Abstract
Abstract An approach to modelling of non-stationary catalytic processes of oil refining and petrochemistry is proposed. The computer modelling systems under development take into account the physical and chemical reaction laws, raw materials composition, and catalyst nature. This allows using the software for the optimization of process conditions and equipment design. The models created can be applied for solving complex problems of chemical reactors design; calculation of different variants of industrial plants reconstruction; refining and petrochemicals catalysts selection and testing; catalyst service life prolongation; determination of optimum water supply into the alkanes dehydrogenation reactor; optimization of products separation in the benzene alkylation process.
Highlights
The majority of industrial reactors and technological schemes for thermal and catalytic processes of petroleum and gas refining were designed and built in the middle of the 20th century
This article describes an innovative approach to mathematical modeling and optimization of the non-stationary catalytic processes in oil refining and petrochemistry
Mathematical models for a number of crude oil refining industrial processes were developed on the basis of the proposed approach
Summary
The majority of industrial reactors and technological schemes for thermal and catalytic processes of petroleum and gas refining were designed and built in the middle of the 20th century. Formalization of higher alkanes dehydrogenation process mechanism during its simulation The transformation of 7 groups of hydrocarbons in 8 types of chemical reactions was examined[7] to propose the formalized scheme of hydrocarbons conversion on Pt-catalysts surface, which allowed solving important technological problems associated with the selection of industrial unit reconstruction options during the transition to a double-reactor scheme of operation. The method for calculating the optimal dynamics of water supply into the dehydrogenation reactor was developed and implemented To this end, further studies on the mechanism and kinetics of dehydration process were carried out, which ensured a more precise definition of the reaction network. Further studies on the mechanism and kinetics of dehydration process were carried out, which ensured a more precise definition of the reaction network This stage of simulation required the application of quantum-chemical calculation methods for obtaining the thermodynamic parameters of reactions involving hydrocarbons C9–C14. The result showed that 11 groups of pseudo components were involved in 22 types of chemical reactions (Fig. 1)
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