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Catalysts
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Modeling of the Catalytic Cracking
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Modeling of the Catalytic Cracking

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 8446

Special Issue Editors

Dr. Elena N. Ivashkina

E-Mail Website
Guest Editor
National Research Tomsk Polytechnic University, Tomsk, Russia
Interests: catalytic cracking; catalytic reforming; catalyst deactivation; mathematical modeling
Dr. Emiliya D. Ivanchina

E-Mail Website
Guest Editor
National Research Tomsk Polytechnic University, Tomsk, Russia
Interests: destructive recycling processes of vacuum gas oils; predictive modeling of deactivation non-stationary industrial processes of nanostructured catalysts; hydrocracking; hydrotreating

Special Issue Information

Dear Colleagues,

Significant efforts of the scientific community are focused on the development and optimization of processes and catalysts for the processing of heavy petroleum fractions, including catalytic cracking, which provides the production of about a quarter of the world’s gasoline stock. Along with an increase in the demand for motor fuel, the annual increase in demand for propylene is 5–6%; therefore, olefin-containing catalytic cracking gas, which is characterized by a high content of C3 and C4 hydrocarbons (25.1–35.8 and 31.3–38.00 % wt.) is valuable for the petrochemical industry.

At the same time, an increase in the catalytic cracking unit efficiency is complicated by changes in the feedstock composition and catalyst activity under the influence of coke and heavy metals, as well as the conjugation of the reactor and regenerator technological modes. Depending on these factors, the yield of the gasoline fraction is characterized by an extremum, which is associated with an increase in the rates of hydrocarbon cracking reactions, as well as condensation and coke formation reactions at high temperatures. Therefore, an urgent task in the catalytic cracking technology is to increase the yield of gasoline fraction with high octane characteristics and olefin-containing gas. This problem is especially urgent for units integrated with petrochemical plants.

To solve this problem, an integrated approach is required using mathematical models based on considering the thermodynamic, kinetic, and hydrodynamic regularities of the catalytic cracking of high molecular weight hydrocarbons, as well as the regularities of catalyst activity change under conditions of changing feedstock composition.

This Special Issue is devoted to modeling of the catalytic cracking. Reviews and original research papers are invited from experimental methods for studying the process and cracking catalysts, including topics from catalyst deactivation to simulations of industrial plants.

The potential topics include but are not limited to:

  • Analysis of the current state and prospects of the catalytic cracking of petroleum feedstock;
  • Modern technologies for catalytic cracking of crude oil;
  • Modern catalytic compositions for the cracking of high molecular weight petroleum fractions;
  • Modern concepts of the mechanism of hydrocarbon cracking on acid sites of catalysts;
  • Deactivation of zeolite-containing cracking catalysts;
  • Mathematical modeling of the catalytic cracking of petroleum feedstock considering catalyst deactivation;
  • Modeling the process of catalytic cracking of petroleum feedstock based on kinetic schemes;
  • Quantum-chemical modeling of the molecular structure, physicochemical properties, and reactivity of hydrocarbons in the catalytic cracking process;
  • Thermodynamic laws of the catalytic cracking process;
  • CFD modeling of lift reactors;
  • Mathematical modeling of industrial technologies for catalytic cracking;
  • Solution of multicriteria problems using the method of mathematical modeling on a physical and chemical basis taking into account the thermodynamics and kinetics of hydrocarbon reactions on the catalyst surface, as well as the unsteadiness of the processes due to coking, poisoning by harmful impurities in feedstock, and changes in the hydrocarbon composition of the processed feedstock.

Dr. Elena N. Ivashkina
Dr. Emiliya D. Ivanchina
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2200 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • catalytic cracking
  • catalytic cracking reactors
  • catalyst deactivation
  • mathematical modeling
  • predictive modeling
  • deactivation non-stationary industrial processes of nanostructured catalysts
  • hydrocracking
  • hydrotreating
  • dewaxing
  • isomerization
  • alkylation and reforming
  • multi-criteria optimization

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Published Papers (2 papers)

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14 pages, 4004 KiB  
Article
A Model of Catalytic Cracking: Catalyst Deactivation Induced by Feedstock and Process Variables
by Galina Y. Nazarova, Elena N. Ivashkina, Emiliya D. Ivanchina and Maria Y. Mezhova
Catalysts 2022, 12(1), 98; https://doi.org/10.3390/catal12010098 - 14 Jan 2022
Cited by 10 | Viewed by 3048
Abstract
Changes in the quality of the feedstocks generated by involving various petroleum fractions in catalytic cracking significantly affect catalyst deactivation, which stems from coke formed on the catalyst surface. By conducting experimental studies on feedstocks and catalysts, as well as using industrial data, [...] Read more.
Changes in the quality of the feedstocks generated by involving various petroleum fractions in catalytic cracking significantly affect catalyst deactivation, which stems from coke formed on the catalyst surface. By conducting experimental studies on feedstocks and catalysts, as well as using industrial data, we studied how the content of saturates, aromatics and resins (SAR) in feedstock and the main process variables, including temperature, consumptions of the feedstock, catalyst and slops, influence the formation of catalytic coke. We also determined catalyst deactivation patterns using TG-DTA, N2 adsorption and TPD, which were further used as a basis for a kinetic model of catalytic cracking. This model helps predict the changes in reactions rates caused by coke formation and, also, evaluates quantitatively how group characteristics of the feedstock, the catalyst-to-oil ratio and slop flow influence the coke content on the catalyst and the degree of catalyst deactivation. We defined that a total loss of acidity changes from 8.6 to 30.4 wt% for spent catalysts, and this depends on SAR content in feedstock and process variables. The results show that despite enriching the feedstock by saturates, the highest coke yields (4.6–5.2 wt%) may be produced due to the high content of resins (2.1–3.5 wt%). Full article
(This article belongs to the Special Issue Modeling of the Catalytic Cracking)
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17 pages, 4001 KiB  
Article
A Model of Catalytic Cracking: Product Distribution and Catalyst Deactivation Depending on Saturates, Aromatics and Resins Content in Feed
by Galina Y. Nazarova, Elena N. Ivashkina, Emiliya D. Ivanchina, Alexander V. Vosmerikov, Ludmila N. Vosmerikova and Artem V. Antonov
Catalysts 2021, 11(6), 701; https://doi.org/10.3390/catal11060701 - 1 Jun 2021
Cited by 12 | Viewed by 4289
Abstract
The problems of catalyst deactivation and optimization of the mixed feedstock become more relevant when the residues are involved as a catalytic cracking feedstock. Through numerical and experimental studies of catalytic cracking, we optimized the composition of the mixed feedstock in order to [...] Read more.
The problems of catalyst deactivation and optimization of the mixed feedstock become more relevant when the residues are involved as a catalytic cracking feedstock. Through numerical and experimental studies of catalytic cracking, we optimized the composition of the mixed feedstock in order to minimize the catalyst deactivation by coke. A pure vacuum gasoil increases the yields of the wet gas and the gasoline (56.1 and 24.9 wt%). An increase in the ratio of residues up to 50% reduces the gasoline yield due to the catalyst deactivation by 19.9%. However, this provides a rise in the RON of gasoline and the light gasoil yield by 1.9 units and 1.7 wt% Moreover, the ratio of residue may be less than 50%, since the conversion is limited by the regenerator coke burning ability. Full article
(This article belongs to the Special Issue Modeling of the Catalytic Cracking)
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