[Kinetic Calcite]

I am trying to model the kinetic dissolution of limestone using Kinetic Calcite. The specific command I am using is:

 

75 gram of Calcite by kinetic rate law

Rate law = "rate_con * surface * (0.30*molality('CO3--')/Ksp - molality('Ca++'))"

Rate constant = 2.7e-6 mol/cm2 sec

Specific surface area = 3.37 cm2/g

 

REACT runs for some time and seems to end normally. However, the printd output (View Results) only contains information for Step 0. (See below)

 

I am wondering what is causing this - This is the first time I have used the kinetic part of REACT, so please let me know if I did something dumb so that i can correct.

output and input below (in that order) --

 

OUTPUT

Step # 0 Xi = 0.0000

Time = 0 secs (0 days)

 

Temperature = 25.0 C Pressure = 1.013 bars

pH = 6.250

Ionic strength = 0.002195

Activity of water = 0.999937

Solvent mass = 1.000000 kg

Solution mass = 1.000104 kg

Solution density = 1.013 g/cm3

Chlorinity = 0.001790 molal

Dissolved solids = 104 mg/kg sol'n

Rock mass = 0.075000 kg

Carbonate alkalinity= 0.54 mg/kg as CaCO3

 

moles moles grams cm3

Reactants remaining reacted reacted reacted

----------------------------------------------------------------------------

Calcite 0.7493 0.0000 0.0000 0.0000

 

Kinetic rate const. sp. surface net surface rxn rate

mineral rxns (mol/cm2 s) area (cm2/g) area (cm2) (mol/kg sec)

----------------------------------------------------------------------------

Calcite 2.000e-006 3.370 252.7 1.#IO

 

No minerals in system.

 

Aqueous species molality mg/kg sol'n act. coef. log act.

---------------------------------------------------------------------------

Cl- 0.001787 63.34 0.9490 -2.7706

Na+ 0.0009999 22.99 0.9498 -3.0224

Ca++ 0.0003970 15.91 0.8180 -3.4884

CO2(aq) 1.341e-005 0.5900 1.0000 -4.8726

HCO3- 1.080e-005 0.6591 0.9501 -4.9886

CaCl+ 2.906e-006 0.2195 0.9498 -5.5591

H+ 5.900e-007 0.0005946 0.9531 -6.2500

CaHCO3+ 5.847e-008 0.005910 0.9506 -7.2551

NaCl 4.051e-008 0.002367 1.0000 -7.3925

OH- 1.931e-008 0.0003283 0.9494 -7.7368

NaHCO3 1.312e-008 0.001102 1.0000 -7.8820

(only species > 1e-8 molal listed)

 

Mineral saturation states

log Q/K log Q/K

----------------------------------------------------------------

(only minerals with log Q/K > -3 listed)

 

Gases fugacity log fug.

-----------------------------------------------

Steam 0.03131 -1.504

CO2(g) 0.0003800 -3.420

 

In fluid Sorbed Kd

Original basis total moles moles mg/kg moles mg/kg L/kg

-------------------------------------------------------------------------------

Ca++ 0.000400 0.000400 16.0

Cl- 0.00179 0.00179 63.4

H+ 1.40e-005 1.40e-005 0.0141

H2O 55.5 55.5 1.00e+006

HCO3- 2.43e-005 2.43e-005 1.48

Na+ 0.00100 0.00100 23.0

 

Elemental composition In fluid Sorbed

total moles moles mg/kg moles mg/kg

-------------------------------------------------------------------------------

Calcium 0.0004000 0.0004000 16.03

Carbon 2.429e-005 2.429e-005 0.2917

Chlorine 0.001790 0.001790 63.44

Hydrogen 111.0 111.0 1.119e+005

Oxygen 55.51 55.51 8.880e+005

Sodium 0.001000 0.001000 22.99

 

INPUT:

 

 

Options: Debye-Huckel

 

Reaction runs from 0 days to 1 days

Temperature is 25 C

Thermo dataset: c:\program files\gwb\gtdata\thermo.dat

Basis is:

H2O 1 free kg

CO2(g) (swapped for HCO3-) .00038 fugacity

Na+ .001 molarity

Cl- .001 molarity (charge balance species)

Ca++ 4e-4 molarity

H+ 6.25 pH

Reactants:

75 gram of Calcite by kinetic rate law

Rate law = "rate_con * surface * (0.30*molality('CO3--')/Ksp - molality('Ca++'))"

Rate constant = -2e-6 mol/cm2 sec

Specific surface area = 3.37 cm2/g