Process Modeling and Control

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Particulate Processes

Our research activities in particle manufacturing are focused on emulsion, crystallization, and granulation processes prevalent in the consumer, agricultural, and pharmaceutical product industries.

Experimental Facilities

Batch and semi-batch crystallizers located in the UIUC (Braatz lab) are used to collect experimental data using Focused Beam Reflection Measurement, Process Video Microscopy, ATR-FTIR spectroscopy, laser diffraction, and Raman spectroscopy.

Antisolvent crystallization apparatus showing in-situ sensors

Current Projects

Design and Operation Strategies for Manufacturing Pharmaceutical Emulsions
PIs: Michael Henson, Surita Bhatia and Michael Malone
Sponsors: University of Massachusetts
Student: Neha Raikar
The objective of this project is to develop design and operating strategies that allow the production of monodispersed pharmaceutical emulsions in high pressure homogenizers.

Systems Engineering of Agglomeration in Granulation Processes
PI: Frank Doyle
Sponsors: IFPRI
Student: TBD
The objective of this project is to develop mathematical models for the agglomeration process in granulation, as a function of particle size, moisture content, and porosity.

Monitoring and Modeling of Polymorphic Transformations
PIs: Richard Braatz and Reginald B. H. Tan
Sponsors: Merck, Singapore Agency for Science, Technology, and Research
Student: Kee Chung (Nicholas) Shen
The objective of this project is to develop kinetic models and monitoring systems for solvent-mediated polymorphic transformations, utilizing laser backscattering and ATR-FTIR and Raman spectroscopy.

Optimal Control of Solvent-Mediated Polymorphic Transformations
PIs: Richard Braatz and Min-Sen Chiu
Sponsors: Singapore Agency for Science, Technology, and Research
Student: Martin Wijaya Hermanto
The objective of this project is to develop control systems for batch crystallizers that produce a desired polymorph with desired crystal size distribution, utilizing laser backscattering and ATR-FTIR and Raman spectroscopy.

Multiscale Systems Theory with Application to Electrodeposition and Crystallization Processes
PIs: Richard Braatz and Richard Alkire
Sponsors: National Science Foundation, IBM
Student: Effendi Rusli
The objective of this project is to develop a systems theory that applies down to the molecular scale, with applications to the modeling and control of electrodeposition and crystallization processes using image- and laser-based sensor systems.

Simulation of Mixing Effects in Antisolvent Crystallization using Population Balance Equations Coupled with Computational Fluid Dynamics
Student: Xing Yi Woo
PIs: Richard Braatz and Reginald B. H. Tan
Sponsors: Merck, Singapore Agency for Science, Technology, and Research
The objective of this project is to develop a crystallizer code that simulates effects of nonideal mixing on the crystal size distribution, and to apply this simulation code to design industrial-scale crystallizers.

Selected Publications

M. Fujiwara, P. S. Chow, D. L. Ma, and R. D. Braatz. Paracetamol crystallization using laser backscattering and ATR-FTIR spectroscopy: Metastability, agglomeration, and control. Crystal Growth and Design, 2, 363-370, 2002.

M. Fujiwara, Z. K. Nagy, J. W. Chew, and R. D. Braatz. First-principles and direct design approaches for the control of pharmaceutical crystallization. J. of Process Control, 15, 493-504, 2005.

E.P. Gatzke and F.J. Doyle III, "Model Predictive Control of a Granulation System Using Soft Output Constraints and Prioritized Control Objectives", Powder Technology, 121, 149-158, 2001.

R. Gunawan, I. Fusman, and R. D. Braatz. High resolution finite volume methods for simulating multidimensional population balance equations with nucleation and size-dependent growth. AIChE J., 50, 2738-2749, 2004.

C. Immanuel and F.J. Doyle III, "Solution Technique for a Multi-Dimensional Population Balance Model Describing Granulation Processes", Powder Technology, in press.

T. Togkalidou, H.-H. Tung, Y. Sun, A. Andrews, and R. D. Braatz. Solution concentration prediction for pharmaceutical crystallization processes using robust chemometrics and ATR FTIR spectroscopy. Org. Process Res. Dev., 6, 317-322, 2002.

T. Togkalidou, H.-H. Tung, Y. Sun, A. Andrews, and R. D. Braatz. Parameter estimation and optimization of a loosely-bound aggregating pharmaceutical crystallization using in-situ infrared and laser backscattering measurements. Ind. Eng. Chem. Res., 43, 6168-6181, 2004.