Hello Dr. Parkhurst
I am trying to create my own database by modifying the existing Minteq.dat.
I have added a new surface species trying to mimic the complexation of
cationic metals with humic or fulvic acids and I have not added or altered
anything else in the database. When I hit RUN, the program comes back with
this error as seen in my output file:
DATABASE C:\Program Files\USGS\Phreeqc Interactive 2.4.2 Alpha\adrHAone.dat
ERROR: DATABASE must be the first keyword in the input file.
TITLE Fulvic acids.--Cu complexation with Fulvics using WHAM constants
SURFACE_SPECIES
Fulvic_cOH = Fulvic_cOH
log_k 0.0
Fulvic_pOH = Fulvic_pOH
log_k 0.0
Fulvic_pOH = Fulvic_pO- + H+
log_k -9.64
Fulvic_cOH = Fulvic_cO- + H+
log_k -4.02
Fulvic_cOH + Cu+2 = Fulvic_cOCu+ + H+
log_k -1.5
Fulvic_pOH + Cu+2 = Fulvic_pOCu+ + H+
log_k -0.8
SURFACE 1
Fulvic_cOH 0.0033 600 0.01
Fulvic_pOH 0.0017
diffuse_layer 1e-008
This is my surface master species as it is in the database:
SURFACE_MASTER_SPECIES
Hfo_s Hfo_sOH
Hfo_w Hfo_wOH
Fulvic_c Fulvic_cOH
Fulvic_p Fulvic_pOH
I do not see where I am going astray. I think that I have all of the
necessary keywords and master species and I have tried changing the
database name but nothing seems to work. Do you know how I can fix this
error?
Thank you
Aaron Redman
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