The Initial Values node sets the initial values of the dependent variables solved for in the Reaction Engineering interface.
For CSTR, constant mass and
Semi reactor types, in which the reactor volume changes with reaction, an
Initial system volume Vr0 can be set.
In the Volumetric species initial concentration table, the
Species column automatically includes all the species in the model. Enter the corresponding values or expression for each species initially in the
Concentration (mol/m^3) column.
For the Plug flow reactor an
Inlet molar flow rate table is instead shown. Enter the values or expressions representing the inlet conditions of each species in the
Molar flow rate (mol/s) column.
The Surface Species Initial Value table is displayed when surface species are present in the reactor, i.e. when the
Species Type is set to
Surface species for at least one species in the reactor. Enter in the
Surface concentration (mol/m^2) column, the corresponding values or expression for each species initially on the reactive surface area (
Ar) within the reactor. The values in the
Site occupancy number column are by default set to 1, edit the value if a surface species takes up more than one active site on the reactive surface.
The total surface concentration initially is always restricted by the molar amount of available sites on the reactive surface area. This is defined by the Initial density of surface sites γ0 (SI unit: mol/m
2) entry. Make sure that the sum of the entered initial surface concentrations do not surpass the value selected here. Note that the actual surface concentration of each species is the
Surface concentration (mol/m^2) multiplied with the
Site occupancy number. The restriction of the total surface concentration is defined as:
This section is displayed when surface species are present in the model. Set the Reactor area — in other words, the total reactive surface area available in the reactor — here.
