Atomic Groups
Use this window to specify the constituent groups for the components in the Gibbs energy minimization.
Usage
Define Atomic Groups
Atomic groups data are optional if only library components take part in the Gibbs energy minimization. Check this box in order to enter data. If non-library components are included in the Gibbs energy minimization, the atomic groups must be defined for all reacting components and the box will already be checked when the window opens.
Atomic Groups
The table contains a list of all the components which are included in the Gibbs energy minimization in the Reacting Components Window. If no components have been excluded in the Reacting Components window, all components selected in the Component Selection Window are included in the table.
The group names default to G1, G2, etc. but may be changed to more meaningful names for the reaction species. Up to 21 groups may be entered.
The stoichiometric amount of each atomic group must be entered in the table for every reacting component. Zero stoichiometric amounts may be left blank.
How to get to this window
The Atomic Groups window is accessed by pressing the User Specified Atomic Groups button on the Solid Fuel Combustion Reactor Data Window.