Industrial Chemistry Reaction: Kinetics, Mass Transfer and Industrial Reactor Design (II)

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".

Deadline for manuscript submissions: closed (20 March 2023) | Viewed by 32365
Related Special Issue: Industrial Chemistry Reactions: Kinetics, Mass Transfer and Industrial Reactor Design

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CEO Eurochem Engineering LtD ex, University of Naples, 80131 Naples, Italy
Interests: kinetics; catalysis; reactor design and simulation; separation science
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NICL—Department of Chemical Science, University of Naples Federico II, 80126 Naples, Italy
Interests: heterogenous catalysis; biomass transformation; green chemistry kinetics; mass transfer and industrial reactors
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Special Issue Information

Dear Colleagues,

Due to the success of the first edition, in terms of both quantity and quality of the published papers, the editors considered worthful announcing a second edition of The Special Issue “Industrial Chemistry Reactions: Kinetics, Mass Transfer and Industrial Reactor Design.

The impressive progress of commercially available computers allows nowadays to solve complicated mathematical problems in many scientific and technical fields. This revolution invested Chemical Engineering Science in all the comparts. More sophisticated approaches to Catalysis, Kinetics, Reactor Design and Simulation have been developed thanks to the new available powerful calculation methods. It is well known that many chemical reactions of great interest for industrial processes and conducted on a large-scale need information ranging from thermodynamics, kinetics and transport phenomena related to mass, energy and momentum. For a reliable industrial-scale reactor design, all these information must be employed into appropriate equations and mathematical models that allow for accurate and reliable simulations for the scale-up purposes. A challenge is to collect, in a memorable volume, the main advances and trends, in the field of Industrial Chemistry, thank to the contribution of some protagonists of the scientific and technological progress, by reviewing their past activity in the field or giving, through original manuscript, examples of the modern approach to the investigation of Industrial Chemistry Reactions.

Therefore, the aim of this proposed special issue is to collect worldwide contributions from experts in the field of industrial reactors design based on kinetic and mass-transfer studies. In more details the following areas/sections will be covered by the call for reviews and original papers:

  • Kinetic studies for complex reaction schemes (multiphase systems);
  • Kinetics and mass transfer in multifunctional reactors;
  • Reactions in mass-transfer dominated regime (fluid–solid and intraparticle diffusive limitations);
  • Kinetics and mass transfer modeling with alternative approaches (e.g., stochastic modeling);
  • Pilot plant and industrial-size reactor simulation and scale-up based on kinetic studies (lab-to-plant approach).

Prof. Dr. Elio Santacesaria
Prof. Dr. Riccardo Tesser
Prof. Dr. Vincenzo Russo
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 papers will be 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. Processes 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 2000 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 design and simulation
  • kinetics of chemical reactions
  • complex reactions
  • multiphase systems
  • multifunctional reactors
  • transport phenomena

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Published Papers (12 papers)

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Editorial

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6 pages, 1980 KiB  
Editorial
Industrial Chemistry Reactions: Kinetics, Mass Transfer and Industrial Reactor Design (II)
by Elio Santacesaria, Riccardo Tesser and Vincenzo Russo
Processes 2023, 11(7), 1880; https://doi.org/10.3390/pr11071880 - 22 Jun 2023
Viewed by 860
Abstract
Due to the success of the first edition of the Special Issue “Industrial Chemistry Reactions: Kinetics, Mass Transfer and Industrial Reactor Design” in terms of both the quantity and quality of the published papers, we thought it would be prudent to announce a [...] Read more.
Due to the success of the first edition of the Special Issue “Industrial Chemistry Reactions: Kinetics, Mass Transfer and Industrial Reactor Design” in terms of both the quantity and quality of the published papers, we thought it would be prudent to announce a second edition [...] Full article
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Research

