Amount of residual and reacted minerals

[dat]

Hi there,

I am trying to simulate a model with brine, gas and some minerals (Quartz, Goethite, Albite). In the simulation these minerals may dissolve and some new minerals may form.

I can find the amount of moles of Quartz, Goethite and albite in the output. But what about the moles of newly formed minerals. How to find the amount of those.

Appreciate your support.

[dlparkhurst]

Minerals will not form unless they are included in EQUILIBRIUM_PHASES. So, you need to include all of the minerals that you think may precipitate by including in EQUILIBRIUM_PHASES with target saturation index of 0.0 and moles of 0.0.

Amounts of minerals in EQUILIBRIUM_PHASES can be printed with the -equi option in PRINT. The Basic functions "EQUI" and "EQUI_DELTA" can be used in any Basic program in USER_PRINT, USER_PUNCH, or USER_GRAPH.

[dat]

Thank you for the reply.

If I don't know the target saturation index, and if I want to find the precipitated mol in a given time(Like in 10 years) with kinetic parameters, is that possible?

Because my aim is to find the SI and the formed minerals in a given time.

Thank you.

[dlparkhurst]

If you use EQUILIBRIUM_PHASES, then you must choose a target SI for each mineral. Normally, the target SI is zero, which represents equilibrium. If you have zero moles of a phase, then the mineral will precipitate only when the SI reaches zero. The amount of mineral at any time can be obtained with the EQUI("phase") Basic function.

If you include a mineral in KINETICS, then it will react according to your RATES rate definition. The rate definition is up to you, but normally the definition will approach equilibrium with time. The SI at any time can be obtained with the Basic function SI("phase"), and the amount of kinetic reactant can be obtained with KIN("rate"). In addition, the change in the amount of kinetic reactant over the current calculation can be obtained with the Basic function KIN_DELTA("rate").