‌Reactor Engineering; Transport-Kinetic Integration; Advanced Measurement and Computational Techniques

Molecular simulations of biological molecules at liquid/solid interfaces, light and neutron scattering of biological molecules, the molecular basis of disease, purification of biomacromolecules

Peptide and proteins at interfaces: The main focus of our current research efforts in this area is the study of peptides at solid/liquid interfaces.  Both experimental and theoretical approaches are pursed in our group.  The use of dynamic and static light scattering for the study of proteins and tailored peptides in solution is routine in our laboratory.  This work is supplemented by neutron diffraction and neutron reflectivity studies performed at Oak Ridge National Laboratory.  The experimental work is supported (and interpreted) by using atomic level molecular simulations.  We are currently focusing our efforts on the study of surface-induced polypeptide aggregation.  This work is aimed at the understanding of the formation of amyloid deposits.

Purification of biomacromolecules:  The focus of our current research in this area is the study of the effect of glycosylation on the stability of monoclonal antibodies and other proteins.  A key component of our work is the experimental determination of second viral coefficients and their interpretations using statistical thermodynamics to quantify the effect of glycan groups on the potential of mean force of biomacromolecules.

The area of research is interfacial phenomena with emphasis on non-equilibrium effects.  Fluid mechanics of a liquid displacing another fluid on a solid surface (“wetting kinetics”) shows that all stresses are infinite at the contact line.  Removal of this singularity requires the use of a reasonable slip velocity and slip velocity has been used to obtain the rates of movement of the leading edge (“contact line”) in a variety of problems over years.  These cases where the liquid spreads on its own, and at very low speeds, are called spontaneous spreading.  At present time the case of forced spreading is being analyzed.  Another area of research is that of mass transfer in surfactant systems.  Typical one key component of detergency is that of solubilization where water insoluble oils are included into the surfactant micelles.  Investigations into kinetics of solubilization also takes one into the kinetics of the contact line above.

Adsorption, Energy Efficient Separation Processes, Process Design, Modeling and Optimization

Our research focus broadly lies at the interface of chemical, materials science and environmental engineering, where the general goal of our work is to develop advanced materials and processes for clean energy and sustainable chemical processes. In particular, our research relates to fundamental and applied aspects of adsorption, separations, purification and reaction. The research activities include: 1) structured adsorbents in gas separation processes; 2) modeling and simulation of cyclic separation processes such as PSA, TSA, VSA; 3) development of hybrid materials for separation, purification and reaction applications; 4) liquid phase adsorptive separation and purification.

Hybrid energy systems, Fuels combustion and gasification, Industrial gas flare design, operation, and regulation, Process modeling, monitoring, control, and operation

Dr. Joseph D. Smith currently holds the Laufer Endowed Energy Chair and also serves as Director of the Energy Research and Development Center at Missouri University of Science and Technology.  He has been developing hybrid energy systems that integrate nuclear energy with chemical and petrochemical processes to produce liquid fuels and chemicals.  Clean carbon free nuclear heat is used with high temperature steam electrolysis to replaces traditional steam methane reforming.  Hybrid Energy Systems represent transformational energy technology that supports national energy security.

Composite Nanoparticles, Complex Fluids, Porous Media, Food Engineering, Biomolecular Transport and adsorption, Molecular Modeling and Simulation Methodologies

Dr. Wang’s research interests and activities are centered around molecular modeling and simulations of systems with complex structures and dynamics.  The essence of this computational approach is to study various properties and processes through atomistically constructed model systems, computer simulations, thermodynamic analyses, and statistical mechanics.  It is particularly beneficial for complementing conventional methods to study multiscale systems with microstructures and interfaces.  Our current applications include complex nanofluids, design and characterization of porous media, transfer phenomena in porous and interfacial systems, protein stabilization, and nanotribology.  We are also interested in devising new algorithms to expand the capabilities of molecular modeling and simulation methodologies.