Computational Fluid Dynamics in Chemical Engineering

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Computational Fluid Dynamics in Chemical Engineering,

Edition 1 Fundamentals and Applications

Editors: By Cíntia Soares and Natan Padoin

Publication Date: 01 Nov 2026

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Computational Fluid Dynamics in Chemical Engineering: Fundamentals and Applications begins with an overview of the current use and critical importance in both industrial and academic scenarios, presenting the key concepts that are the base of this discipline and showing how it is strongly related to a variety of adjacent areas. The fundamentals of the necessary mathematical modelling required and the solution of complex system of equations using CFD techniques (with a comprehensive description of different numerical methods) are then presented in detail.

Part II then presents a variety of applications of CFD in the context of Chemical Reaction Engineering. Detailed examples are explored, ranging from single-phase to multiphase reactors (including operation in microfluidic devices before presenting the main trends, challenges, and opportunities for CFD in this area over the next decades. Part III presents a variety of applications of CFD in the context of the Unit Operations of Chemical Engineering. Detailed examples are explored, ranging from fluid mixing to coupled heat and mass transport phenomena, passing through heat transfer, solids handling and transport in porous media. Part IV concludes the book with an overview of advanced uses of CFD in Chemical Engineering and related areas with a focus on Multiphysics applications (e.g., combining CFD with acoustics, analysing and designing photochemical reactors coupling CFD with light modelling, etc.). Multiscale applications, combining CFD with macroscopic and molecular simulation are also discussed. Finally, an overview of combining CFD with optimization techniques (including DOE and machine learning) is presented.

The book is primarily intended for graduate level students and early career students in chemical engineering as well as those working in industry on the analysis, design, optimization and scale-up of a variety of equipment who require better understanding of phenomena occurring in that environment.

Key Features

Presents CFD as a powerful tool to solve a variety of problems specifically in chemical engineering research and industry
Provides a strong theoretical foundation covering the fundamental mathematical modelling and numerical simulation involved
Detailed examples of applications are provided including case studies on single-phase and multiphase reactors, fluid mixing, heat transfer, coupled heat and mass transport phenomena, solids handling and transport in porous media
Applications explored include the analysis, design, optimization and scale-up of chemical transformation systems, heat exchangers, mixers, distillation equipment, and absorption devices
Bridges the gap between knowledge and recent application/advances by using examples and integrated tutorials

About the author

By Cíntia Soares, Chemical and Food Engineering Department, Federal University of Santa Catarina, Florianópolis, Santa Catarina, Brazil and Natan Padoin, Chemical and Food Engineering Department, Federal University of Santa Catarina, Florianópolis, Santa Catarina, Brazil

PART I: FUNDAMENTALS OF MATHEMATICAL MODELING AND NUMERICAL SIMULATION IN CHEMICAL ENGINEERING
1. Introduction: An Overview of Computational Fluid Dynamics (CFD) in Chemical Engineering
2. Mathematical Modelling in Chemical Engineering
3. Fundamentals of Numerical Simulation with Computational Fluid Dynamics in Chemical Engineering
4. Advanced Topics in Mathematical Modelling and Numerical Simulation with CFD in Chemical Engineering

PART II: APPLICATIONS OF COMPUTATIONAL FLUID DYNAMICS IN CHEMICAL REACTION ENGINEERING
5. Single-Phase Reactors
6. Multiphase Reactors
7. Trends, Challenges and Opportunities for Computational Fluid Dynamics in Chemical Reaction Engineering

PART III: APPLICATIONS OF COMPUTATIONAL FLUID DYNAMICS IN UNIT OPERATIONS OF CHEMICAL ENGINEERING
8. Fluid Mixing
9. Heat Exchangers
10. Solids Handling
11. Transport in Porous Media
12. Coupled Heat and Mass Transfer Operations
13. Trends, Challenges and Opportunities for Computational Fluid Dynamics in Unit Operations of Chemical Engineering

PART IV: FRONTIERS OF COMPUTATIONAL FLUID DYNAMICS IN CHEMICAL ENGINEERING
14. Multiphysics Applications
15. Multiscale Applications
16. Computational Fluid Dynamics Coupled with Optimization Techniques

Primarily intended for undergraduate and graduate students in Chemical Engineering, providing fundamentals and training for the professional working on the solution of complex industrial problems or for the researcher carrying out disruptive investigations in Chemical Engineering sciences (and related fields), where CFD can be a helpful tool to understand the underlying physics; Helpful to the chemical engineers working in the analysis, design, optimization and scale-up of a variety of equipment as well as for the understanding of many phenomena occurring in that environment; Companies and academic laboratories focused on computational simulation solutions can also use it as a textbook for internal and/or external training courses

There will also be inevitable relevance to students and researchers/industry professionals in closely adjacent/overlapping areas such as Bioprocess Engineering, Environmental Engineering, Food Engineering, Materials Science and Engineering, Mechanical Engineering, and Chemistry

Computational Fluid Dynamics in Chemical Engineering,

Editors: By Cíntia Soares and Natan Padoin

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