Dynamic simulation of fouling in steam cracking reactors using CFD

Recently computational fluid dynamics (CFD) has been successfully applied for the evaluation of the start-of-run performance of three-dimensional (3D) coil geometries in steam cracking reactors. However, determining the full economic potential of a coil involves tracking its performance throughout the run and not only at start-of-run. Therefore in this work a novel method has been developed that allows to assess the most debated characteristic of these 3D coil geometries, i.e. the potential extension of the run length in combination with the evolution of the product yields during the time on stream. An algorithm based on dynamic mesh generation is presented for simulating coke formation in 3D steam cracking reactor geometries, tracking the apparent geometry deformation caused by the growing coke layer. As a proof-of-concept, a Millisecond propane cracker is simulated over the first days of its run length, and this for three different coil designs: a bare tube, a finned tube and a continuously ribbed reactor design. Our simulations show that the ribbed reactors overall outperform the others although in these enhanced tubular geometries the growth of the coke layer is far from uniform. Because of this, the reactor geometry will change over time, which will in turn influence the fluid dynamics, product yields and successive coke formation substantially.

[1]  Gilbert F. Froment,et al.  Kinetic modeling of the thermal cracking of hydrocarbons. 2. Calculation of activation energies , 1988 .

[2]  David Van Cauwenberge,et al.  CFD-based design of 3D pyrolysis reactors: RANS vs. LES , 2015 .

[3]  Carl M. Schietekat,et al.  Catalytic Coating for Reduced Coke Formation in Steam Cracking Reactors , 2015 .

[4]  Kevin Van Geem,et al.  Two Severity Indices for Scale-Up of Steam Cracking Coils , 2005 .

[5]  K. Wynns,et al.  Characterization of material samples for coking behavior of HP40 material both coated and uncoated using naphtha and ethane feedstock , 2002 .

[6]  Martin Kumar Patel,et al.  Olefins from conventional and heavy feedstocks: Energy use in steam cracking and alternative processes , 2006 .

[7]  G. Marin,et al.  Influence of Dimethyl Disulfide on Coke Formation during Steam Cracking of Hydrocarbons , 2007 .

[8]  Kevin Van Geem,et al.  Molecular reconstruction of complex hydrocarbon mixtures: An application of principal component analysis , 2010 .

[9]  C. Jayatilleke,et al.  The influence of Prandtl number and surface roughness on the resistance of the laminar sub-layer to momentum and heat transfer , 1966 .

[10]  Gilbert F. Froment,et al.  Kinetic modeling of the thermal cracking of hydrocarbons. 1. Calculation of frequency factors , 1988 .

[11]  Tamás Turányi,et al.  On the error of the quasi-steady-state approximation , 1993 .

[12]  P. Moin,et al.  A dynamic subgrid‐scale model for compressible turbulence and scalar transport , 1991 .

[13]  Gilbert F. Froment,et al.  Simulation of the run length of an ethane cracking furnace , 1990 .

[14]  Guy Marin,et al.  Challenges of Modeling Steam Cracking of Heavy Feedstocks , 2007 .

[15]  David Van Cauwenberge,et al.  Computational fluid dynamics‐based design of finned steam cracking reactors , 2014 .

[16]  David Van Cauwenberge,et al.  Necessity and Feasibility of 3D Simulations of Steam Cracking Reactors , 2015 .

[17]  N. Ōtsuka,et al.  Degradation of Surface Oxide Scale on Fe-Ni-Cr-Si Alloys upon Cyclic Coking and Decoking Procedures in a Simulated Ethylene Pyrolysis Gas Environment , 2005 .

[18]  Tiziano Faravelli,et al.  Wide-Range Kinetic Modeling Study of the Pyrolysis, Partial Oxidation, and Combustion of Heavy n-Alkanes , 2005 .

[20]  Kevin Van Geem,et al.  Production of bio-ethene and propene: alternatives for bulk chemicals and polymers , 2013 .

[21]  F. Menter Two-equation eddy-viscosity turbulence models for engineering applications , 1994 .

[22]  J. V. Albano,et al.  Application of extended surfaces in pyrolysis coils , 1988 .

[23]  J. Whitelaw,et al.  Convective heat and mass transfer , 1966 .

[24]  Kevin Van Geem,et al.  Influence of the Reactor Material Composition on Coke Formation during Ethane Steam Cracking , 2014 .

[25]  Gilbert F. Froment,et al.  Influence of Metal Surface and Sulfur Addition on Coke Deposition in the Thermal Cracking of Hydrocarbons , 1995 .

[26]  Kevin Van Geem,et al.  Periodic reactive flow simulation: Proof of concept for steam cracking coils , 2017 .

[27]  G. Froment,et al.  Computer generation of reaction schemes and rate equations for thermal cracking , 1988 .

[28]  G. Froment,et al.  Computer-generation of reaction paths and rate equations in the thermal cracking of normal and branched paraffins , 1984 .

[29]  Kevin Van Geem,et al.  Influence of Silicon and Silicon/Sulfur-Containing Additives on Coke Formation during Steam Cracking of Hydrocarbons , 2008 .