Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
5.1
2.8
Journals
Processes
Special Issues
Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical...
share announcement

Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes

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

Deadline for manuscript submissions: 31 May 2025 | Viewed by 3748

Special Issue Editor

Dr. Guozhao Ji

E-Mail Website
Guest Editor
School of Environmental Science and Technology, Dalian University of Technology, Dalian, China
Interests: thermochemical conversion of solid waste; thermochemical conversion process simulation calculations; Computational Fluid Dynamics (CFD) simulations; carbon dioxide capture technology; inorganic membrane separation technology
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue of Processes aims to highlight recent advances in computational fluid dynamics (CFD) simulation of thermal–chemical processes. The CFD simulation of thermal chemical processes has become a powerful tool for understanding and optimizing complex chemical reactions, heat transfer, and mass transport phenomena. This Special Issue seeks to bring together cutting-edge research and innovative applications in this field, focusing on the development and validation of novel numerical methods, algorithms, and CFD software applications. We invite contributions that showcase the use of CFD simulations to study a wide range of thermal–chemical processes, including but not limited to combustion, pyrolysis, gasification, torrefaction, catalysis, and electrochemistry, among others. The Special Issue will also explore the integration of CFD simulations with experimental techniques and machine learning approaches to improve the accuracy and efficiency of process modeling and optimization. The goal of this Special Issue is to provide a comprehensive overview of the latest advances in CFD simulation of thermal–chemical processes and to foster a deeper understanding of their potential applications in various industries, including energy, environment, and manufacturing.

Dr. Guozhao Ji
Guest Editor

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. 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 2400 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

  • CFD
  • thermal reactions
  • chemical reactions
  • heat and mass transfer
  • multiphase flow
  • multiscale coupling

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (5 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

25 pages, 6535 KiB  
Article
ANN-Based Prediction and RSM Optimization of Radiative Heat Transfer in Couple Stress Nanofluids with Thermodiffusion Effects
by Reima Daher Alsemiry, Sameh E. Ahmed, Mohamed R. Eid and Essam M. Elsaid
Processes 2025, 13(4), 1055; https://doi.org/10.3390/pr13041055 - 1 Apr 2025
Viewed by 254
Abstract
This research investigates the impact of second-order slip conditions, Stefan flow, and convective boundary constraints on the stagnation-point flow of couple stress nanofluids over a solid sphere. The nanofluid density is expressed as a nonlinear function of temperature, while the diffusion-thermo effect, chemical [...] Read more.
This research investigates the impact of second-order slip conditions, Stefan flow, and convective boundary constraints on the stagnation-point flow of couple stress nanofluids over a solid sphere. The nanofluid density is expressed as a nonlinear function of temperature, while the diffusion-thermo effect, chemical reaction, and thermal radiation are incorporated through linear models. The governing equations are transformed using appropriate non-similar transformations and solved numerically via the finite difference method (FDM). Key physical parameters, including the heat transfer rate, are analyzed in relation to the Dufour number, velocity, and slip parameters using an artificial neural network (ANN) framework. Furthermore, response surface methodology (RSM) is employed to optimize skin friction, heat transfer, and mass transfer by considering the influence of radiation, thermal slip, and chemical reaction rate. Results indicate that velocity slip enhances flow behavior while reducing temperature and concentration distributions. Additionally, an increase in the Dufour number leads to higher temperature profiles, ultimately lowering the overall heat transfer rate. The ANN-based predictive model exhibits high accuracy with minimal errors, offering a robust tool for analyzing and optimizing the thermal and transport characteristics of couple stress nanofluids. Full article
(This article belongs to the Special Issue Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes)
►▼ Show Figures