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12 pages, 2018 KiB  
Article
Thermal Methane Cracking on Molten Metal: Kinetics Modeling for Pilot Reactor Design
by Emma Palo, Vittoria Cosentino, Gaetano Iaquaniello, Vincenzo Piemonte and Emmanuel Busillo
Processes 2023, 11(5), 1537; https://doi.org/10.3390/pr11051537 - 17 May 2023
Cited by 1 | Viewed by 1722
Abstract
Up to 80% of hydrogen production is currently carried out through CO2 emission-intensive natural gas reforming and coal gasification. Water-splitting electrolysis using renewable energy (green H2) is the only process that does not emit greenhouses gases, but it is a [...] Read more.
Up to 80% of hydrogen production is currently carried out through CO2 emission-intensive natural gas reforming and coal gasification. Water-splitting electrolysis using renewable energy (green H2) is the only process that does not emit greenhouses gases, but it is a quite energy-demanding process. To significantly contribute to the clean energy transition, it is critical that low-carbon hydrogen production routes that can replace current production methods and can expand production capacity to meet new demands are developed. A new path, alternative to steam reforming coupled with CCS (blue H2) that is based on methane cracking, in which H2 production is associated with solid carbon instead of CO2 (turquoise H2), has received increasing attention recent years. The reaction takes place inside the liquid bath, a molten metal reactor. The aim of this article is to model the main kinetic mechanisms involved in the methane cracking reaction with molten metals. The model developed was validated using experimental data produced by the University of La Sapienza. Finally, such a model was used to scale up the reactor architecture. Full article
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14 pages, 5265 KiB  
Article
Study on the Hydrodynamic Performance of a Countercurrent Total Spray Tray under Sloshing Conditions
by Jinliang Tao, Guangwei Zhang, Jiakang Yao, Leiming Wang and Feng Wei
Processes 2023, 11(2), 355; https://doi.org/10.3390/pr11020355 - 22 Jan 2023
Cited by 1 | Viewed by 913
Abstract
In this paper, a new type of total spray tray (TST) with gas–liquid countercurrent contact is proposed to solve the problem of slight operation flexibility and poor sloshing resistance in towers under offshore conditions. Its hydrodynamic performance indicators, such as pressure drop, weeping, [...] Read more.
In this paper, a new type of total spray tray (TST) with gas–liquid countercurrent contact is proposed to solve the problem of slight operation flexibility and poor sloshing resistance in towers under offshore conditions. Its hydrodynamic performance indicators, such as pressure drop, weeping, entrainment, and liquid level unevenness, were experimentally studied under rolling motion. A tower with an inner diameter of 400 mm and tray spacing of 350 mm was installed on a sloshing platform to simulate offshore conditions. The experimental results show that the rolling motion affected the hydrodynamic performance of the tray under experimental conditions. When the rolling amplitude did not exceed 4°, the degree of fluctuation of the hydrodynamic performance was small, and the tray could still work stably. With increasing rolling amplitude, the TST wet plate pressure drop, weeping, and liquid level unevenness fluctuations also increased. When the rolling amplitude reached 7°, the maximum fluctuation of the wet plate pressure drop was 8.9% compared to that in the static state, and the plate hole kinetic energy factor, as the TST reached the lower limit of weeping, increased rapidly from 6.2 at rest to 7.8 under the experimental conditions. It can be seen that the TST still exhibits good hydrodynamic performance under rolling motion. Full article
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24 pages, 6615 KiB  
Article
Effects of S and Mineral Elements (Ca, Al, Si and Fe) on Thermochemical Behaviors of Zn during Co-Pyrolysis of Coal and Waste Tire: A Combined Experimental and Thermodynamic Simulation Study
by Yaxin Lan, Shuangling Jin, Jitong Wang, Xiaorui Wang, Rui Zhang, Licheng Ling and Minglin Jin
Processes 2022, 10(8), 1635; https://doi.org/10.3390/pr10081635 - 18 Aug 2022
Cited by 2 | Viewed by 1347
Abstract
