Combining models in a
hierarchy
gPROMS Process Training
Combining models in a hierarchy
Combining models in a hierarchy
Methanol synthesis
Background
In a previous exercise, you have developed a mathematical model for a gas-phase continuous stirred
tank reactor for the synthesis of methanol from hydrogen and carbon monoxide. A cooling jacket has
been now added to that model as shown schematically below.
Fin, CO, xin, CO, Tin, CO Fc, Tcin
PI
Fin, H2, xin, H2, Tin, H2
Fc, Tc Fout, xi, T
The heterogeneous gas/solid catalytic reactor system.
The heat transferred from the reactor to the jacket can be calculated from,
𝑄 = 𝑈𝐴(𝑇 − 𝑇 𝑐 )
where Q is the heat transfer rate, U is the overall heat transfer coefficient and A is the heat transfer
area.
Objectives
The aim of this hands-on session is to define submodels for the outlet valve and the cooling jacket and
then add the appropriate links to connect variables between the different models. Specifically, by the
end of this exercise, you should be able to:
• Declare a submodel and access its variables
• Understand how to connect variables in hierarchical models.
Things to do
1. Open the template project file ‘Starter 204 Exercise 1.gPJ’ and save it under a new name.
2. Run the process and observe the results (e.g. temperature, outlet flowrate).
3. Create a new model called cooling_jacket.
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• In the gPROMS language tab, copy and paste the following PARAMETERs from the
gas_phase_CSTR model:
• reactor_height
• reactor_radius
• PI
• Overall_heat_transfer_coefficient
• heat_transfer_area
• coolant_density
• coolant_heat_capacity
• jacket_volume
• Copy and paste UNIT ucf from the gas_phase_CSTR model.
• Copy and paste the following VARIABLEs from the gas_phase_CSTR model:
• temperature
• energy_flux
• Cut and paste the following VARIABLEs from the gas_phase_CSTR model:
• coolant_mass_flowrate
• coolant_inlet_temperature
• coolant_temperature
• Copy and paste the SET expression for heat_transfer_area from the gas_phase_CSTR
model.
• Cut and paste the EQUATIONs for the coolant energy integration and the coolant energy
balance from the gas_phase_CSTR model.
The cooling_jacket submodel is now complete. Next, we need to add links between the cooling_jacket
model and the gas_phase_CSTR model.
4. In the gas_phase_CSTR model define a new UNIT for the cooling_jacket, e.g.
cooling_jacket AS cooling_jacket
5. In the gas_phase_CSTR model create the required links between the cooling_jacket model and the
gas_phase_CSTR model concerning the energy_flux and the temperature in the EQUATION
section as shown below,
energy_flux = cooling_jacket.energy_flux ;
cooling_jacket.temperature = temperature ;
6. Similarly, we are going to create a submodel for the valve. Add a new model called outlet_valve.
• In the gPROMS language tab, copy and paste the following PARAMETERs from the
gas_phase_CSTR model:
• Patm
• valve_constant
• Popen, Pclose
• total_pressure_setpoint
• Copy and paste UNIT ucf from the gas_phase_CSTR model.
• Copy and paste the following VARIABLEs from the gas_phase_CSTR model:
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• outlet_mass_flowrate
• total_pressure
• temperature
• Cut and paste the following VARIABLEs from the gas_phase_CSTR model:
• valve_position
• error
• integral_error
• valve_position_aux
• proportional_gain
• st_st_valve_position
• time_constant
• Cut and paste the SELECTOR ValveState from the gas_phase_CSTR model.
• Cut and paste the EQUATIONs for the Proportional Integral Control Law (i.e. for the
calculation of the error, the integral_error, the valve_position_aux and the valve_position)
and the outlet flowrate from the gas_phase_CSTR model.
The outlet_valve submodel is now complete. Next, we need to add links between the outlet_valve and
the gas_phase_CSTR models.
7. In the gas_phase_CSTR model define a new UNIT for the outlet_valve, e.g.
outlet_valve AS outlet_valve
8. In the gas_phase_CSTR model create the required links between the outlet_valve model and the
gas_phase_CSTR model concerning the outlet_mass_flowrate, the total_pressure and the
temperature as shown below,
outlet_mass_flowrate = outlet_valve.outlet_mass_flowrate ;
outlet_valve.total_pressure = total_pressure ;
outlet_valve.temperature = temperature ;
9. Finally, we need to correct the paths (via the submodels) in the assignment of variables. In the
ASSIGN section of the PROCESS correct the path for the proportional_gain, the
st_st_valve_position and the time_constant to be defined through the outlet_valve model, e.g.
Instead of Reactor.proportional_gain := -171 ;
It becomes Reactor.outlet_valve.proportional_gain := -171 ;
Similarly, the coolant_mass_flowrate and coolant_inlet_temperature should be now defined
through the cooling_jacket model.
10. In the same manner, we should correct the following:
• In the INITIALSELECTOR section, the ValveState should be now defined via the outlet_
valve model:
Reactor.ValveState := outlet_ valve.open ;
• In the INITIAL section, the integral_error should be now defined through outlet_valve model
and the coolant_temperature through cooling_jacket model.
11. Run the process. Observe the temperature and the outlet flowrate profile and compare with the
initial results of the starter file.
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Combining models in a hierarchy
12. You can use the results of the molar fraction profiles shown below as a reference for to ensure your
calculations are correct:
Molar fraction profiles vs. time
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Combining models in a hierarchy
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