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M. Michaud et al.
Fig. 17a leads to exemplary behavior shown in Fig. 17b for the course and the fine
fraction at the end of the separator. The data are based on an exemplary process
temperature of 40 °C and a ripening time of 2.5 h. The influence of the chosen
separation size can be seen in the temporal evolution of fines and coarse fractions,
which drop initially and afterwards rise again until a stationary state is reached.
8 Conclusion
A widely applicable tool for modeling precipitation processes in aqueous phase
is presented. The tool encompasses several individual modules, such as, mixing,
hydrochemistry, and solid formation. All modules are designed to ensure minimum
numerical effort and maximum flexibility in terms of material systems, complexity
of material, additional hydrochemical species and solid formation processes. To
account for multiple solid phases, the present equations have been extended to cover
multi-phase aggregation. The two-dimensional model is capable of simulating multiphase and multi-component precipitation with bivariate properties. The model was
applied to various particle systems such as mixing-controlled BaSO 4 and reactioncontrolled ZnO formation. Complex applications include methanol catalyst precursor
formation on the basis of Cu and Zn where up to 30 chemical reactions were included
in the hydrochemistry model. As well as the formation of iron oxide pigments such
as FeOOH nanorods, an anisotropic particle system with a non-classical growth
mechanism.
The variety of the given examples illustrates the flexibility of the tool, which
allows it to be applied to a wide range of particle formation processes. The modified bivariate code retains its flexibility, which is important to ensure applicability to
anisotropic particulate systems. Simulation of bivariate systems is possible for manifold different geometries and thus allows addressing increasingly complex structures.
This integrated model is the framework to simulate and to optimize reaction- and
mixing-controlled precipitation processes with up to two independent parameters
and will thus pave the way for advanced particle properties tailored to the needs
of the later application. This will become important for various pressing issues in
the field of particle technology such as process design, scale-up and process optimization for particles of complex composition or non-spherical shape. The truly
two-dimensional model is capable of calculating a multi-phase precipitation process
with bivariate properties.
Acknowledgements The authors gratefully acknowledge financial support of Deutsche
Forschungsgemeinschaft (DFG) in the scope of SPP 1679 (Dynamic Simulation of Interconnected
Solids Processes) coordinated by Prof. S. Heinrich.
M. Michaud et al.
Fig. 17a leads to exemplary behavior shown in Fig. 17b for the course and the fine
fraction at the end of the separator. The data are based on an exemplary process
temperature of 40 °C and a ripening time of 2.5 h. The influence of the chosen
separation size can be seen in the temporal evolution of fines and coarse fractions,
which drop initially and afterwards rise again until a stationary state is reached.
8 Conclusion
A widely applicable tool for modeling precipitation processes in aqueous phase
is presented. The tool encompasses several individual modules, such as, mixing,
hydrochemistry, and solid formation. All modules are designed to ensure minimum
numerical effort and maximum flexibility in terms of material systems, complexity
of material, additional hydrochemical species and solid formation processes. To
account for multiple solid phases, the present equations have been extended to cover
multi-phase aggregation. The two-dimensional model is capable of simulating multiphase and multi-component precipitation with bivariate properties. The model was
applied to various particle systems such as mixing-controlled BaSO 4 and reactioncontrolled ZnO formation. Complex applications include methanol catalyst precursor
formation on the basis of Cu and Zn where up to 30 chemical reactions were included
in the hydrochemistry model. As well as the formation of iron oxide pigments such
as FeOOH nanorods, an anisotropic particle system with a non-classical growth
mechanism.
The variety of the given examples illustrates the flexibility of the tool, which
allows it to be applied to a wide range of particle formation processes. The modified bivariate code retains its flexibility, which is important to ensure applicability to
anisotropic particulate systems. Simulation of bivariate systems is possible for manifold different geometries and thus allows addressing increasingly complex structures.
This integrated model is the framework to simulate and to optimize reaction- and
mixing-controlled precipitation processes with up to two independent parameters
and will thus pave the way for advanced particle properties tailored to the needs
of the later application. This will become important for various pressing issues in
the field of particle technology such as process design, scale-up and process optimization for particles of complex composition or non-spherical shape. The truly
two-dimensional model is capable of calculating a multi-phase precipitation process
with bivariate properties.
Acknowledgements The authors gratefully acknowledge financial support of Deutsche
Forschungsgemeinschaft (DFG) in the scope of SPP 1679 (Dynamic Simulation of Interconnected
Solids Processes) coordinated by Prof. S. Heinrich.