model for sorption of protons on clay minerals

[nvgroeni]

Hi everyone,

I'm very new to PHREEQC and I'm trying to construct a model for the sorption of protons on a clay mineral.
I tried to constructed a code for the sorption of protons through CE and surface complexation.

My first question is if I'm right if I define a permament site X- in the SURFACE_MASTER_SPECIES /SURFACE/SURFACE_SPECIES?

Second question is about a problem I have to run the code. I added Ca+2 as background electrolyte but no other cation.
Nevertheless I have this error message:

ERROR: No exchange species found in equation for AlOHX2.

ERROR: No exchange species found in equation for AlX3.

ERROR: No exchange species found in equation for BaX2.

ERROR: No exchange species found in equation for CaX2.

ERROR: No exchange species found in equation for CdX2.

ERROR: No exchange species found in equation for CuX2.

ERROR: No exchange species found in equation for FeX2.

ERROR: No exchange species found in equation for KX.

ERROR: No exchange species found in equation for LiX.

ERROR: No exchange species found in equation for MgX2.

ERROR: No exchange species found in equation for MnX2.

ERROR: No exchange species found in equation for NH4X.

ERROR: No exchange species found in equation for NaX.

ERROR: No exchange species found in equation for PbX2.

ERROR: No exchange species found in equation for SrX2.

ERROR: No exchange species found in equation for ZnX2.

ERROR: No surface master species for surface component X-,



Could someone help me with this. Because I don't understand from where this error comes from.

Thank you.

Natacha

[dlparkhurst]

X is used in phreeqc.dat and other databases to define the exchange species. Using it in SURFACE_MASTER_SPECIES is probably a conflict.

Try using another SURFACE_MASTER_SPECIES name, one that is not in any of the other _MASTER_SPECIES definitions in the database.