modelMethanator_L4
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
| Type | Name | Default | Description |
|---|---|---|---|
| Integer | N_comp (from PartialFixedbedReactorIdealGas_L4) | medium.nc | number of components |
| SI.CrossSection | A_c (from PartialFixedbedReactorIdealGas_L4) | N_tube*pi/4*dia_tube_i^2 | total crosssectional area of all reactor tubes |
| SI.Length | Delta_x (from PartialFixedbedReactorIdealGas_L4) | l/N_cv | Length of one control volume |
| Real | eps | 1e-10 | |
| SI.Temperature | T_ref | 555 | reference Temperature for rate constants |
| TransiEnt.Basics.Media.Gases.Gas_VDIWA_SG4_var | gas_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.CoefficientOfHeatTransfer | alpha_out | 2000 | Heat transfer coefficient on the outside of the tube |
| SI.Area | A_tube_i | N_tube*pi*dia_tube_i*Delta_x | surface of control volume for heat transfer |
| SI.SpecificEnthalpy | NCV | TransiEnt.Basics.Functions.GasProperties.getIdealGasNCVVector(gas_sg4, gas_sg4.nc) | NCV of gas components |
| SI.SpecificEnthalpy | GCV | TransiEnt.Basics.Functions.GasProperties.getIdealGasGCVVector(gas_sg4, gas_sg4.nc) | GCV of gas component |
| SI.EnthalpyFlowRate | H_flow_n_methanation_H2 | if 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_Hydrogen | Approximated nominal power of reactor based on NCV of hydrogen input |
| SI.EnthalpyFlowRate | H_flow_n_methanation_CH4 | H_flow_n_methanation_H2*0.83 | Approximated nominal power of reactor based on NCV of methane output |
| Fundamental Definitions | |||
| TILMedia.GasTypes.BaseGas | medium (from PartialFixedbedReactorIdealGas_L4) | simCenter.gasModel2 | Medium model |
| Boolean | useHomotopy (from PartialFixedbedReactorIdealGas_L4) | simCenter.useHomotopy | true if homotopy should be used |
| Integer | N_cv (from PartialFixedbedReactorIdealGas_L4) | 1 | Number of control volumes |
| Integer | N_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.PressureDifference | Delta_p (from PartialFixedbedReactorIdealGas_L4) | Total pressure loss over the reactor | |
| Integer | pressureCalculation (from PartialFixedbedReactorIdealGas_L4) | 1 | Method of pressure calculation |
| Geometry | |||
| Real | N_tube (from PartialFixedbedReactorIdealGas_L4) | Number of tubes | |
| SI.Diameter | dia_tube_i (from PartialFixedbedReactorIdealGas_L4) | Inner tube diameter | |
| SI.Length | l (from PartialFixedbedReactorIdealGas_L4) | Length of reactor | |
| Catalyst | |||
| SI.Diameter | dia_part (from PartialFixedbedReactorIdealGas_L4) | Equivalent pellet diameter | |
| SI.VolumeFraction | eps_bed (from PartialFixedbedReactorIdealGas_L4) | Bed porosity | |
| SI.VolumeFraction | eps_cat (from PartialFixedbedReactorIdealGas_L4) | Catalyst porosity | |
| SI.Density | d_cat (from PartialFixedbedReactorIdealGas_L4) | Density of catalyst particle | |
| SI.Density | d_bed (from PartialFixedbedReactorIdealGas_L4) | d_cat*(1 - eps_bed) | Density of fixed-bed |
| SI.SpecificHeatCapacity | cp_cat (from PartialFixedbedReactorIdealGas_L4) | Specific heat capacity of catalyst | |
| SI.ThermalConductivity | lambda_p | 50 | Particle 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 | |
| Integer | ScalingOfReactor | 2 | Chooce by which value the scaling of the reactor is defined |
| SI.MassFlowRate | m_flow_n_Methane | 0.2 | Nominal mass flow rate of methane at the outlet |
| SI.MassFlowRate | m_flow_n_Hydrogen | 0.2 | Nominal mass flow rate of hydrogen at the inlet |
| SI.EnthalpyFlowRate | H_flow_n_Methane | 1 | Nominal enthalpy flow rate of methane at the output based on NCV |
| SI.EnthalpyFlowRate | H_flow_n_Hydrogen | 1 | Nominal enthalpy flow rate of hydrogen at the input based on NCV |
| Statistics | |||
| Boolean | calculateCost | simCenter.calculateCost | true if cost shall be calculated |
Connectors
Components
| Type | Name | Default | Description |
|---|---|---|---|
| TransiEnt.SimCenter | simCenter (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.ModelStatistics | modelStatistics | ||
| Summary | summary | ||
| TransiEnt.Components.Statistics.Collectors.LocalCollectors.CollectCostsGeneral | collectCosts |
Contents
| Name | Description |
|---|---|