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.
20 November 2025 in Chemical Engineering Research and Design
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.