Dr Constantinos Theodoropoulos BSc Mathematics, MSc, PhD

Portrait  
Senior Lecturer
Tel: +44 (0)161 306 4386
E-Mail: K.Theodoropoulos@manchester.ac.uk

Recent Publications
 

Roles:
MSc Students' Forum Leader

Profile
Research interests
My research focuses on the multi-scale modelling of chemical and biochemical reactors and reacting flows. The aim is the development and application of novel computational methods and model reduction techniques for bridging the gap between different time- and length-scales for the efficient simulation, design, optimisation and control of complex large-scale reaction-transport processes and of microscopic systems. Of particular interest are hybrid/multi-scale systems where macroscopic (Computational Fluid Dynamics -CFD) and microscopic (Monte Carlo/Molecular Dynamics) models are coupled in order to model phenomena, such as e.g. homogeneous chemical reactions and surface/catalytic reactions, occurring simultaneously at different scales.

Specific applications include Chemical Vapour Deposition (CVD) for the growth of compound semiconductors and optical coatings, multi-scale microreactor design, multi-phase batch and semi-batch reactors, combustion, catalytic processes and biochemical neworks including metabolic pathways.

My research group currently consists of 7 PhD students and 2 post-doctoral associates. A list of undergoing projects is given below:
  • Model-reduction based computational methods for the optimisation of large-scale and multi-scale systems
  • Modelling design and optimisation of batch and semi-batch reactors
  • Multi-scale modelling of microreactors
  • Kinetic modelling of complex chemical and biochemical networks
  • Integrated modelling of Fluid Catalytic Crackers
  • Modelling and design of Fuel Cell systems

Recent
Publications

An input/output model reduction-based optimisation scheme for large scale systems, with E.L. Ortiz, (2005) to appear in Multiscale Modeling and Simulation

Modelling and Optimisation of Distributed-parameter Batch and Semi-batch Reactor Systems, with X. Zheng and R. Smith ESCAPE-15 (2005) L. Puigjaner and A. Espuna (eds.) pp. 1087-1092.

Coarse Bifurcation Studies of Bubble Flow Lattice Boltzmann Simulations, with K. Sankaranarayanan, S. Sundaresan and I.G. Kevrekidis, Chemical Engineering Science, 59(2004) 2357-2362.

Coarse-Grained Equation-Free Multiscale Computation: enabling microscopic simulators to perform system-level tasks, with I.G. Kevrekidis, C. W. Gear, J.M. Hyman, P.G. Kevrekidis, O. Runborg, Communications in the Mathematical Sciences, 1 (2003)

Coarse integration of bubble flows using lattice Boltzmann simulators, 2nd MIT Conference on Computational Fluid and Solid Mechanics, with C.W. Gear, S. Sundaresan and I.G. Kevrekidis, JUN 17-20, 2003 COMPUTATIONAL FLUID AND SOLID MECHANICS, VOLS 1 AND 2, (2003) 1540-1543.

Coarse integration/bifurcation analysis via microscopic simulators: micro-Galerkin methods, with C.W. Gear and I.G. Kevrekidis, Computers and Chemical Engineering, 26 (2002) 941-963.

Effective bifurcation analysis: a time-stepper-based approach, with O. Runborg and I.G. Kevrekidis, Nonlinearity, 15 (2002) 491-511.