### [dumux-course] [biomin] Expand on reaction equations in the biomin README.md for clarity

parent 304bbc4d
 ... ... @@ -57,15 +57,27 @@ Note, that the urease concentration \$`\displaystyle Z_{urease,biofilm}`\$ has a k \$`\displaystyle Z_{urease,biofilm} = k_{urease,biofilm} * mass_{biofilm}`\$ The last step is defining the source term for each component according to the chemical equation: The last step is defining the source term for each component according to the chemical reaction equations: \$`\displaystyle Ca^{2+} + CO(NH)_{2} + 2 H_{2}O -> 2 NH_{4}^{+} + CaCO_{3}`\$ \$`\displaystyle CO(NH_{2})_{2} + 2 H_{2}O -> 2 NH_{3} + H_{2}CO_{3}`\$ which is: \$`\displaystyle Ca^{2+} + CO_{3}^{2-} -> CaCO_{3}`\$ Calcium ion + Urea + 2 Water → 2 Ammonium ions + Calcite Or the total chemical reaction equation, in which the appearence of inorganic carbon species cancels out: \$`\displaystyle Ca^{2+} + CO(NH_{2})_{2} + 2 H_{2}O -> 2 NH_{4}^{+} + CaCO_{3}`\$ which, written in terms of our primary variables are: Urea + 2 Water → (2 Ammonia) + Total Carbon Calcium ion + Total Carbon → Calcite Calcium ion + Urea + 2 Water → (2 Ammonium ions) + Calcite Note that since the chemistry is simplified for this dumux-course example, the component Ammonium is neglected and you thus cannot set its source term, even though it is produced in the real reaction. Similarly, we only account for "Total Carbon", which is the sum of all carbon species (\$`CO_{2}`\$, \$`H_{2}CO_{3}`\$, \$`HCO_{3}^{-}`\$, and \$`CO_{3}^{2-}`\$). ### 3. Make use of your newly created chemical equation ... ...
 ... ... @@ -17,8 +17,8 @@ InitPressure = 1e5 # [Pa] initial pressure InitBiofilm = 0.05 # [-] initial volumefraction biofilm [Injection] InjVolumeflux = 1e-4 # [m³/s] = [ml/min] /[s/min] /[ml/m³] InjBioTime = 12 # [days] InjVolumeflux = 1e-5 # [m³/s] = [ml/min] /[s/min] /[ml/m³] InjBioTime = 10 # [days] InjCO2 = 1e-2 # [kg/s] gasFlux ConcCa = 40 # [kg/m³] injected calcium concentration (max: 50) ConcUrea = 60 # [kg/m³] injected urea concentration (max: 80) ... ...
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!