Fixed bed reactors of non-spherical pellets: Importance of heterogeneities and inadequacy of azimuthal averaging

Augier, 2010, Numerical simulations of transfer and transport properties inside packed beds of spherical particles, Chem. Eng. Sci., 65, 1055, 10.1016/j.ces.2009.09.059 Baker, 2011, Image based meshing of packed beds of cylinders at low aspect ratios using 3d MRI coupled with computational fluid dynamics, Comput. Chem. Eng., 35, 1969, 10.1016/j.compchemeng.2011.03.017 Beguin, 2013, Pore-scale flow measurements at the interface between a sandy layer and a model porous medium: application to statistical modeling of contact erosion, J. Hydraul. Eng., 139, 1, 10.1061/(ASCE)HY.1943-7900.0000641 Behnam, 2013, A new approach to fixed bed radial heat transfer modeling using velocity fields from computational fluid dynamics simulations, Ind. Eng. Chem. Res., 52, 15244, 10.1021/ie4000568 Bey, 2001, Gas flow and heat transfer through catalyst filled tubes, Int. J. Therm. Sci., 40, 152, 10.1016/S1290-0729(00)01204-7 Bey, O., Eigenberger, G., 1997. Fluid flow through catalyst filled tubes 52. Boccardo, 2015, Validation of a novel open-source work-flow for the simulation of packed-bed reactors, Chem. Eng. J., 279, 809, 10.1016/j.cej.2015.05.032 Calis, 2001, CFD modeling and experimental validation of pressure drop and flow profile in a novel structured catalytic reactor packing, Chem. Eng. Sci., 56, 1713, 10.1016/S0009-2509(00)00400-0 Cheng, 2011, Wall effect on pressure drop in packed beds, Powder Technol., 210, 261, 10.1016/j.powtec.2011.03.026 Coussirat, 2007, Performance of stress-transport models in the prediction of particle-to-fluid heat transfer in packed beds, Chem. Eng. Sci., 62, 6897, 10.1016/j.ces.2007.08.071 De Klerk, 2003, Voidage variation in packed beds at small column to particle diameter ratio, AIChE J., 49, 2022, 10.1002/aic.690490812 Dijksman, 2012, Invited article: Refractive index matched scanning of dense granular materials, Rev. Sci. Instrum., 83, 10.1063/1.3674173 Dixon, 1988, Correlations for wall and particle shape effects on fixed bed bulk voidage, Can. J. Chem. Eng., 66, 705, 10.1002/cjce.5450660501 Dixon, 2011, Systematic mesh development for 3D CFD simulation of fixed beds: Single sphere study, Comput. Chem. Eng., 35, 1171, 10.1016/j.compchemeng.2010.12.006 Dixon, 2001, CFD as a design tool for fixed-bed reactors, Ind. Eng. Chem. Res., 5246, 10.1021/ie001035a Dixon, 2013, Systematic mesh development for 3D CFD simulation of fixed beds: Contact points study, Comput. Chem. Eng., 48, 135, 10.1016/j.compchemeng.2012.08.011 Dixon, 2006, Packed tubular reactor modeling and catalyst design using computational fluid dynamics, Adv. Chem. Eng., 31, 307, 10.1016/S0065-2377(06)31005-8 Dixon, 2012, Experimental validation of high Reynolds number CFD simulations of heat transfer in a pilot-scale fixed bed tube, Chem. Eng. J., 200–202, 344, 10.1016/j.cej.2012.06.065 Dong, 2017, Investigation of radial heat transfer in a fixed-bed reactor: CFD simulations and profile measurements, Chem. Eng. J., 317, 204, 10.1016/j.cej.2017.02.063 Eisfeld, 2001, The influence of confining walls on the pressure drop in packed beds, Chem. Eng. Sci., 56, 4321, 10.1016/S0009-2509(00)00533-9 Eppinger, 2011, DEM-CFD simulations of fixed bed reactors with small tube to particle diameter ratios, Chem. Eng. J., 166, 324, 10.1016/j.cej.2010.10.053 Foumeny, 1991, Elucidation of mean voidage in packed beds, Can. J. Chem. Eng., 10.1002/cjce.5450690425 Freiwald, 1992, Accuracy of model predictions and reliability of experimental data for heat transfer in packed beds, Chem. Eng. Sci., 47, 1545, 10.1016/0009-2509(92)85003-T Freund, 2005, Detailed simulation of transport processes in fixed-beds, Ind. Eng. Chem. Res., 44, 6423, 10.1021/ie0489453 Freund, 