Entering Interaction Parameters

For some systems, you have to consider interaction parameters in order to take excess Gibbs energy into account and correctly model the phase. By default, the software uses a Redlich-Kister expression for the excess Gibbs energy. The coefficient is entered after the constituent array when you use the ENTER_PARAMETER command. In the last section, all the parameters were entered with a coefficient of zero (0).

To take account of the excess Gibbs energy, you might enter the following:

ENTER_PARAMETER L(IONIC_LIQ,ZR+4:ALO2-1,O-2;0) 298.15  +V11+V12*T; 6000 N

ENTER_PARAMETER L(IONIC_LIQ,ZR+4:ALO2-1,O-2;1) 298.15  +V13+V14*T; 6000 N

ENTER_PARAMETER L(IONIC_LIQ,ZR+4:ALO2-1,O-2;2) 298.15  +V15+V16*T; 6000 N

Parameters with interaction coefficients are referred to as interaction parameters. The regular parameter has a coefficient of 0. The subregular parameter has a coefficient of 1. It is possible to interaction coefficients up to a value of 9, but you are advised not to use more than three coefficients (that is, with coefficient values of 0, 1 and 2).