Molecular-Level Kinetic Model for C12 Continuous Catalytic Reforming

Abstract

A detailed kinetic model for a continuous catalytic reforming (CCR) process was developed. The model included 447 naphtha molecules (C1−C12) that underwent 1469 reactions. Paraffin and naphthenic isomers up to C9 components were fully depicted, whereas aromatic isomers were fully described up to C10. Coking kinetics and the corresponding deactivation of the catalyst were integrated into the model. The steady state kinetic parameters were tuned using pilot plant data for a widely used industrial catalyst. To enable the use of commercial plant data, the energy balance and catalyst moving mechanism of typical CCR reactors were also formulated. The model was then used to simulate an industrial unit loaded with the same catalyst after deactivation calibration by adjusting a few deactivation parameters. The results showed that calculated PONA fractions, individual aromatic species, and the temperature drops of each reactor were in good accord with industrial data.

Reactor Model of Counter-Current Continuous Catalyst-Regenerative Reforming Process toward Real Time Optimization

“…The decrease in the reforming catalyst activity is mainly caused by coke deposition, generated from dehydrogenation condensation of paraffins and condensation of aromatics and naphthenes. , The equation of the initial coke deposition rate is expressed by eq . …”

“…So, more detailed molecular-scale reaction kinetics have been attempted, typically the single-event kinetics. Some studies in this field were carried out by Wei et al in 2008, Sotelo-Boyás and Froment in 2009, Shi in 2011, and Zhou et al in 2018 . These molecular-scale kinetic models of catalytic reforming give a detailed description of the reforming reaction at the molecular level.…”

Catalytic Cracking of Crude Oil: Mini Review of Catalyst Formulations for Enhanced Selectivity to Light Olefins

“…Interestingly, the emergence of petrochemical-based products has created great potentialities in the use of these byproducts, and this has attracted the attention of researchers in the last 2 decades. Consequently, the steam cracking of naphtha was developed as a convenient industrial mechanism of producing light olefins for the petrochemical applications. − Additionally, catalytic reforming of naphtha was adopted for the production of BTX aromatics. − While this is a great milestone in the global petrochemical demand, it is considered as the most consuming energy industrial process characterized with a large CO 2 gas emission. , It also restricted the boom in the petrochemical market to the availability of naphtha, which is a major product of crude oil refining. However, this can be circumvented, thus producing the feedstock of the petrochemical directly from readily available cheap feed, the crude oil, which will save cost and accord the petrochemical market the desired freedom to grow based on the market demand.…”

Optimization of the Countercurrent Continuous Reforming Process Based on Equation-Oriented Modeling and the SQP Algorithm

“…Real-time optimization (RTO) is a technology that optimizes the operating conditions of the process in real time and downloads it to the control layer for automatic execution . The RTO system of the refinery, which is generally based on a strict mechanism model and aims at maximizing economic benefits with scheduling indicators, equipment capacity, product quality, energy consumption, and other requirements as constraints, can achieve hour-level optimization of operation parameters and corresponding automatic execution. , At present, many petrochemical companies have begun to carry out RTO transformation and implementation of the main processing units in refineries, and the top-level architecture of an intelligent refinery is shown in Figure . − On the basis of these models, many other researchers have used RTO in combination with other techniques for modeling and simulation. − …”