Comparison of simulators for process and aqueous chemistry modeling

Authors

  • Stella Lacour,

    1. Precipitation and Crystallisation Research Facility, Chemical Engineering Dept. University of Cape Town, ZA-7701, Cape Town, South Africa
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  • Rob P. Van Hille,

    1. Precipitation and Crystallisation Research Facility, Chemical Engineering Dept. University of Cape Town, ZA-7701, Cape Town, South Africa
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  • Karen Peterson,

    1. Precipitation and Crystallisation Research Facility, Chemical Engineering Dept. University of Cape Town, ZA-7701, Cape Town, South Africa
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  • Alison E. Lewis

    Corresponding author
    1. Precipitation and Crystallisation Research Facility, Chemical Engineering Dept. University of Cape Town, ZA-7701, Cape Town, South Africa
    • Precipitation and Crystallisation Research Facility, Chemical Engineering Dept. University of Cape Town, ZA-7701, Cape Town, South Africa
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Abstract

The capabilities of four commercial simulators to model precipitation processes is discussed via two case studies: copper(II) sulfide and cobalt(II) carbonate precipitation, respectively. Two approaches were adopted in the modeling, using various existing modeling tools or developing simulation models from an independent critical review of the literature. Simulated results were compared with experimental investigations in order to inform and/or refine model predictions. Results were strongly influenced by the nature and the number of thermodynamic data taken into account in the model. The influence of various parameters on controlling metal solubility have been identified and discussed. This study emphasises the importance of selecting comprehensive and reliable thermodynamic data before modeling a process. © 2005 American Institute of Chemical Engineers AIChE J, 2005

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