A challenge for the oil refinement industry is the production of high-octane gasoline with a low benzene content. This work reports the calculation of the atmospheric benzene emissions generated from gasoline storage, transfer, and transport operations in Mexico, estimating 1.48 KBPD of environmental release. The aim was to estimate the minimum benzene emissions through operative improvements in refineries, initially by performing simulations of the Naphtha Catalytic Reforming (NCR) process using ASPEN HYSYS^® ver. 8.8 (34.0.08909) and then by optimizing the operative conditions to improve the reformate quality while reducing the benzene content. The operative ranges comprised hydrogen/hydrocarbon (H₂/HC) feedstock molar ratios from 2.0 to 6.0 and reaction temperatures from 450 to 525 °C, which were used as independent variables to assess the benzene content and the Research Octane Number (RON) of the produced gasoline. The Surface Response Method (SRM) and multi-objective optimization analysis were applied. The improved operative conditions were 491 °C and a H₂/HC ratio of 2.0, which allowed us to obtain a RON value of 89.87, an aromatics value of 37.39% (v/v), and a benzene value of 1.48% (v/v), with an estimated 16.44% drop in atmospheric benzene emissions, meaning a reduction in greenhouse gas emissions and climate change, thus favorably impacting public health by improving refinery operations. The simulation outcomes were compared with industrial-scale data and the experimental results, with significant similitudes being observed.

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.

Oil refining industry have as a challenge the high-octane gasoline production and its reformulation with low benzene content. This work reports a mass balance of benzene emissions from gasoline vessel transfers and transport operations in Mexico, with an estimated total maximum flowrate of 1.48 KBPD, considering evaporative losses. The aim of this work is to provide an operative proposal for minimizing benzene emissions by developing an ASPEN HYSYS ® simulation study of the Naphtha Catalytic Reforming (NCR) process in its Continuous Catalyst Regeneration (CCR) mode at different operative conditions, in order to estimating transitional operative routes (TOR) that can improve reformate quality at the time benzene content is reduced. Operative conditions comprise a Hydrogen/ Hydrocarbon (H2/HC) ratio from 2.0 to 6.0 and a reaction temperature from 450 to 525 °C as the framework to find the best TOR by applying the Surface Response Method (SRM) Objective variables were assessed by a multi-objective optimization analysis, focusing on 1.48% (v/V), of benzene content, and 89.87 for Research Octane Number (RON) of produced gasoline. Finally, simulation results were compared with experimental data from a NCR pilot plant, in semi-regenerative (SR) mode, as well as with industrial scale data, observing significant similitudes.

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.