Saponification Modeling of an Ester in a Batch Reactor with OpenFOAM
DOI:
https://doi.org/10.70567/mc.v41i13.68Keywords:
Saponification, batch reactor, chemFoam, reactingFoamAbstract
Saponification is a chemical reaction in which an ester reacts with a base in the presence of water to form salts of fatty acids and alcohol. It is studied in a batch-type discontinuous reactor. The reaction rate depends on three key parameters: temperature, reactant concentration, and mixing speed of the mixture. For implementation in OpenFOAM(R), two solvers are used: chemFoam and reactingFoam. chemFoamresolves the chemistry in a concentrated manner, assuming perfect mixing, and provides the ideal evolution of the reaction, allowing the study of its dependence on temperature and initial reactant concentration, but the effect of agitation cannot be evaluated. On the other hand, the reactingFoam solver integrates chemistry with thermofluid dynamics and can analyze a wide range of initial reactor operating conditions. The implementation in reactingFoam was done by keeping temperature and initial concentration constant and varying only the agitator speed to evaluate conversion as a function of agitation level and compare it with experimental data showing that conversion rate decreases with increasing agitation. The numerical results showed good agreement with the experimental ones, but further study is needed on the relationship between turbulence and reaction rate.
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