Perspectives of the Automotive Industry on the Modeling of Exhaust Gas Aftertreatment Catalysts

A multi-process model for the photocatalytic reduction of CO2

“…The micro-kinetic model was built using chemical engineering theory. 18–20 In this model, the Langmuir–Hinshelwood mechanism (L–H mechanism) 21 was used to explain the surface catalytic mechanism. Also, the adsorption–desorption equilibrium of the reactants and products was considered, as shown in detail in the ESI †…”

Flow and Forced Convection Heat and Mass Transfer Characteristics of Developed Laminar Flow in Square Channels with Rounded Corners: A Model for Flow in Washcoated Monolith Channels

“…Computer simulation has become an important tool for designing vehicle exhaust aftertreatment systems, ,− enabling a wide range of parameters to be investigated more quickly and cost effectively than a purely experimental “trial and error” approach. One-dimensional models have proved popular for this application as they offer a good compromise between accuracy and runtime. , This paper provides parameters for inclusion in one-dimensional models that enable the flow and heat and mass transfer characteristics of these channels to be accurately accounted for. The parameters in question are the friction factor ( f ), viscous loss coefficient ( F ), Nusselt number ( Nu ), Sherwood number ( Sh ), momentum flux correction factor (α), and kinetic energy flux correction factor (α E ).…”

“…To show how these parameters are used, eqs –3 below are typical of the momentum, gas energy, and gas mass balance equations (respectively) used in a one-dimensional model of a monolith reactor (e.g., refs , , , ). Thus, the gas momentum balance equation (eq ) requires values of F and α; the gas energy balance equation (eq ) requires the heat transfer coefficient ( h ), which is calculated from Nu ; the gas mass balance equation (eq ) requires the mass transfer coefficient ( k m ), which is calculated from Sh . Other terms in these equations are the gas pressure ( P ), axial coordinate ( z ), the density of the gas in the channel (ρ), the mean velocity of the gas in the channel ( V m ), the viscosity of the gas in the channel (μ), the cross-sectional area of the channel ( A C ), the specific heat capacity of the gas in the channel at constant pressure ( C p ), the mixing cup temperature of the gas in the channel ( T m ), the channel perimeter (p), the temperature of the channel wall ( T Γ ), the mixing cup concentration of the chemical species in question in the channel ( C m ), and the concentration of the chemical species at the channel wall ( C Γ ).…”