>home>Papers>Keynote Speakers

 
Alirio Rodrigues

Modelling and Simulation in Chemical Engineering:
Tools for Process Innovation

Prof. Alirio Rodrigues, University of Porto

 

Abstract:

The Chemical Engineering Science movement has been a paradigm of our discipline for about four decades and served well in solving problems at various scales, from micro to macro scales. Ultimately, as Professor R. Sargent pointed out, it would be better if translated in “Scientific Engineering”. In this talk I will present a few examples of Innovation as a combination of Science (Concept), Technology and Process/Product, not necessarily implemented in this order. The first example is Perfusion Chromatography for proteins separation. It is based on the concept of “diffusivity augmented by convection” in large-pore adsorbents and on the technology of fabrication of those packing materials (polymeric/composite beads or monoliths). The modelling at the particle scale illustrates how the foundation of a process can be condensed in a simple equation relating the augmented diffusivity, the diffusivity and the enhancement factor which is a function of the intraparticle Peclet number. The second example- Simulated Moving Bed- is based on a concept developed to overcome the difficulties in implementing True Moving Bed processes in fluid/solid separations (Broughton and Gerhold, UOP). The original technological contributions come from materials (selective adsorbent zeolite) and rotary valve to simulate the solid movement while the solid remains fixed by switching the inlet/outlet ports periodically in the direction of fluid flow. The process is known for more than thirty years in petrochemical industry (Parex process) but recently became a key technology for chiral separations in pharmaceutical industry. Modelling/simulation tools provide sound basis for design/operation of such units by using the concept of “separation volume”. The third example is taken from the area of multifunctional, hybrid, cyclic processes. The SMB technology is extended to the reaction/separation in the same unit (synthesis of diethylacetal in SMBR) and Pressure Swing Adsorptive Reactors (PSAR) for hydrogen production by methane steam-reforming coupled with carbon dioxide adsorption is presented. In solving mathematical models reference is made to available/commercial packages (PDECOL, COLDAE, DASPK, gPROMS) or home-made packages for MFEM (1D/2D).
 

Biography:
Alirio Rodrigues graduated in ChE, Univ Porto in 1968 and is a Dr-Ing from University of Nancy, 1973. He is currently a Professor of Chemical Engineering at the Faculty of Engineering of University of Porto and Director of the Laboratory of Separation and Reaction Engineering of the same University. He is a referee of over 10 scientific journals and a member of the editorial board of Adsorption, The Chemical Engineering Journal, Separation Science and Technology, and Separation and Purification Technology. His current research interests concern the development and understanding of cyclic separation processes: pressure/vacuum swing adsorption (PSA/VSA), simulated moving bed (SMB) and parametric pumping, and the production of high added-value products. He as over 200 refereed publications.