Calculation module
Speciation Equilibrium Calculations
Please input the following information
Results
| Initial condition | ||
| Temperature: | K | |
| Pressure: | bar | |
| CO2 solubility: | mol/kg | |
| Co-existing phases equilibrium | ||
| Liquid composion | ||
| mH2O: | mol/kg | |
| mCO2: | mol/kg | |
| mNaCl: | mol/kg | |
| Reaction1: H2O + CO2(aq) = HCO3- + H+ Reaction2: HCO3- = CO32- + H+ |
||
| Reaction1 partial volume (ΔV0): |
cm3/mol | |
| Reaction1 compressibility (Δκ0): |
103cm3mol-1bar-1 | |
| Reaction2 partial volume (ΔV0): |
cm3/mol | |
| Reaction2 compressibility (Δκ0): |
103cm3mol-1bar-1 | |
| Equilibrium constants | ||
| pKw: | Kw = aH*aOH/aH2O | |
| Reaction 1 | Reaction 2 | |
| lnKs: | ||
| pK: | ||
|
Note: K1 = (aH*aHCO3)/(aCO2*aH2O) K2 = (aH*aCO3)/aHCO3 |
||
| Reference state | ||
| lnKH for CO2: | bar.kg/mol | |
| Henry’s law constant KH = fCO2(v)/aCO2(aq) | ||
| CO2 partial volume (V0): | cm3/mol |
| Speciation equilibrium | ||
| concentration (m) mol/kg | activity coefficient (γ) | |
| H+: | ||
| OH-: | ||
| CO32-: | ||
| HCO3-: | ||
| Na+: | ||
| Cl-: | ||
| CO2(aq): | ||
| H2O: | ||
| Apparent equilibrium constants | ||
| pH: | ||
| Reaction 1 | Reaction 2 | |
| pK*: | ||
|
Note: K1* = [H][HCO3]/[CO2] K2* = [H][CO2]/[HCO3] |
||
| pKw*: | Note: Kw*= [H][OH] | |
References