The transformation behaviors of Zn during co-pyrolysis of waste tires and coal were studied in a fixed-bed reaction system. The effects of pyrolysis temperature and the Zn content of coal mixture on the Zn distributions in the pyrolytic products (coke, tar and gas) [...] Read more.
The transformation behaviors of Zn during co-pyrolysis of waste tires and coal were studied in a fixed-bed reaction system. The effects of pyrolysis temperature and the Zn content of coal mixture on the Zn distributions in the pyrolytic products (coke, tar and gas) were investigated in detail. It is found that the relative percentages of Zn in the pyrolytic products are closely related to the contents of S and mineral elements (Ca, Al, Si and Fe) in the coal. The thermodynamic equilibrium simulations conducted using FactSage 8.0 show that S, Al and Si can interact with Zn to inhibit the volatilization of Zn from coke. The reaction sequence with Zn is S > Al > Si, and the thermal stability of products is in the order of ZnS > ZnAl2O4 > Zn2SiO4. These results provide insights into the migration characteristics of Zn during co-pyrolysis of coal and waste tires, which is vital to the prevention and control of Zn emissions to reduce the environmental burden. Full article
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20 pages, 7319 KiB  
Article
Multiphysics Numerical Simulation Model and Hydraulic Model Experiments in the Argon-Stirred Ladle
by Chengjian Hua, Yanping Bao and Min Wang
Processes 2022, 10(8), 1563; https://doi.org/10.3390/pr10081563 - 10 Aug 2022
Cited by 3 | Viewed by 1428
Abstract
The argon-stirred ladle is a standard piece of steelmaking refining equipment. The molten steel quality will improve when a good argon-stirred process is applied. In this paper, a Multiphysics model that contained fluid flow, bubble transport, alloy transport, bubble heat flux, alloy heat [...] Read more.
The argon-stirred ladle is a standard piece of steelmaking refining equipment. The molten steel quality will improve when a good argon-stirred process is applied. In this paper, a Multiphysics model that contained fluid flow, bubble transport, alloy transport, bubble heat flux, alloy heat flux, alloy melting, and an alloy concentration species transport model was established. The fluid model and bubble transport model that were used to calculate the fluid velocity were verified by the hydraulic model of the ladle that was combined with particle image velocimetry measurement results. The numerical simulation results of the temperature fields and steel–slag interface shape were verified by a ladle that contained 25 t of molten steel in a steel plant. The velocity difference between the hydraulic model and numerical model decreased when the CL (integral time-scale constant) increased from 0 to 0.3; then, the difference increased when the CL increased from 0.3 to 0.45. The results showed that a CL of 0.3 approached the experiment results more. The bubble heat flux model was examined by the industrial practice, and the temperature decrease rate was 0.0144 K/s. The simulation results of the temperature decrease rate increased when the initial bubble temperature decreased. When the initial bubble temperature was 800 °C, the numerical simulation results showed that the temperature decrease rate was 0.0147 K/s, and the initial bubble temperature set at 800 °C was more appropriate. The average melting time of the alloy was 12.49 s and 12.71 s, and the mixture time was approximately the same when the alloy was added to two slag eyes individually. The alloy concentration had fewer changes after the alloy was added in the ladle after 100 s. Full article
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24 pages, 4584 KiB  
Article
A Detailed Process and Techno-Economic Analysis of Methanol Synthesis from H2 and CO2 with Intermediate Condensation Steps
by Bruno Lacerda de Oliveira Campos, Kelechi John, Philipp Beeskow, Karla Herrera Delgado, Stephan Pitter, Nicolaus Dahmen and Jörg Sauer
Processes 2022, 10(8), 1535; https://doi.org/10.3390/pr10081535 - 5 Aug 2022
Cited by 13 | Viewed by 9097
Abstract
In order to increase the typically low equilibrium CO2 conversion to methanol using commercially proven technology, the addition of two intermediate condensation units between reaction steps is evaluated in this work. Detailed process simulations with heat integration and techno-economic analyses of methanol [...] Read more.
