Special Issue "CFD Modeling of Complex Chemical Processes: Multiscale and Multiphysics Challenges"

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

Deadline for manuscript submissions: 15 December 2019

Special Issue Editors

Guest Editor
Dr. Li Xi

Department of Chemical Engineering and School of Computational Science and Engineering, McMaster University, Hamilton, ON L8S 4L7, Canada
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Interests: Computing in chemical engineering; polymers; fluid mechanics; rheology; molecular simulation; computational fluid dynamics; process modeling
Guest Editor
Dr. De-Wei Yin

The Dow Chemical Company, Midland, Michigan, United States
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Interests: experimental and computational fluid mechanics; modeling of industrial chemical processes; dimensional analysis; molecular simulation
Guest Editor
Dr. Jae Sung Park

Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, NE, United States
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Interests: fluid mechanics; turbulence; complex fluids; electrokinetics; microscale transport; mathematical modeling; scientific computing

Special Issue Information

Dear Colleagues,

Industrial chemical operations rely on a variety of fluid processes for the handling of materials and energy and the mass production of products. These operations, such as mixing, crystallization, polymerization and other reactive processes, and the complex nature of the fluids (emulsions, suspensions, particulate fluids, etc.) interact via complex coupling relations between momentum, mass, and heat transfer, and reaction kinetics. The prediction of process outcomes from operating parameters is thus a non-trivial challenge in the design, control, and optimization of such processes. Process modeling enabled by computational fluid dynamics (CFD) provides a powerful tool for the understanding and quantifiable description of such processes. CFD modeling of chemical processes is faced with unique challenges. In addition to the coupling between multiple physical processes (transport, rheology, reaction kinetics, etc.), these processes are also often intrinsically multiscale. The wide span of length and time scales of relevance can stem from the complex flow (e.g., turbulence and mixing at different scales), complex fluids (e.g., interplay between fluid microstructure and macroscopic flow), or the coupling between microscopic reaction and diffusion with macroscopic flow and mixing (e.g., emulsion polymerization in a reactor).

We cordially invite your contribution to this Special Issue, which will feature the latest developments in the CFD modeling and simulation of complex industrial processes in chemical and biological engineering, materials processing, advanced manufacturing, petroleum engineering, food and pharmaceutical processing, and other related areas. Contributions describing the application of CFD in chemical processes (either as a standalone tool or in combination with experiments and/or theory), development of new models involving CFD, innovations in numerical methods/algorithms, and the integration of CFD in the process design, control, and optimization are all welcome. Both original research and topical reviews will be considered (authors interested in contributing a review article are asked to discuss its topic scope with the Guest Editors as early as possible). Contributions that feature the methods or application of CFD for addressing the process scale-up challenge are particularly welcome.

We look forward to having the opportunity to showcase your research in the Special Issue!

Dr. Li Xi
Dr. De-Wei Yin
Dr. Jae Sung Park
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 1100 CHF (Swiss Francs). Please note that for papers submitted after 30 June 2019 an APC of 1200 CHF applies. 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.


  • Computational fluid dynamics (CFD)
  • process modeling
  • chemical reaction engineering
  • mixing
  • process scale-up
  • multiphase flow
  • complex fluids
  • multiphysics modeling
  • multiscale simulation

Published Papers (1 paper)

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Open AccessArticle CFD Optimization Process of a Lateral Inlet/Outlet Diffusion Part of a Pumped Hydroelectric Storage Based on Optimal Surrogate Models
Processes 2019, 7(4), 204; https://doi.org/10.3390/pr7040204
Received: 5 March 2019 / Revised: 2 April 2019 / Accepted: 4 April 2019 / Published: 10 April 2019
PDF Full-text (2595 KB)
The lateral inlet/outlet plays a critical role in the connecting tunnels of a water delivery system in a pumped hydroelectric storage (PHES). Therefore, the shape of the inlet/outlet was improved through computational fluid dynamics (CFD) optimization based on optimal surrogate models. The CFD [...] Read more.
The lateral inlet/outlet plays a critical role in the connecting tunnels of a water delivery system in a pumped hydroelectric storage (PHES). Therefore, the shape of the inlet/outlet was improved through computational fluid dynamics (CFD) optimization based on optimal surrogate models. The CFD method applied in this paper was validated by a physical experiment that was carefully designed to meet bidirectional flow requirements. To determine a good compromise between the generation and pump mode, reasonable weights were defined to better evaluate the overall performance. In order to find suitable surrogate models to improve the optimization process, the best suited surrogate models were identified by an optimal model selection method. The optimal configurations of the surrogate model for the head loss and the velocity distribution coefficient were the Kriging model with a Gaussian kernel and the Kriging model with an Exponential kernel, respectively. Finally, a multi-objective surrogate-based optimization method was used to determine the optimum design. The overall head loss coefficient and velocity distribution coefficients were 0.248 and 1.416. Compared with the original shape, the coefficients decrease by 6.42% and 40.28%, respectively. The methods and findings of this work may provide practical guidelines for designers and researchers. Full article

Planned Papers

The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.

Dr. Gajendra Kumar Gaurav 
Dr. Ralf Takors
Dr. Kristian Etienne Einarsrud 
Dr. Varun G Menon
Dr. Yang Gao
Dr. Hyunjong Kim
Dr. Li Xi
Dr. Ali
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