The conversion of n-hexane into its isomers is highly relevant in the petroleum refining industry due to its contribution to improving gasoline quality by increasing the octane number. This study presents a comparative analysis of eight reaction schemes for the C₆ series isomerization process. It was demonstrated that incorporating rigorous chemical equilibrium information, based on experimental data, yields virtually identical results across all schemes, enabling a detailed analysis. Five schemes were taken from the literature, two were modified to ensure linear independence, and one was proposed in this study under the same criteria. It was confirmed that using linearly independent schemes reduces the number of reactions without affecting model accuracy, facilitating its numerical solution. Each scheme was evaluated using simulations under industrial conditions with a kinetic model that includes 16 reactions. The results show predictions with average errors of 1.44% in reactor outlet temperature and 3.25% in molar flow rates. The kinetic constants for each reaction of the C6 series were generalized, ensuring their invariability regardless of the scheme used, allowing for their application to different schemes and eliminating the need for individualized tuning of the isomerization reactors in the process under study.

Supercapacitors based on mixed metal oxides are being developed as potential devices for large-scale energy storage applications with physical flexibility, thanks to their low cost and good electrochemical performance. This work demonstrates a novel approach to enhancing the electrochemical performance of bismuth–cerium oxide BiCeO₃ (BC) through thiourea doping. The incorporation of sulfur, confirmed by EDS, induced significant structural modifications, including a reduction in crystallite size from 42.5 nm to 34.8 nm and the emergence of new diffraction planes (002) and (222) in XRD patterns. These changes, indicative of successful lattice doping, yielded a more nanostructured morphology with increased active surface area and a 20% reduction in the optical band gap. Electrochemically, the thiourea-doped BiCeO₃ (BCT) electrode delivered a marked improvement, exhibiting a specific capacitance of 150 F·g⁻¹ at 25 mV·s⁻¹, a 17.2% increase over the pure BiCeO₃ (128 F·g⁻¹). Furthermore, BCT demonstrated superior rate capability and a 43% reduction in overall impedance, underscoring enhanced charge transfer kinetics and ionic conductivity. The synergy between sulfur-induced structural defects, increased electroactive surface area, and improved electronic structure establishes thiourea doping as an effective strategy for developing high-performance BiCeO₃-based supercapacitors.

Metal–organic frameworks (MOFs) have emerged as versatile materials for advanced applications due to their exceptional structural diversity, high surface areas, and tunable porosity. Among them, calcium-based MOFs (Ca-MOFs) are attracting significant interest owing to the natural abundance, low cost, and biocompatibility of calcium. In this work, a calcium benzene-1,3,5-tricarboxylate (Ca-BTC) MOF was successfully synthesized and characterized as a multifunctional material. X-ray diffraction confirmed the formation of the crystalline Ca₃(BTC)₂ phase, in agreement with the simulated pattern derived from the reported single-crystal structure. Electron microscopy revealed a nanorod morphology and ordered crystalline regions at the nanoscale, while Raman spectroscopy provided evidence of Ca–O coordination and the characteristic carboxylate bonding of the BTC linker. Under 365 nm excitation, the Ca-BTC MOF exhibited a bluish-white emission with significantly higher intensity than that obtained under 265 nm excitation, together with an average luminescence lifetime of 51.48 ms and a photoluminescence quantum yield of 7.7%. The higher emission intensity under near-UV excitation highlights its potential as a phosphor for pc-WLED applications. The electrochemical performance of Ca-BTC was evaluated in a solid-state supercapacitor (SC) assembled with graphene-based electrodes and a phosphoric acid electrolyte. Electrochemical measurements demonstrated a specific capacitance of 296.5 F g⁻¹ at 25 mV s⁻¹, together with excellent cycling stability, retaining 97.8% of its initial capacitance after 1000 charge–discharge cycles. These findings demonstrate that the Ca-BTC MOF combines a crystalline structure, long-lived bluish-white luminescence, and electrochemical charge-storage properties, making it a promising candidate for optoelectronic and energy-storage applications.