Thermodynamics — Thermodynamic System and Functions
First create a Thermodynamic System
including the five species needed for this model: hydrogen, methane, benzene, toluene, and biphenyl.
1
On the Reaction Engineering toolbar, click Thermodynamics
and choose Thermodynamic System
.
This starts the Thermodynamic System Wizard.
2
In first step the available phases are shown. Choose Vapor–liquid from the list.
3
Click the Next
button in the window toolbar to proceed to the Select Species window.
4
Type hydrogen in the text field to search among the species. When found, click to select hydrogen (1333-74-0, H2).
5
Click the Add Selected
button to add it to the Selected species list.
6
In the same manner add the following species:
methane (74-82-8, CH4)
benzene (71-43-2, C6H6).
toluene (108-88-3, C7H8).
biphenyl (92-52-4, C12H10).
7
Click the Next
button in the window toolbar to proceed to the Select Thermodynamic Model window.
8
Keep the default Soave-Redlich-Kwong equation of state model.
9
Click the Finish
button. This adds the node Vapor–Liquid System 1
to under Thermodynamics in the Model Builder tree.
Vapor–Liquid System 1 (pp1)
You can now use the added Vapor–Liquid System 1
, to define a mixture function for the enthalpy of formation. This is needed for the heat source in the Reaction Engineering interface.
1
Right-click Vapor–Liquid System 1
and choose Mixture Property
).
2
In the properties list, select Enthalpy of formation (J/mol) and click Add Selected
.
Note that the properties can be searched by typing a property name in the text field at the top.
3
Click Next
in the window toolbar to go to the Select Phase step.
4
Note that the function will be created for the Vapor phase.
5
Click Next
to go to the Select Species step.
6
Click Add All
to add all available species.
7
Click Next
to go to the Mixture Property Overview.
8
Click Finish
in the window toolbar.
Mixture Property: Enthalpy of formation 1
Change the function name to
hF_mixture
.
1
Click to select the created function Enthalpy of formation 1
found under
Thermodynamics
> Vapor–Liquid System 1
> Mixture > Vapor.
2
In the Settings window for Mixture Property, type
hF_mixture
in the Function name text field.
This function will be used in the variable definitions below.