Creating a new surface (kaolinite)

[Tamirian]

Hi everyone,

 I tried to add surface complexations for the kaolinite surface. I followed the SURFACE_MASTER_SPECIES and SURFACE_SPECIES definitions for Hfo in phreeqc.dat as recommended in another post but It did not work.  I have two binding sites on the kaolinite surface (>Al-O and >Si-O) My input data is as follows:


SURFACE_MASTER_SPECIES
    Kaolin_al       Kaolin_alOH         
    Kaolin_si       Kaolin_siOH         

SURFACE_SPECIES
H+ + Kaolin_alOH = Kaolin_alOH2+
    log_k     -3
    delta_h   0 kJ
Kaolin_alOH = Kaolin_alO- + H+
    log_k     -3.8
    delta_h   32 kJ
Kaolin_siOH =Kaolin_siO- + H+
    log_k     -7
    delta_h   32 kJ

SOLUTION 1
    temp      25
    pH        7
    pe        4
    redox     pe
    units     mol/l
    density   1
    Na        0.5
    Cl        0.5
    -water    1 # kg

SURFACE 1
    -sites DENSITY
    Kaolin_siOH     1.15      10        20
    Kaolin_alOH     1.15

I have tried Surf and X and many thing instead of kaolin but it doesn't work. What am I doing wrong here? Please help me!!!

[dlparkhurst]

You need to include these species in SURFACE_SPECIES

Kaolin_alOH = Kaolin_alOH
log_k 0.0

Kaolin_siOH = Kaolin_siOH
log_k 0.0

[Tamirian]

Thank you very much. It worked.