There are various macros to define user define function to incorporate the chemical reaction but as i am dealing with the gas-liquid chemical reaction and i can not find any such category of chemical reaction in ANSYS UDF manual.... For reference I have attached a screenshot of a research article.
Can anyone please help me to define a UDF to incorporate the reaction kinetics in Ansys Fluent?
I don't use ASYS software. My favorite software for kinetic modeling is COPASI.
I would write the mechanism as following
CO2(g) = CO2
CO2 + H2O = H2CO3 (the rate constant must be known)
H2CO3 + H2O = HCO3- + H3O+ pKa is known
HCO3- + H2O = CO3-- + H3O+ pKa is known
2 H2O = HO- + H3O+ , [HO-]*[H3O+] = 1e-14
MeA + H2O = MeAH+ pKa is known
The solubility of CO2 in water is low, therefore I doubt that the reaction (11) takes place.
If you have CO2 in the gas phase and the volume of the gas phase is significantly larger than that of the solution, then you can assume at under vigorous stirring [CO2] ~ constant
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