2003, Numerical simulations of single phase reacting flows in randomly packed fixed-bed reactors and experimental validation, Chem. Eng. Sci., 58, 903, 10.1016/S0009-2509(02)00622-X Giese, 1998, Measured and modeled superficial flow profiles in packed beds with liquid flow, AIChE J., 44, 484, 10.1002/aic.690440225 Harshani, 2016, Experimental study of porous media flow using hydro-gel beads and LED based PIV, Meas. Sci. Technol., 28, 15902, 10.1088/1361-6501/28/1/015902 Höhner, 2014, A study on the influence of particle shape and shape approximation on particle mechanics in a rotating drum using the discrete element method, Powder Technol., 253, 256, 10.1016/j.powtec.2013.11.023 Jafari, 2008, Modeling and CFD simulation of flow behavior and dispersivity through randomly packed bed reactors, Chem. Eng. J., 144, 476, 10.1016/j.cej.2008.07.033 Krischke, A.M., 2001. Modellierung und experimentelle Untersuchung von Transportprozessen in durchstromten Schuttungen. FORTSCHRITT BERICHTE-VDI R. 3 VERFAHRENSTECHNIK. VDI VERLAG. Kwapinski, 2004, Modeling of the wall effect in packed bed adsorption, Chem. Eng. Technol., 27, 1179, 10.1002/ceat.200407001 Lu, 2015, Discrete element models for non-spherical particle systems: From theoretical developments to applications, Chem. Eng. Sci., 127, 425, 10.1016/j.ces.2014.11.050 Ma, 2018, CFD-DEM investigation of the fluidization of binary mixtures containing rod-like particles and spherical particles in a fluidized bed, Powder Technol., 336, 533, 10.1016/j.powtec.2018.06.034 Magnico, 2003, Hydrodynamic and transport properties of packed beds in small tube-to-sphere diameter ratio: pore scale simulation using an Eulerian and a Lagrangian approach, Chem. Eng. Sci., 58, 5005, 10.1016/S0009-2509(03)00282-3 Mantle, 2001, Single-and two-phase flow in fixed-bed reactors: MRI flow visualisation and lattice-Boltzmann simulations, Chem. Eng. Sci., 56, 523, 10.1016/S0009-2509(00)00256-6 Marigo, 2015, Discrete element method (DEM) for industrial applications: Comments on calibration and validation for the modelling of cylindrical pellets, KONA Powder Part. J., 32, 236, 10.14356/kona.2015016 McGreavy, 1986, Characterization of transport properties for fixed bed in terms of local bed structure and flow distribution, Chem. Eng. Sci., 41, 787, 10.1016/0009-2509(86)87159-7 Moghaddam, 2018, A rigid body dynamics algorithm for modelling random packing structures of non-spherical and non-convex pellets, Ind. Eng. Chem. Res., 57, 14988, 10.1021/acs.iecr.8b03915 Mueller, 1993, Angular void fraction distributions in randomly packed fixed beds of uniformly sized spheres in cylindrical containers, Powder Technol., 77, 313, 10.1016/0032-5910(93)85023-3 Nijemeisland, 2004, CFD study of fluid flow and wall heat transfer in a fixed bed of spheres, AIChE J., 50, 906, 10.1002/aic.10089 Nijemeisland, 2001, Comparison of CFD simulations to experiment for convective heat transfer in a gas-solid fixed bed, Chem. Eng. J., 82, 231, 10.1016/S1385-8947(00)00360-0 Papageorgiou, 1995, Simulation models accounting for radial voidage profiles in fixed-bed reactors, Chem. Eng. Sci., 50, 3043, 10.1016/0009-2509(95)00138-U Partopour, 2017, An integrated workflow for resolved-particle packed bed models with complex particle shapes, Powder Technol., 322, 258, 10.1016/j.powtec.2017.09.009 Patankar, 1980 Pistocchini, 2016, Porosity and pressure drop in packed beds of spheres between narrow parallel walls, Chem. Eng. J., 284, 802, 10.1016/j.cej.2015.08.047 Rakotonirina, 2018, Grains3D, a flexible DEM approach for particles of arbitrary convex shape - Part II: Parallel implementation and scalable performance, Powder Technol., 324, 18, 10.1016/j.powtec.2017.10.033 Reichelt, 1972, Zur Berechnung des Druckverlustes einphasig durchströmter Kugel-und