(588dd) Chemical Reaction Simulation under Mixing in Stirred Vessel

All chemical reactions in the real world occur under conditions of non-ideal mixing. Sometimes even a minor variation in the local concentration of reactants may promote adverse side reactions and result in substantial deviation of reaction product composition from the desirable levels. However, the most popular packages for chemical kinetics simulation are based today on the ideal model of a perfectly mixed reactor and cannot give users any information on the impact of non-ideal mixing on chemical kinetics and the resulting concentration of reaction products.

VisiMix® software quantitatively describes non-ideal mixing phenomena in mixing tanks using fundamental physical models based on established theories of fluid mechanics and hydrodynamics, including the approaches of Kolmogorov, Hinze, and Levich built with proprietary deterministic and stochastic mathematical models. This approach is now extended to the unique and innovative software, ChemiMix®, which simulates the dynamics of chemical reactions in tanks with non-ideal mixing.

With the input of basic vessel and impeller geometry, mixing conditions, fluid properties and multiple reaction kinetics, ChemiMix® immediately performs calculations to deliver;

1. Prediction of local concentration for reactants at various points in a mixing tank.
2. Comparison of actual reaction products against predictions for ideally mixed reactors.
3. Scale-up to industrial scale from a process successfully implemented at laboratory scale.
4. Analysis of inlet point position effects, the chemical composition of the inlet flow, and mixing system design on product output.

This paper will illustrate the implementation of this technology to aid in the analysis and scale-up of mixing sensitive reactions.