles as a function of the laser energy for the possible application in magnetic hyperthermia. Nanoparticles were obtained by varying the power of the laser considering values of 90, 173, 279 and 370 mJ. The morphology of these nanoparticles was determined using the dynamic light scattering (DLS) and scattering transmission electron microscopy (STEM) techniques, confirming that the size of the particles was in the order of nanometers. A great influence of the laser power on the particle size was also observed, caused by the competition between the energy and the temperature. The composition was determined by X-ray diffraction and Raman spectroscopy, showing the presence of magnetite, maghemite and hematite. The hyperthermia measurements showed that the temperature rise of the iron oxide nanoparticles was not greatly influenced by the energy change, the heating capacity of magnetic NPs is quantified by the specific absorption rate (SAR), that tends to decrease with increasing energy, which indicates a dependence of these values on the nanoparticles concentration.

Time-Stability Dispersion of MWCNTs for the Improvement of Mechanical Properties of Portland Cement Specimens.

This study shows the energy optimization and stabilization in the time of solutions composed of H2O + TX-100 + Multi-Wall Carbon Nanotubes (MWCNTs), used to improve the mechanical properties of Portland cement pastes. For developing this research, sonication energies at 90, 190, 290, 340, 390, 440, 490 and 590 J/g are applied to a colloidal substance (MWCNTs/TX-100 + H2O) with a molarity of 10 mM. Raman spectroscopy analyses showed that, for energies greater than 440 J/g, there are ruptures and fragmentation of the MWCNTs; meanwhile at energies below 390 J/g, better dispersions are obtained. The stability of the dispersion over time was evaluated over 13 weeks using UV-vis spectroscopy and Zeta Potential. With the most relevant data collected, sonication energies of 190, 390 and 490 J/g, at 10 mM were selected at the first and the fourth week of storage to obtain Portland cement specimens. Finally, we found an improvement of the mechanical properties of the samples built with Portland cement and solutions stored for one and four weeks; it can be concluded that the MWCNTs improved the hydration period.

Grain boundary anisotropy on nano-polycrystalline magnetic thin films.

Grain boundaries in polycrystalline thin films with crystallite sizes at nanoscale presents regions characterized by a high degree of local structural disorder. As a consequence, great values of the associated local anisotropies are expected. On this regard, a systematic investigation of the effect of the grain boundary anisotropy on the magnetic properties in such type of nanostructured systems is addressed. For developing this work, a standard Monte Carlo simulation in the framework of classical Heisenberg spins was carried out, with a Hamiltonian involving exchange couplings, dipolar interactions, Zeeman interaction and contributions of cubic magneto-crystalline anisotropy. A quantification of local structural disorder was considered. Results revealed that i) by keeping the same number of grains, different organizations give rise to different spontaneous magnetizations, ii) the critical exponent of the magnetization differs of pure models, which is attributed to the complexity of the lattice and consistent with a distribution of critical temperatures, iii) Boundary anisotropy varies with temperature and its strength are determinant factors for blocking temperatures, and iv) Boundary anisotropy inside in the hysteretic properties where coercive field variations are observed.