Zylinderschüttungen, Chemie Ing. Tech., 1068, 10.1002/cite.330441806 Ren, 2005, Magnetic resonance visualisation of flow and pore structure in packed beds with low aspect ratio, Chem. Eng. Technol., 28, 219, 10.1002/ceat.200407092 Roache, 1998, Verification of codes and calculations, AIAA J., 36, 696, 10.2514/2.457 Robbins, 2012, CFD modeling of single-phase flow in a packed bed with MRI validation, AIChE J., 58, 3904, 10.1002/aic.13767 Romkes, 2003, CFD modelling and experimental validation of particle-to-fluid mass and heat transfer in a packed bed at very low channel to particle diameter ratio, Chem. Eng. J., 96, 3, 10.1016/j.cej.2003.08.026 Roshani, 1990 Seelen, 2018, A granular discrete element method for arbitrary convex particle shapes: Method and packing generation, Chem. Eng. Sci., 189, 84, 10.1016/j.ces.2018.05.034 Singhal, 2017, Heat transfer to a gas from densely packed beds of cylindrical particles, Chem. Eng. Sci., 172, 1, 10.1016/j.ces.2017.06.003 Singhal, 2017, Heat transfer to a gas from densely packed beds of monodisperse spherical particles, Chem. Eng. J., 314, 27, 10.1016/j.cej.2016.12.124 Suekane, 2003, Inertial flow structures in a simple-packed bed of spheres, AIChE J., 49, 10, 10.1002/aic.690490103 Taskin, 2008, CFD study of the influence of catalyst particle design on steam reforming reaction heat effects in narrow packed tubes, Ind. Eng. Chem. Res., 47, 5966, 10.1021/ie800315d Van Doormaal, 1984, Enhancements of the SIMPLE method for predicting incompressible fluid flows, Numer. heat Transf., 7, 147, 10.1080/01495728408961817 Vortmeyer, 1991, Discrimination of three approaches to evaluate heat fluxes for wall-cooled fixed bed chemical reactors, Chem. Eng. Sci., 46, 2651, 10.1016/0009-2509(91)80058-7 Wachs, 2012, Grains3D, a flexible DEM approach for particles of arbitrary convex shape — Part I: Numerical model and validations, Powder Technol., 224, 374, 10.1016/j.powtec.2012.03.023 Wehinger, 2015, Evaluating catalytic fixed-bed reactors for dry reforming of methane with detailed CFD, Chemie-Ingenieur-Technik, 87, 10.1002/cite.201400153 Wehinger, 2015, Detailed numerical simulations of catalytic fixed-bed reactors: Heterogeneous dry reforming of methane, Chem. Eng. Sci., 122, 197, 10.1016/j.ces.2014.09.007 Wehinger, 2017, Contact modifications for CFD simulations of fixed-bed reactors, Cylindrical Particles Wehinger, 2017, Contact modifications for CFD simulations of fixed-bed reactors: Cylindrical particles, Ind. Eng. Chem. Res., 56, 87, 10.1021/acs.iecr.6b03596 Winterberg, 2000, Modelling of heat transport in beds packed with spherical particles for various bed geometries and/or thermal boundary conditions, Int. J. Therm. Sci., 39, 556, 10.1016/S1290-0729(00)00251-9 Winterberg, 2000, Impact of tube-to-particle-diameter ratio on pressure drop in packed beds, AIChE J., 46, 1084, 10.1002/aic.690460519 Winterberg, 2000, A simple and coherent set of coefficients for modelling of heat and mass transport with and without chemical reaction in tubes filled with spheres, Chem. Eng. Sci., 55, 967, 10.1016/S0009-2509(99)00379-6 Wu, 2017, DEM simulation of cubical particle packing under mechanical vibration, Powder Technol., 314, 89, 10.1016/j.powtec.2016.09.029 Yan, 2015, Discrete element modelling (DEM) input parameters: understanding their impact on model predictions using statistical analysis, Comput. Part. Mech., 2, 283, 10.1007/s40571-015-0056-5 Yang, 2016, Computational study of fluid flow and heat transfer in composite packed beds of spheres with low tube to particle diameter ratio, Nucl. Eng. Des., 300, 85, 10.1016/j.nucengdes.2015.10.030 Zhong, 2016, DEM/CFD-DEM modelling of non-spherical particulate systems: theoretical developments and applications, Powder Technol., 302, 108, 10.1016/j.powtec.2016.07.010