Aqueous Species Card Syntax (-R)
Character string (e.g., van Genuchten, porosity, m^3/s, Roe Superbee)
Integer (no alpha characters, special characters, or punctuation) (e.g., 1, 32, 195634)
Real (decimal points and exponential notation allowed) (e.g., 0, 0.0, 1.e-12, 1.E+3, 2.345)
Keyword (exact formatting required) (e.g., file, ~Solution Control Card, binary file)
It is strongly recommended that the pre-processor, toECKE, distributed with STOMP, be used to create the reactive transport cards used by the ECKEChem Module. This ensures that proper syntax is adhered to and that consistency among cards is maintained.
Card Title
~Aqueous Species Card
Choose one effective diffusion function option
Choose an ion activity coefficient option
Number of Aqueous Species,Constant,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Constant,Species Activity Coefficient,
Repeat for Number of Aqueous Species
Aqueous Species Name,
Number of Aqueous Species,Constant,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),B-dot,
Repeat for number of Aqueous Species
Aqueous Species Name,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),
Number of Aqueous Species,Constant,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Davies,
Repeat for number of Aqueous Species
Aqueous Species Name,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),
Number of Aqueous Species,Constant,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Pitzer,
Repeat for number of Aqueous Species
Aqueous Species Name,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),
External files that contain the database, standard chemical potentials and Pitzer ion-interaction parameters (comp.dat, binaryt.dat, lambda.dat, pcorr.dat, ternary.dat and u0t.dat) must reside in the simulation run directory.
Choose a ion activity coefficient option
Number of Aqueous Species,Conventional,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Constant,Species Activity Coefficient,
Repeat for Number of Aqueous Species
Aqueous Species Name,
Number of Aqueous Species,Conventional,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),B-dot,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Conventional,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Davies,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Conventional,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),Pitzer,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol), External files that contain the database, standard chemical potentials and Pitzer ion-interaction parameters (comp.dat, binaryt.dat, lambda.dat, pcorr.dat, ternary.dat and u0t.dat) must reside in the simulation run directory.
Choose a ion activity coefficient option
Number of Aqueous Species,Empirical,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bConstant,Species Activity Coefficient,
Repeat for Number of Aqueous Species
Aqueous Species Name,
Number of Aqueous Species,Empirical,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bB-dot,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Empirical,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bDavies,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Empirical,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bPitzer,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol), External files that contain the database, standard chemical potentials and Pitzer ion-interaction parameters (comp.dat, binaryt.dat, lambda.dat, pcorr.dat, ternary.dat and u0t.dat) must reside in the simulation run directory.
Choose a ion activity coefficient option
Number of Aqueous Species,Power,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bConstant,Species Activity Coefficient,
Repeat for Number of Aqueous Species
Aqueous Species Name,
Number of Aqueous Species,Power,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bB-dot,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Power,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bDavies,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol),Number of Aqueous Species,Power,Aqueous Molecular Diffusion Coefficient, Units (m^2 /s),coefficient a, coefficient bPitzer,
Repeat for number of Aqueous Species
,Species Charge,Species Diameter, Units (m),Species Molecular Weight, Units (gm/mol), External files that contain the database, standard chemical potentials and Pitzer ion-interaction parameters (comp.dat, binaryt.dat, lambda.dat, pcorr.dat, ternary.dat and u0t.dat) must reside in the simulation run directory.
ECKEChem Input Cards
- Conservation Equations Card
- Equilibrium Equations Card
- Equilibrium Reactions Card
- Gas Species Card
- Kinetic Equations Card
- Kinetic Reactions Card
- Lithology Card
- Solid Species Card
- Species Link Card
- Aqueous Species Card
- Exchanged Species Card
- Plot File Species Variables
- Reference Node Species Variables