Figure 1

18 pages, 8593 KiB  
Article
Experimental and Numerical Study on the Combustion and Emission Characteristics of Diesel and Ammonia in Dual Direct Injection Mode in an RCEM
by Dongsheng She, Jiangping Tian, Qingxing Zhou and Xiaolei Zhang
Processes 2025, 13(3), 751; https://doi.org/10.3390/pr13030751 - 5 Mar 2025
Viewed by 604
Abstract
Nowadays, the use of ammonia as a green fuel for internal combustion engines has attracted wide attention. The diesel/ammonia dual direct injection mode has shown great potential, but there is still a lack of basic research on injection strategies for this mode. In [...] Read more.
Nowadays, the use of ammonia as a green fuel for internal combustion engines has attracted wide attention. The diesel/ammonia dual direct injection mode has shown great potential, but there is still a lack of basic research on injection strategies for this mode. In this study, the combustion and emission characteristics of diesel/ammonia dual direct injection mode were investigated using a rapid compression and expansion machine (RCEM) combined with CONVERGE software_v3.0. The research focuses on the effects of two injection strategies, including ammonia injection pressure, the ammonia injector nozzle hole diameter, and the compression ratio. The results indicate that minor increases in ammonia injection pressure have negligible impacts on emissions with the same nozzle hole diameter. Increasing the nozzle hole diameter significantly reduces unburned ammonia emissions while increasing HC and N2O emissions. Increasing the compression ratio enhances diesel combustion but does not significantly affect ammonia combustion. Considering the ammonia energy substitution rate and the combustion performance of the actual engine, a high ammonia injection pressure and compression ratio are necessary for engine applications, while an appropriate ammonia orifice diameter is required to meet the emission performance. Full article
(This article belongs to the Special Issue Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes)
►▼ Show Figures

Figure 1

29 pages, 12399 KiB  
Article
Three-Dimensional Computational Fluid Dynamics-Based Improvements in Radial Turbine Design for Enhanced Thermal Energy Utilization: A Case Study in Ha’il Cement Company
by Fuhaid Alshammari, Ahmed S. Alshammari and Ahmed Alzamil
Processes 2025, 13(2), 500; https://doi.org/10.3390/pr13020500 - 11 Feb 2025
Viewed by 704
Abstract
Organic Rankine cycles (ORCs) are increasingly employed in power plants to recover waste energy and reduce environmental impacts. The radial turbine, a critical ORC component, experiences flow losses influenced by design parameters such as the rotor blade and stator vane numbers. Traditional empirical [...] Read more.
Organic Rankine cycles (ORCs) are increasingly employed in power plants to recover waste energy and reduce environmental impacts. The radial turbine, a critical ORC component, experiences flow losses influenced by design parameters such as the rotor blade and stator vane numbers. Traditional empirical correlations developed for air often lack accuracy for ORCs due to differences in fluid properties and flow dynamics. This study uses advanced CFD models to evaluate and refine these correlations for ORC applications. For the ORC, waste heat from the Ha’il Cement Company in Saudi Arabia is used as the heat source. The CFD model was validated with experimental data and showed strong agreement, with a maximum deviation of 5.12% in mass flow rate and 3.97% in turbine outlet temperature. The results show that reducing vane numbers from 17 to 11 increased turbine power, efficiency, and thermal efficiency by 34.8%, 4.17%, and 35.16%, respectively. However, further reduction caused performance deterioration due to high Mach numbers and flow recirculation. Increasing the rotor blade number to 20 improved performance, but numbers beyond 20 caused declines. Among empirical correlations, Rohlik’s correlation with 20 blades achieved optimal outputs of 13.54 kW turbine power, 75% turbine efficiency, and 6.98% thermal efficiency. Further optimization yielded an ORC configuration with 11 vanes and 20 blades, achieving superior performance: 16 kW turbine power, 77% turbine efficiency, and 9% thermal efficiency. Full article
(This article belongs to the Special Issue Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes)
►▼ Show Figures

