modelMethanator_L4

Discretized pseudohomogeneous PFR model of a fixed-bed methanator

Extends from TransiEnt.Components.Gas.Reactor.Base.PartialFixedbedReactorIdealGas_L4 (Discretized model of a fixed-bed reactor using ideal gas models).

Information

1. Purpose of model

This model represents a discretized fixed bed methanator with reaction kinetics with constant effectiveness factors.

2. Level of detail, physical effects considered, and physical insight

The reactor is discretized and in each volume mass, impulse and energy balances as well as heat transfer between tube wall and synthesis gas in the tubes and reaction rate equations are solved. These equations are taken from Schlereth [1] except that the pressure loss is assumed to be constant and the effective reaction rates are calculated using constant effectiveness factors. Also the mass balances are stationary so changes in density are neglected.

3. Limits of validity

The model is valid if the changes of the effectiveness factors and the pressure loss are negligible.

4. Interfaces

gasPortIn: ideal gas inlet

gasPortOut: ideal gas outlet

heat: heat port

5. Nomenclature

(no elements)

6. Governing Equations

The used equations are described in [1] except for the changes described in 2. The pressure calculation for each volume can be done either using the pressure in the middle or at the end of the volume.

7. Remarks for Usage

The nominal value for the reactor's power can either be defines by the nominal mass flows or the respective nominal enthalpy flows of the mass flows. The scaling factors are always adjusted for an input of H2 and CH4 with a molar ratio of 4:1. Therefore the parameter "ScalingOfReactor" needs to and the corresponding nominal value needs to be set. Consider that scaling by the nominal mass flow of methane may leed to inaccuracies since the product of the reactor depends on the operating temperature and pressure.

ScalingOfReactor=1: The reactor is scaled by the nominal methane mass flow m_flow_Methane.

ScalingOfReactor=2: The reactor is scaled by the nominal hydrogen mass flow m_flow_Hydrogen.

ScalingOfReactor=3: The reactor is scaled by the nominal enthalpy flow of methane (H_flow_methane) defined by the product of methane mass flow and NCV of methane.

ScalingOfReactor=4: The reactor is scaled by the nominal enthalpy flow of hydrogen (H_flow_hydrogen) defined by the product of hydrogen mass flow and NCV of hydrogen.

8. Validation

The results of the model were compared to results from Schlereth (Figure 6.10) [1] and the outlet variables fit the results very well.

9. References

[1] David, Schlereth (2015): Kinetic and Reactor Modeling for the Methanation of Carbon Dioxide. Ph. D. Thesis. Technische Universitaet Muenchen, Muenchen.

