School of Chemical Sciences   |   College of Liberal Arts & Sciences  |   College of Engineering

 

Richard D. Braatz

Richard D. Braatz

Contact Information:
e-mail:
phone: (217) 333-5073
fax: (217) 333-5052

293 RAL
MC-712, Box C-3
600 S. Mathews Ave.
Urbana, IL 61801

Millennium Chair
B.S., Oregon State University, 1988
M.S., California Institute of Technology, 1991
Ph.D., California Institute of Technology, 1993

Multiscale Systems and Control

New applications in materials, medicine, and computers are being discovered where the control of events at the molecular and nanoscopic scales is critical to product quality, although the primary manipulation of these events during processing occurs at macroscopic length scales. This drives our research program in the creation of methods for the simulation, design, and control of multiscale systems that have length scales ranging from the atomistic to the macroscopic.

Materials

Applications include lithium-ion batteries, nanobiosensors, and semiconductor devices. Novel electrodes with spatially varying microstructure are being designed to increase energy utilization in lithium-ion batteries. Mechanistic models are being developed for reaction networks involving organic chemicals and single-walled carbon nanotubes, for use in the design of nanotube-based biosensors with enhanced selectivity and sensitivity. In semiconductor devices, mechanistic models are used to optimize the manipulation of surface defects during rapid thermal annealing to decrease transistor junction depths while increasing electrical activation. These materials applications are in collaboration with experimentalists who validate model predictions and system designs.

Biomedical/pharmaceutical

Applications include the modeling and design of biodegradable polymeric drug delivery systems (in collaboration with Prof. D. Pack) and the formation of high quality protein or pharmaceutical crystals from solution. For drug delivery, our goal is to model the relationship between the polymer geometry, molecular weight distribution, and microstructure to the release of drugs or growth factors, and to use these models to optimally design drug delivery systems to achieve a desired temporal and spatial release. In our crystallization effort, we are developing an integrated approach to control crystal formation that includes (i) simulating the nucleation, growth, and aggregation of crystals including the effects of micro- and macromixing, (ii) utilizing video microscopy, laser backscattering, ATR-FTIR, and Raman spectroscopy for the in-situ measurement of the size, shape, and polymorphism of crystals during crystal formation, and (iii) designing algorithms to control the properties of the product crystals.
 

Selected Publications

N. C. S. Kee, R. B. H. Tan, and R. D. Braatz, "Selective crystallization of the metastable alpha-form of L-glutamic acid using concentration feedback control," Crystal Growth & Design, 9, 3044-3051 (2009).

X. Y. Woo, R. B. H. Tan, and R. D. Braatz, "Modeling and computational fluid dynamics-population balance equation-micromixing simulation of impinging jet crystallizers," Crystal Growth & Design, 9, 156-164 (2009).

Z. Zheng, R. Stephens, R. D. Braatz, R. C. Alkire, and L. R. Petzold, "A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition," Journal of Computational Physics, 227, 5184-5199 (2008).

C. T. M. Kwok, K. Dev, E. G. Seebauer, and R. D. Braatz, "Maximum a posteriori estimation of activation energies that control silicon self-diffusion," Automatica, 44, 2241-2247 (2008).

N. Nair, W. -J. Kim, R. D. Braatz and M. S. Strano, "Dynamics of surfactant-suspended single-walled carbon nanotubes in a centrifugal field," Langmuir, 24, 1790-1795 (2008)

E. G. Seebauer, K. Dev, M. Y. L. Jung, R. Vaidyanathan, C. T. M. Kwok, J. W. Ager, E. E. Haller, and R. D. Braatz, "Control of defect concentrations within a semiconductor through adsorption," Physical Review Letters, 97, 055503 (2006).

E. J. Hukkanen, J. A. Wieland, A. Gewirth, D. E. Leckband and R. D. Braatz, "Multiple-bond kinetics from single-molecule pulling experiments: Evidence for multiple NCAM bonds," Biophysical Journal, 89, 3434-3445 (2005).