The ideal gasoline must have a high pump octane number, in the 86 to 94 range, and a low environmental impact. Alkanes, as a family, have much lower photochemical reactivities than aromatics or olefins, but only the highly branched alkanes have adequate octane numbers. The purpose of this work is to examine the possibilities of extending the technological alternative of paraffin isomerization to heavier feedstocks (i.e., n-heptane) using non-conventional catalytic systems which have been previously proposed in the literature: a Pt/sulfated zirconia catalyst and a molybdenum sub-oxide catalyst. Under the experimental conditions at which these catalysts have been evaluated, the molybdenum sub-oxide catalyst maintains a good activity and selectivity to isomerization after 24 h, while the Pt/sulfated zirconia catalyst shows a higher dimethylpentanes/methylhexanes ratio, probably due to a lower operating temperature, but also a high formation of cracking products, and presents signs of deactivation after 8 h. Though much remains to be done, the performance of these catalysts indicates that there are good perspectives for their industrial application in the isomerization of n-heptane and heavier alkanes.

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 hydrogen produced (H ₂ ) in the Catalytic Naphtha Reforming (CNR) is important in quantity and quality, for the feedback of the process and for supplying the hydrotreatment processes in current refineries. In this work it is presented a study by process simulation using Aspen HYSYS® for finding operative transitional modes that simultaneously improve quality of the reformate and hydrogen production of the CNR. The operative conditions that were studied correspond to the recirculation ratio of hydrogen/hydrocarbon (H ₂ /HC), with values between 2 and 6, and the temperature (T), between 450 and 525 °C, in order to determining the best operative transitional route from the initial operative state to a local improved state, applying the method of superposition of response surfaces and criteria assessment of improvement in quality and quantity of hydrogen produced. A numerical multi-objective operative improvement analysis was performed resulting the objective variables as: Research Octane Number (RON) = 90.72, mass fraction of H ₂ produced (%m of H ₂ ) = 2.9, quality of recycled H ₂ (yH ₂ ) _R = 0.87, and quality of produced hydrogen (yH ₂ ) _S = 0.9653. Experimental pilot plant data and full-scale industrial data were compared with simulations observing significant similitudes.

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.