Transitional analysis for multi-objective operative improvement of reformate quality and hydrogen production from a naphtha catalytic reforming process.

The hydrogen produced ( ) 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 ® 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 ( ), with values between 2 and 6, and the temperature (), 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.

Computer Simulation of Three-Phase Equilibria for Some Water/-Alkane Binary Systems.

In this work, the vapor-liquid-liquid equilibrium (VLLE) of the water/-pentane, water/-hexane, water/-octane, and water/-decane binary systems is calculated by computer simulation using the NVT-Gibbs ensemble (in the version of three simulation boxes) combined with the configurational bias Monte Carlo method. The combination of both methods, the molecular potential models used, and the simulation details allowed us to calculate the triphasic equilibrium properties of the systems studied: the densities of the three phases in equilibrium, their compositions, and potential energies. In previous works, these simulations were not carried out at a temperature range nor water/-alkanes systems simulated in this work, probably because they are highly nonideal systems; so, to the best of our knowledge, this is the first time that this phenomenon is studied in detail.