modelHeteroCatThiele
heterogeneous catalysis including thiele modulus
Extends from BaseReaction (partial model for reaction).
Information
This model is intended for heterogeneous catalytic reactions where the change in reaction kinetics due to diffusion in the catalysator is taken into account using the Thiele modulus. The (intrinsic) reaction rate is determined at liquid bulk conditions using the equations provided by the medium model. Using the Thiele modulus a catalyst effectiveness factor is determined which is used to determine the (effective) reaction rate.
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Integer | n (from BaseReaction) | ||
| Integer | nS (from BaseReaction) | MediumLiquid.nSubstance | number of components, educts=negative, products=positive |
| Boolean | film (from BaseReaction) | true if reaction reaction model may also be used for film reaction | |
| Integer | nR | MediumLiquid.nR | number of reactions |
| Real[nR,nS] | nu | MediumLiquid.nu | stocheometric coefficients for the reaction |
| Integer[nR] | reacComp | MediumLiquid.reacComp | index of component in the component vector for which the reaction rate equation is written |
| SI.Volume | V_cat | 0.01 | Gesamtvolumen eines Katalysatorpellets |
| SI.Area | S_x | 0.02 | external catalyst surface |
| Real | tau | catalyst tortuosity | |
| Real | epsilon | catalyst porosity | |
| SI.Mass | m_cat | mass of catalysator in the whole column in Gramm |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| SI.Concentration[nS] | c (from BaseReaction) | ||
| SI.Volume | V (from BaseReaction) | liquid volume | |
| SI.MolarFlowRate[nS] | Ndot_l_transfer (from BaseReaction) | only needed if no reaction kinetic is taken into account | |
| Real[nS] | gamma (from BaseReaction) | ||
| SI.MolarFlowRate[nS] | Ndot (from BaseReaction) | molar flow rate for each substance, positive: substance is created, negative: substance is removed | |
| SI.HeatFlowRate | deltaH_R (from BaseReaction) | reaction enthalpy | |
| MediumLiquid.ThermodynamicProperties | propsLiq (from BaseReaction) | ||
| MediumLiquid.ReactionRates | reactionRates | ||
| SI.MolarFlowRate[nR,nS] | NdotR | molar flow rate for each substance and each reaction | |
| ThermalSeparation.Units.ReactionRate[nR] | r_intrinsic | m_cat/n*reactionRates.r | intrinsic reaction rate |
| ThermalSeparation.Units.ReactionRate[nR] | r | ||
| Real | eta | catEff.eta | catalyst effectiveness factor |
| MediumLiquid.MolarReactionEnthalpy | molarReactionEnthalpy | ||
| Units.MolarEnthalpy[nR] | h_R | molarReactionEnthalpy.h_R | molar reaction enthalpy, negative if exotherm |
| Real[nR] | deltaH_singleReac | ||
| CatalystEffectiveness | catEff |
Contents
| Name | Description |
|---|---|
| CatalystEffectiveness |