In order to increase the typically low equilibrium CO2 conversion to methanol using commercially proven technology, the addition of two intermediate condensation units between reaction steps is evaluated in this work. Detailed process simulations with heat integration and techno-economic analyses of methanol synthesis from green H2 and captured CO2 are presented here, comparing the proposed process with condensation steps with the conventional approach. In the new process, a CO2 single-pass conversion of 53.9% was achieved, which is significantly higher than the conversion of the conventional process (28.5%) and its equilibrium conversion (30.4%). Consequently, the total recycle stream flow was halved, which reduced reactant losses in the purge stream and the compression work of the recycle streams, lowering operating costs by 4.8% (61.2 M€·a−1). In spite of the additional number of heat exchangers and flash drums related to the intermediate condensation units, the fixed investment costs of the improved process decreased by 22.7% (94.5 M€). This was a consequence of the increased reaction rates and lower recycle flows, reducing the required size of the main equipment. Therefore, intermediate condensation steps are beneficial for methanol synthesis from H2/CO2, significantly boosting CO2 single-pass conversion, which consequently reduces both the investment and operating costs. Full article
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25 pages, 6256 KiB  
Article
Model-Based Analysis for Ethylene Carbonate Hydrogenation Operation in Industrial-Type Tubular Reactors
by Hai Huang, Chenxi Cao, Yue Wang, Youwei Yang, Jianning Lv and Jing Xu
Processes 2022, 10(4), 688; https://doi.org/10.3390/pr10040688 - 31 Mar 2022
Cited by 1 | Viewed by 2809
Abstract
Hydrogenation of ethylene carbonate (EC) to co-produce methanol (MeOH) and ethylene glycol (EG) offers an atomically economic route for CO2 utilization. Herein, aided with bench and pilot plant data, we established engineering a kinetics model and multiscale reactor models for heterogeneous EC [...] Read more.
Hydrogenation of ethylene carbonate (EC) to co-produce methanol (MeOH) and ethylene glycol (EG) offers an atomically economic route for CO2 utilization. Herein, aided with bench and pilot plant data, we established engineering a kinetics model and multiscale reactor models for heterogeneous EC hydrogenation using representative industrial-type reactors. Model-based analysis indicates that single-stage adiabatic reactors, despite a moderate temperature rise of 12 K, suffer from a narrow operational window delimited by EC condensation at lower temperatures and intense secondary EG hydrogenation at higher temperatures. Boiling water cooled multi-tubular reactors feature near-isothermal operation and exhibit better operability, especially under high pressure and low space velocity. Conduction oil-cooled reactors show U-type axial temperature profiles, rendering even wider operational windows regarding coolant temperatures than the water-cooled reactor. The revelation of operational characteristics of EC hydrogenation under industrial conditions will guide further improvement in reactor design and process optimization. Full article
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19 pages, 2608 KiB  
Article
Modeling and Experimental Studies on Carbon Dioxide Absorption with Sodium Hydroxide Solution in a Rotating Zigzag Bed
by Zhibang Liu, Arash Esmaeili, Hanxiao Zhang, Dan Wang, Yuan Lu and Lei Shao
Processes 2022, 10(3), 614; https://doi.org/10.3390/pr10030614 - 21 Mar 2022
Cited by 3 | Viewed by 2902
Abstract
The enhancement of mass transfer is very important in CO2 absorption, and a rotating zigzag bed (RZB) is a promising device to intensify the gas–liquid mass transfer efficiency. In this study, the mass transfer characteristics in an RZB in relation to the [...] Read more.
The enhancement of mass transfer is very important in CO2 absorption, and a rotating zigzag bed (RZB) is a promising device to intensify the gas–liquid mass transfer efficiency. In this study, the mass transfer characteristics in an RZB in relation to the overall gas-phase volumetric mass-transfer coefficient (KGa) were investigated with a CO2–NaOH system. A mathematical model was established to illustrate the mechanism of the gas–liquid mass transfer with irreversible pseudo-first-order reaction in the RZB. The effects of various operating conditions on KGa were examined. Experimental results show that a rise in the liquid flow rate, inlet gas flow rate, rotational speed, absorbent temperature, and absorbent concentration was conducive to the mass transfer between gas and liquid in the RZB. It was found that the rotational speed had the largest impact on KGa in the RZB. The KGa predicted by the model agreed well with that by the experiments, with deviations generally within 10%. Therefore, this model can be employed to depict the mass transfer process between gas and liquid in an RZB and provide guidance for the application of RZBs in CO2 absorption. Full article