Figure 1

36 pages, 23574 KiB  
Article
Entropy Generation Modeling in Dynamic Local Thermal Non-Equilibrium Systems Using Neural Networks
by Sameh E. Ahmed, Z. A. S. Raizha, Zeinab Morsy, Fatma Alsubaie and Nouf Alshehry
Processes 2025, 13(2), 319; https://doi.org/10.3390/pr13020319 - 24 Jan 2025
Viewed by 709
Abstract
The study of entropy generation in thermal non-equilibrium (TNE) states has significant implications for optimizing thermal management systems and understanding heat transfer mechanisms in permeable media. This study investigates the entropy properties in a thermal non-equilibrium (TNE) state within double-lid-driven enclosures filled with [...] Read more.
The study of entropy generation in thermal non-equilibrium (TNE) states has significant implications for optimizing thermal management systems and understanding heat transfer mechanisms in permeable media. This study investigates the entropy properties in a thermal non-equilibrium (TNE) state within double-lid-driven enclosures filled with a permeable medium. Unlike the temperature equilibrium state, the entropy approach is described by two equations: one for the irreversibility of the mixture phase and one for the irreversibility of the medium phase. High mixed convection is considered due to the motion of the non-facing edges (left-side and upper edges). Four cases based on the direction of motion are examined: Case 1, where the left-side and top edges move in the negative and positive directions of the Y- and X-axes, respectively; Case 2, where the upper and left-side edges move in the negative and positive directions of the X- and Y-axes, respectively; and Cases 3 and 4, where the edges move in the positive and negative directions of the respective axes. Heat generation within the flow domain is considered for both the suspension and medium phases. The governing system is solved numerically using finite volume techniques with the SIMPLER algorithm. The obtained data are used to predict key quantities, such as the heat transfer rate, under the influence of major factors using an effective artificial neural network (ANN) analysis. The main findings show that the solid phase entropy is higher in Case 3 compared to the other cases. Additionally, Case 2 results in a minimum solid phase Nusselt coefficient at the center of the active boundary. Full article
(This article belongs to the Special Issue Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes)
►▼ Show Figures

Figure 1

22 pages, 11701 KiB  
Article
Numerical Simulation Study on the Stable Combustion of a 660 MW Supercritical Unit Boiler at Ultra-Low Load
by Kaiyu Yang, Zhengxin Li, Xinsheng Cao, Tielin Du and Lang Liu
Processes 2024, 12(11), 2573; https://doi.org/10.3390/pr12112573 - 17 Nov 2024
Viewed by 1120
Abstract
To investigate the safe, stable, and economically viable operation of a boiler under ultra-low-load conditions during the deep peaking process of coal-fired units, a numerical simulation study was conducted on a 660 MW front- and rear-wall hedge cyclone burner boiler. The current research [...] Read more.
To investigate the safe, stable, and economically viable operation of a boiler under ultra-low-load conditions during the deep peaking process of coal-fired units, a numerical simulation study was conducted on a 660 MW front- and rear-wall hedge cyclone burner boiler. The current research on low load conditions is limited to achieving stable combustion by adjusting the operating parameters, and few effective boiler operating parameter predictions are given for very low-load conditions, i.e., below 20%. Various burner operation modes under ultra-low load conditions were analyzed using computational fluid dynamics (CFDs) methods; this operation was successfully tested with six types of pulverized coal combustion in this paper, and fitting models for outlet flue gas temperature and NOx emissions were derived based on the combustion characteristics of different types of pulverized coal. The results indicate that under 20% ultra-low-load conditions, the use of lower burners leads to a uniform temperature distribution within the furnace, achieving a minimum NOx emission of 112 ppm and a flue gas temperature of 743 K. Coal type 3, with the highest carbon content and a calorific value of 22,440 kJ/kg, has the highest average section temperature of 1435.76 K. In contrast, coal type 1 has a higher nitrogen content, with a maximum cross-sectional average NOx concentration of 865.90 ppm and an exit NOx emission concentration of 800 ppm. The overall lower NOx emissions of coal type 3 are primarily attributed to its reduced nitrogen content and increased oxygen content, which enhance pulverized coal combustion and suppress NOx formation. The fitting models accurately capture the influence of pulverized coal composition on outlet flue gas temperature and NOx emissions. This control strategy can be extended to the stable combustion of many kinds of coal. For validation, the fitting error bar for the predicted outlet flue gas temperature based on the elemental composition of coal type 6 was 8.09%, whereas the fitting error bar for the outlet NOx emissions was only 1.45%. Full article
(This article belongs to the Special Issue Advances in Computational Fluid Dynamics (CFD) Simulation of Thermal Chemical Processes)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-5
Back to TopTop