10. Version History

Model created by Tom Lindemann (tom.lindemann@tuhh.de) in Mar 2016

Revised by Lisa Andresen (andresen@tuhh.de) in May 2016


Model modified by Carsten Bode (c.bode@tuhh.de) in Jul 2016

Model modified by Oliver Schülting (oliver.schuelting@tuhh.de) in Feb 2018

Parameters

TypeNameDefaultDescription
IntegerN_comp (from PartialFixedbedReactorIdealGas_L4)medium.ncnumber of components
SI.CrossSectionA_c (from PartialFixedbedReactorIdealGas_L4)N_tube*pi/4*dia_tube_i^2total crosssectional area of all reactor tubes
SI.LengthDelta_x (from PartialFixedbedReactorIdealGas_L4)l/N_cvLength of one control volume
Realeps1e-10
SI.TemperatureT_ref555reference Temperature for rate constants
TransiEnt.Basics.Media.Gases.Gas_VDIWA_SG4_vargas_sg4
Real[1]Ak_i{3.46e-1}rate constant at reference Temperature
SI.Enthalpy[3]dH_j{22.4e3, -6.2e3, -10e3}Adsorption enthalpy for OH, H2, mix
Real[3]AK_j{0.5, 0.44, 0.88}Pre-exponential factor for the calculation of the adsorption constant for OH, H2, mix
SI.CoefficientOfHeatTransferalpha_out2000Heat transfer coefficient on the outside of the tube
SI.AreaA_tube_iN_tube*pi*dia_tube_i*Delta_xsurface of control volume for heat transfer
SI.SpecificEnthalpyNCVTransiEnt.Basics.Functions.GasProperties.getIdealGasNCVVector(gas_sg4, gas_sg4.nc)NCV of gas components
SI.SpecificEnthalpyGCVTransiEnt.Basics.Functions.GasProperties.getIdealGasGCVVector(gas_sg4, gas_sg4.nc)GCV of gas component
SI.EnthalpyFlowRateH_flow_n_methanation_H2if ScalingOfReactor == 1 then m_flow_n_Methane*NCV[1]/0.83 elseif ScalingOfReactor == 2 then m_flow_n_Hydrogen*NCV[4] elseif ScalingOfReactor == 3 then H_flow_n_Methane/0.83 else H_flow_n_HydrogenApproximated nominal power of reactor based on NCV of hydrogen input
SI.EnthalpyFlowRateH_flow_n_methanation_CH4H_flow_n_methanation_H2*0.83Approximated nominal power of reactor based on NCV of methane output
Fundamental Definitions
TILMedia.GasTypes.BaseGasmedium (from PartialFixedbedReactorIdealGas_L4)simCenter.gasModel2Medium model
BooleanuseHomotopy (from PartialFixedbedReactorIdealGas_L4)simCenter.useHomotopytrue if homotopy should be used
IntegerN_cv (from PartialFixedbedReactorIdealGas_L4)1Number of control volumes
IntegerN_reac (from PartialFixedbedReactorIdealGas_L4)Number of reactions
Integer[N_reac,N_comp - 1]nu (from PartialFixedbedReactorIdealGas_L4)Matrix with stochiometric coefficients of all components-1 in all reactions
SI.MolarEnergy[N_reac]E_i (from PartialFixedbedReactorIdealGas_L4)Activation energies
SI.MolarEnthalpy[N_reac]dH_R_i (from PartialFixedbedReactorIdealGas_L4)Reaction enthalpies
SI.Efficiency[N_cv,N_reac]eff (from PartialFixedbedReactorIdealGas_L4)Effectiveness factors for the reactions
SI.PressureDifferenceDelta_p (from PartialFixedbedReactorIdealGas_L4)Total pressure loss over the reactor
IntegerpressureCalculation (from PartialFixedbedReactorIdealGas_L4)1Method of pressure calculation
Geometry
RealN_tube (from PartialFixedbedReactorIdealGas_L4)Number of tubes
SI.Diameterdia_tube_i (from PartialFixedbedReactorIdealGas_L4)Inner tube diameter
SI.Lengthl (from PartialFixedbedReactorIdealGas_L4)Length of reactor
Catalyst
SI.Diameterdia_part (from PartialFixedbedReactorIdealGas_L4)Equivalent pellet diameter
SI.VolumeFractioneps_bed (from PartialFixedbedReactorIdealGas_L4)Bed porosity
SI.VolumeFractioneps_cat (from PartialFixedbedReactorIdealGas_L4)Catalyst porosity
SI.Densityd_cat (from PartialFixedbedReactorIdealGas_L4)Density of catalyst particle
SI.Densityd_bed (from PartialFixedbedReactorIdealGas_L4)d_cat*(1 - eps_bed)Density of fixed-bed
SI.SpecificHeatCapacitycp_cat (from PartialFixedbedReactorIdealGas_L4)Specific heat capacity of catalyst
SI.ThermalConductivitylambda_p50Particle conductivity
Nominal Values
SI.Temperature[N_cv]T_nom (from PartialFixedbedReactorIdealGas_L4)Nominal gas and catalyst temperature in the control volumes
SI.Pressure[N_cv]p_nom (from PartialFixedbedReactorIdealGas_L4)Nominal pressure in the control volumes
SI.MassFraction[N_cv,N_comp - 1]xi_nom (from PartialFixedbedReactorIdealGas_L4)Nominal values for mass fractions
IntegerScalingOfReactor2Chooce by which value the scaling of the reactor is defined
SI.MassFlowRatem_flow_n_Methane0.2Nominal mass flow rate of methane at the outlet
SI.MassFlowRatem_flow_n_Hydrogen0.2Nominal mass flow rate of hydrogen at the inlet
SI.EnthalpyFlowRateH_flow_n_Methane1Nominal enthalpy flow rate of methane at the output based on NCV
SI.EnthalpyFlowRateH_flow_n_Hydrogen1Nominal enthalpy flow rate of hydrogen at the input based on NCV
Statistics
BooleancalculateCostsimCenter.calculateCosttrue if cost shall be calculated

Connectors

TypeNameDefaultDescription
TransiEnt.Basics.Interfaces.Gas.IdealGasEnthPortIngasPortIn (from PartialFixedbedReactorIdealGas_L4)
TransiEnt.Basics.Interfaces.Gas.IdealGasEnthPortOutgasPortOut (from PartialFixedbedReactorIdealGas_L4)
Modelica.Thermal.HeatTransfer.Interfaces.HeatPort_a[N_cv]heat (from PartialFixedbedReactorIdealGas_L4)

Components

TypeNameDefaultDescription
TransiEnt.SimCentersimCenter (from PartialFixedbedReactorIdealGas_L4)
SI.Temperature[N_cv]T (from PartialFixedbedReactorIdealGas_L4)Gas and catalyst temperature in the control volumes
SI.Pressure[N_cv]p (from PartialFixedbedReactorIdealGas_L4)Pressure in the control volumes
SI.MassFraction[N_cv,N_comp - 1]xi (from PartialFixedbedReactorIdealGas_L4)Mass fraction in the control volumes
TransiEnt.ModelStatisticsmodelStatistics
Summarysummary
TransiEnt.Components.Statistics.Collectors.LocalCollectors.CollectCostsGeneralcollectCosts

Contents

NameDescription
CostSpecsGeneral
Outlineprotected
Summaryprotected