Kee RJ, Coltrin ME, Glarborg P (2003) Chemically reacting flow. Microscale processes based on three-dimensional reconstructions. Karakaya C, Weddle PJ, Blasi JM, Diercks DR, Kee RJ (2016) Modeling reaction-diffusion processes within catalyst washcoats: I. Jakobsen HA (2008) Chemical reactor modeling: multiphase reactive flows. Ishii M, Hibiki T (2006) Thermo-fluid dynamics of two-phase flow. In: Marchisio DL, Fox RO (eds) Multiphase reacting flows: modelling and simulation. Hjertager BH (2007) Multi-fluid CFD analysis of chemical reactors. Hettel M, Daymo E, Deutschmann O (2018) 3D modeling of a CPOX-reformer including detailed chemistry and radiation effects with DUO. In: Nagel W, Kröner D, Resch M (eds) High performance computing in science and engineering ’16. Hettel M, Denev JA, Deutschmann O (2016) Two-zone fluidized bed reactors for butadiene Production: a multiphysical approach with solver coupling for supercomputing application. Hettel M, Diehm C, Bonart H, Deutschmann O (2015) Numerical simulation of a structured catalytic methane reformer by DUO: the new computational interface for OpenFOAM® and DETCHEM™. Hayes RE, Fadic A, Mmbaga J, Najafi A (2012) CFD modelling of the automotive catalytic converter. Gordon and Breach Science Publ, Amsterdam Hayes RE, Kolaczkowski ST (1997) Introduction to catalytic combustion. Habisreuther P, Djordjevic N, Zarzalis N (2009) Statistical distribution of residence time and tortuosity of flow through open-cell foams. Springer, Netherlands, pp 199–256įox RO (2003) Computational methods for turbulent reacting flows. In: Bear J, Corapcioglu M (eds) Fundamentals of transport phenomena in porous media. Science 325:698–701ĭybbs A, Edwards R (1984) A new look at porous media fluid mechanics – darcy to turbulent. Comput Chem Eng 35(7):1171–1185ĭudukovic MP (2009) Frontiers in reactor engineering. CRC Press, Boca Ratonĭixon AG, Taskin ME, Nijemeisland M, Stitt EH (2011) Systematic mesh development for 3D CFD simulation of fixed beds: single sphere study. Chem Eng Sci 175:377–386Ĭrowe CT, Schwarzkopf JD, Sommerfeld M, Tsuji Y (2011) Multiphase flows with droplets and particles, 2nd edn. Comput Chem Eng 61:175–184Ĭornejo I, Nikrityuk P, Hayes RE (2018) Multiscale RANS-based modeling of the turbulence decay inside of an automotive catalytic converter. Chem Eng Sci 145:308–316Ĭhoudary C, Mazumder S (2014) Direct numerical simulation of catalytic combustion in a multi-channel monolith reactor using personal computers with emerging architectures. Macroscale processes informed by microscale simulations. Wiley, New Yorkīlasi JM, Weddle PJ, Karakaya C, Diercks DR, Kee RJ (2016) Modeling reaction-diffusion processes within catalyst washcoats: II. This process is experimental and the keywords may be updated as the learning algorithm improves.īird RB, Stewart WE, Lightfoot EN (2001) Transport phenomena, 2nd edn. These keywords were added by machine and not by the authors. Reynolds-averaged Navier–Stokes Simulations (RANS).Models for surface reaction kinetics and turbulence are described and an overview on available numerical methods and computational tools is provided. Focus is put on the principal concepts for coupling the physical and chemical processes on different levels of details, and on illustrative applications. Approaches for modeling and numerical simulation of the various catalyst types are presented. monoliths, particles, pellets, washcoats). Catalytic reactors can be classified by the geometrical design of the catalyst material (e.g. This chapter introduces the application of CFD simulations in heterogeneous catalysis. However, the simulation results will always remain a reflection of the uncertainty in the underlying models and physicochemical parameters so that in general a careful experimental validation is required. From a reaction engineering perspective, main advantages are reduction of time and costs for reactor design and optimization, and the ability to study systems where experiments can hardly be performed, e.g., hazardous conditions or beyond normal operation limits. ![]() CFD has matured into a powerful tool with a wide range of applications in industry and academia. ![]() Computational Fluid Dynamics or CFD is the analysis of fluid flow, heat and mass transfer and chemical reactions by means of computer-based numerical simulations. ![]() Today, the challenge in chemical and material synthesis is not only the development of new catalysts and supports to synthesize a desired product, but also the understanding of the interaction of the catalyst with the surrounding flow field.
0 Comments
Leave a Reply. |