Thermodynamically Consistent Kinetic Model for the Naphtha Reforming Process
Ministry of Science and Higher Education of the Russian Federation
The work is devoted to development of a kinetic model of the naphtha reforming process based on the previously proposed approach using general rate equations for groups of similar reactions, taking into account the difference in the rates of reactions of individual homologues within these groups by simple correlations with thermodynamic properties (first of all, with values of Gibbs free energy or enthalpy) of individual reactions and other methods of simplification. This approach allows one to build kinetic models that are optimal from the point of view of a trade-off between their accuracy and simplicity. The proposed model of naphtha reforming is characterized by a high degree of detail of the kinetic scheme (64 individual and group reagents and 244 individual reactions) while being quite simple and providing an accurate description of experimental data using only 39 kinetic parameters to be determined from experiments. This model is thermodynamically consistent and provides an accurate description of experimental data over a wide range of process parameters.