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13 pages, 4031 KiB  
Article
Scaling up the Process of Catalytic Decomposition of Chlorinated Hydrocarbons with the Formation of Carbon Nanostructures
by Chen Wang, Yury I. Bauman, Ilya V. Mishakov, Vladimir O. Stoyanovskii, Ekaterina V. Shelepova and Aleksey A. Vedyagin
Processes 2022, 10(3), 506; https://doi.org/10.3390/pr10030506 - 3 Mar 2022
Cited by 6 | Viewed by 1768
Abstract
Catalytic processing of organochlorine wastes is considered an eco-friendly technology. Moreover, it allows us to obtain a value-added product—nanostructured carbon materials. However, the realization of this process is complicated by the aggressiveness of the reaction medium due to the presence of active chlorine [...] Read more.
Catalytic processing of organochlorine wastes is considered an eco-friendly technology. Moreover, it allows us to obtain a value-added product—nanostructured carbon materials. However, the realization of this process is complicated by the aggressiveness of the reaction medium due to the presence of active chlorine species. The present research is focused on the characteristics of the carbon product obtained over the Ni-Pd catalyst containing 5 wt% of palladium in various quartz reactors: from a lab-scale reactor equipped with McBain balance to scaled-up reactors producing hundreds of grams. 1,2-dichloroethane was used as a model chlorine-substituted organic compound. The characterization of the materials was performed using scanning and transmission electron microscopies, Raman spectroscopy, and low-temperature nitrogen adsorption. Depending on the reactor type, the carbon yield varied from 14.0 to 24.2 g/g(cat). The resulting carbon nanofibers possess a segmented structure with disordered packaging of the graphene layers. It is shown that the carbon deposits are also different in density, structure, and morphology, depending on the type of reactor. Thus, the specific surface area changed from 405 to 262 and 286 m2/g for the products from reactor #1, #2, and #3, correspondingly. The main condition providing the growth of a fluffy carbon product is found to be its ability to grow in any direction. If the reactor walls limit the carbon growing process, the carbon product is represented by very dense fibers that can finally crack the reactor. Full article
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15 pages, 988 KiB  
Article
Study of Static and Dynamic Behavior of a Membrane Reactor for Hydrogen Production
by Rubayyi T. Alqahtani, Abdelhamid Ajbar, Samir Kumar Bhowmik and Rabab Ali Alghamdi
Processes 2021, 9(12), 2275; https://doi.org/10.3390/pr9122275 - 18 Dec 2021
Cited by 3 | Viewed by 2087
Abstract
The paper investigates the stability and bifurcation phenomena that can occur in membrane reactors for the production of hydrogen by ammonia decomposition. A simplified mixed model of the membrane reactor is studied and two expressions of hydrogen permeation are investigated. The effect of [...] Read more.
The paper investigates the stability and bifurcation phenomena that can occur in membrane reactors for the production of hydrogen by ammonia decomposition. A simplified mixed model of the membrane reactor is studied and two expressions of hydrogen permeation are investigated. The effect of the model design and operating parameters on the existence of steady state multiplicity is discussed. In this regard, it is shown that the adsorption-inhibition effect caused by the competitive adsorption of ammonia can lead to the occurrence of multiple steady states in the model. The steady state multiplicity exists for a wide range of feed ammonia concentration and reactor residence time. The effect of the adsorption constant, the membrane surface area and its permeability on the steady state multiplicity is delineated. The analysis also shows that no Hopf bifurcation can occur in the studied model. Full article
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Review

