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ChemEngineering
Special Issues
Modeling of Chemical Kinetics and Reactor Design
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Modeling of Chemical Kinetics and Reactor Design

A special issue of ChemEngineering (ISSN 2305-7084).

Deadline for manuscript submissions: closed (31 July 2022) | Viewed by 2209

Special Issue Editors

Dr.  Agnes Barkanyi

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Guest Editor
Department of Process Engineering, University of Pannonia, Egyetem street 10, H-8200 Veszprém, Hungary
Interests: process modelling; process simulation; multiphase reactors; Monte Carlo simulation
Dr. Attila Egedy

E-Mail Website
Guest Editor
Department of Process Engineering, University of Pannonia, Egyetem street 10, H-8200 Veszprém, Hungary
Interests: CFD; kinetic modelling; sustainable technology development
Dr. Zsolt Ulbert

E-Mail Website
Guest Editor
Department of Process Engineering, University of Pannonia, Egyetem street 10, H-8200 Veszprém, Hungary
Interests: process modeling; modeling and simulation of gas-solid two-phase flows; modeling and simulation of crystalization processes and crystallizers; calculation fluid dynamic

Special Issue Information

Dear Colleagues,

Chemical reactors are one of the most widely used operation units in the chemical industry and related industries. Many processes such as reactions, heat transfer, component transfer, etc. will affect the operation of the reactors. The dynamic processes inside the chemical reactors are described as a branch of transport phenomena based on the well-known principles of conservation of mass, momentum and energy for each phase. A detailed design of the reactors requires a deep understanding of these processes. Computer-aided modeling and simulation have already proved to be powerful tools to achieve these purposes. The design of the multiphase-flow reactors is particularly challenging. In these systems, the immiscible dispersed phase (e.g., solid particles or liquid droplets) is distributed through a continuous phase and they are typically classified based upon the size of the dispersed phase. The flow in these types of reactors depends on a multitude of effects of properties of both gas, liquid and solid phases and their interactions.

This Special Issue aims to encourage scientists and engineers to publish their experimental and theoretical results in the field of modeling and simulation of chemical reactors. We invite relevant experts and colleagues to contribute papers that can reflect the latest progress in this research field. Communications, full research papers, and review papers are acceptable formats for the submission of manuscripts.

Dr. Agnes Barkanyi
Dr. Attila Egedy
Dr. Zsolt Ulbert
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. ChemEngineering is an international peer-reviewed open access semimonthly 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 1600 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

  • reactor modeling
  • reactor simulation
  • multiphase reactor
  • kinetic modeling

Published Papers (1 paper)

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Research

19 pages, 2331 KiB  
Article
Comparison of the Dynamic and Thermal Behavior of Different Ideal Flow Crystallizers
by László Balogh, Attila Egedy, Zsolt Ulbert and Ágnes Bárkányi
ChemEngineering 2023, 7(2), 21; https://doi.org/10.3390/chemengineering7020021 - 06 Mar 2023
Viewed by 1687
Abstract
In this simulation study, we compare the dynamics and thermal behavior of different ideal flow crystallizers. The first step in creating mathematical models for the crystallizers was the implementation of the population balance equation. The population balance equation was completed with mass balance [...] Read more.
In this simulation study, we compare the dynamics and thermal behavior of different ideal flow crystallizers. The first step in creating mathematical models for the crystallizers was the implementation of the population balance equation. The population balance equation was completed with mass balance equations for the solute and the solvent as well as in the case of non-isothermal crystallizers with an energy balance equation. The solution to the population balance equation, which is a partial differential equation, can only be performed numerically. Using the method of moments, which calculates the moments of the population density function, gives a mathematically simpler model for simulating and analyzing the crystallizers. All crystallizers studied are considered mixed suspension and mixed product crystallizers. In this simulation study, the investigated crystallizers are the batch mixed suspension and mixed product isothermal crystallizer, the batch mixed suspension and mixed product non-isothermal crystallizer, and the continuous mixed suspension and mixed product removal (CMSMPR) non-isothermal crystallizer equipped with a cooling jacket. We consider citric acid as the solid material to be crystallized, and a water–glycol system is used as a cooling medium. Considering the nucleation kinetics, we applied both primary and secondary nucleation. In the case of a crystal growth kinetic, we assumed a size-independent growth rate. The highest expected value and the variance of the crystal product occur in the isotherm batch case, which can be explained by the high crystallization rate caused by the high supersaturation. Contrary to this, in the non-isothermal batch case, the final mean particle size and variance are the lowest. In continuous mode, the variance and mean values are between the values obtained in the two other cases. In this case, the supersaturation is maintained at a constant level in the steady state, and the average residence time of the crystal particles also has an important influence on the crystal size distribution. In the case of non-isothermal crystallization, the simulation studies show that the application of the energy balance provides different dynamics for the crystallizers. The implementation of an energy balances into the mathematical model enables the calculation of the thermal behavior of the crystallizers, enabling the model to be used more widely. Full article
(This article belongs to the Special Issue Modeling of Chemical Kinetics and Reactor Design)
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