Tutorial Modeling of monolith reactors

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Heterogeneous catalytic reactions Heterogeneous gas phase catalytic reactions typically comprise the same steps. Fluid flow over the solid results in a boundary layer through which heat and mass diffuse to the gas/solid interface. Reactants diffuse into the porous catalyst. External catalyst surface catalyst pore Bulk gas Reactants adsorb on the active sites. The reaction occurs on the active sites, located on the walls of the tortuous pores. Products desorb and diffuse back to the surface, and then through the boundary layer to the bulk fluid. 6
Model Scales Micro scale: At the atomic/molecular level, the basic chemistry involves a set of adsorption/desorption and surface reaction steps. The genuine mechanism may be very complicated. Gas Phase Catalyst Meso scale: Single channel of a monolith. Includes gas phase flow, transport to the surface of the washcoat by diffusion, diffusion and reaction in the washcoat. The basic process in a heterogeneous catalytic reaction are present at the meso scale. Macro scale: Entire catalytic converter, which includes transport and interaction among channels. 7
Page 1 and 2: Introduction to Monolith Reactor Mo
Page 3 and 4: Why use computer modelling? • Exp
Page 5: Observations • The problem involv
Page 9 and 10: Mathematical formulation • The fu
Page 11 and 12: Basic models in common use • Sing
Page 13 and 14: The 3D SCM • The real monolith do
Page 15 and 16: The 2D approximate SCM • The 2D m
Page 17 and 18: The 2D SCM • All of the physical/
Page 19 and 20: Modelling the fluid domain Velocity
Page 21 and 22: Modelling the washcoat domain • T
Page 23 and 24: Diffusion in the washcoat • Diffu
Page 25 and 26: Modelling the substrate domain The
Page 27 and 28: Comparing 2D and 3D models • The
Page 29 and 30: Comparing 2D and 3D models • The
Page 31 and 32: Comparing 2D and 3D models Percenta
Page 33 and 34: Review of boundary layer flow Flow
Page 35 and 36: Boundary layers in a tube • At th
Page 37 and 38: Heat and mass transfer • Heat and
Page 39 and 40: 1D SCM mass balances The fluid phas
Page 41 and 42: 1D SCM energy balances The fluid ph
Page 43 and 44: Nusselt and Sherwood numbers • Fo
Page 45 and 46: Nusselt and Sherwood numbers • Ho
Page 47 and 48: Nusselt and Sherwood numbers • Ho
Page 49 and 50: Simplified 1D models • Dispersion
Page 51 and 52: Models for the converter • In rea
Page 53 and 54: Discrete converter models • A pas
Page 55 and 56: Momentum balance equation Velocity
Page 57 and 58:
Energy balances The fluid phase ene
Page 59 and 60:
Continuum model • In effect, the
Page 61 and 62:
Model validation • All models mus
Page 63 and 64:
Model validation - Example Heating
Page 65:
Advertising supplement R.E. Hayes a
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Tutorial Modeling of monolith reactors

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