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20 pages, 3996 KiB  
Review
The Perspective of Using the System Ethanol-Ethyl Acetate in a Liquid Organic Hydrogen Carrier (LOHC) Cycle
by Elio Santacesaria, Riccardo Tesser, Sara Fulignati and Anna Maria Raspolli Galletti
Processes 2023, 11(3), 785; https://doi.org/10.3390/pr11030785 - 7 Mar 2023
Cited by 2 | Viewed by 2606
Abstract
Starting from bioethanol it is possible, by using an appropriate catalyst, to produce ethyl acetate in a single reaction step and pure hydrogen as a by-product. Two molecules of hydrogen can be obtained for each molecule of ethyl acetate produced. The mentioned reaction [...] Read more.
Starting from bioethanol it is possible, by using an appropriate catalyst, to produce ethyl acetate in a single reaction step and pure hydrogen as a by-product. Two molecules of hydrogen can be obtained for each molecule of ethyl acetate produced. The mentioned reaction is reversible, therefore, it is possible to hydrogenate ethyl acetate to reobtain ethanol, so closing the chemical cycle of a Liquid Organic Hydrogen Carrier (LOHC) process. In other words, bioethanol can be conveniently used as a hydrogen carrier. Many papers have been published in the literature dealing with both the ethanol dehydrogenation and the ethyl acetate hydrogenation to ethanol so demonstrating the feasibility of this process. In this review all the aspects of the entire LOHC cycle are considered and discussed. We examined in particular: the most convenient catalysts for the two main reactions, the best operative conditions, the kinetics of all the reactions involved in the process, the scaling up of both ethanol dehydrogenation and ethyl acetate hydrogenation from the laboratory to industrial plant, the techno-economic aspects of the process and the perspective for improvements. In particular, the use of bioethanol in a LOHC process has three main advantages: (1) the hydrogen carrier is a renewable resource; (2) ethanol and ethyl acetate are both green products benign for both the environment and human safety; (3) the processes of hydrogenation and dehydrogenation occur in relatively mild operative conditions of temperature and pressure and with high energetic efficiency. The main disadvantage with respect to other more conventional LOHC systems is the relatively low hydrogen storage density. Full article
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20 pages, 3846 KiB  
Review
Research Progress on the Typical Variants of Simulated Moving Bed: From the Established Processes to the Advanced Technologies
by Xiaotong Zhang, Juming Liu, Ajay K. Ray and Yan Li
Processes 2023, 11(2), 508; https://doi.org/10.3390/pr11020508 - 8 Feb 2023
Cited by 4 | Viewed by 2754
Abstract
Simulated moving bed (SMB) chromatography is a highly efficient adsorption-based separation technology with various industrial applications. At present, its application has been successfully extended to the biochemical and pharmaceutical industrial sectors. SMB possesses the advantages of high product purity and yield, large feed [...] Read more.
Simulated moving bed (SMB) chromatography is a highly efficient adsorption-based separation technology with various industrial applications. At present, its application has been successfully extended to the biochemical and pharmaceutical industrial sectors. SMB possesses the advantages of high product purity and yield, large feed treatment capacity, and simple process control due to the continuous operation mode and the efficient separation mechanism, particularly for difficult separation. Moreover, SMB performs well, particularly for multi-component separation or complicated systems’ purification processes in which each component exhibits similar properties and low resolution. With the development of the economy and technology, SMB technology needs to be improved and optimized to enhance its performance and deal with more complex separation tasks. This paper summarizes the typical variants or modifications of the SMB process through three aspects: zone variant, gradient variant, and feed or operation variant. The corresponding modification principles, operating modes, advantages, limitations, and practical application areas of each variant were comprehensively investigated. Finally, the application prospect and development direction were summarized, which could provide valuable recommendations and guidance for future research in the SMB area. Full article
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