Graduate Courses

Atomistic and nano-scale modeling of complex polymer systems. Techniques for bridging the gap between atomistic and coarse-grained simulations. Applications of these techniques to multicomponent, polymeric and biological systems.

Structural and configurational properties of polymer chains. Random walk approach, freely jointed chain models. Rotational Isomeric State formalism. Stochastics of rotational motions, Monte Carlo and Molecular Dynamics simulations of real polymeric systems in solution and in the bulk state.

Elementary steps and mechanisms of reactions. Theory of reaction rates, collision theory, potential energy surfaces, transition state theory, unimolecular and bimolecular reactions. Estimation of thermochemical and kinetic parameters using empirical techniques and quantum mechanical calculations.

Analysis of natural sustainable energy resources: agricultural, biomass, solar, wind, geothermal and other resources. Existing and near-future sustainable energy technologies. Economical analysis of sustainable technologies. Legal, social and environmental aspects. Basic design of sustainable energy conversion processes.

Review of statistical principles as applied to chemical engineering problems. Linear and non-linear regression analysis. Factorial and optimal designs of experiments. Multivariate statistical process analysis. Time series analysis and forecasting methods.

Modeling of stagewise processes and the solutions of resulting difference and difference differential equations by operator and Z-transform methods. Applications of the theory of matrices to chemical engineering processes. Operator theoretic methods and their use in solving problems of transport phenomena and chemically reacting systems.

Review of probability, statistics, and optimization. Feasibility, flexibility, and operability. Flexibility targeting and flexibility indexing. Design and operation under uncertainty and risk. Flexible design and feasible operation. Flexibility maximization and risk minimization for static and dynamic systems via optimization models. Monte Carlo simulation for design under uncertainty. Flexibility and risk assessment and targeting in design and operation.

The widening of students' perspectives and awareness of topics of interest to chemical engineers through seminars offered by faculty, guest speakers and graduate students.

Biophysical principles of biomolecular machines. Conformation energy landscape. Protein structure, dynamics and function. Binding, allostery and evolution; concepts and models. Computational methods to protein dynamics and mechanism of action; molecular simulations, elastic network models, and hybrid computational model and simulations with enhanced sampling techniques.

Recent advances in theoretical and experimental approaches for the investigation of polymeric systems. Statistical mechanics of homogeneous and heterogeneous systems. Advanced methods for the characterization of molecular structure and properties. Segmental orientation in polymer networks and liquid crystalline materials. Techniques and approaches for high technology materials design.

An advanced study of fundamental concepts in classical and molecular thermodynamics. Solution thermodynamics, vapor-liquid and liquid-liquid equilibria, and chemical reaction equilibria in multicomponent systems; estimation of related thermodynamic properties.

An advanced computational study of multicomponent vapor-liquid and liquid-liquid equilibrium systems. Computer calculations of nonidealities in gas and liquid phases using theories of molecular thermodynamics.

Modeling linear and nonlinear liquids with a deflecting interface. Jump conditions; physical properties at the interface. Formulation of interfacial conditions. Solution to mass, momentum, and constitutive equations. Perturbation methods and linear stability analysis; applications to various problems including Rayleigh jet, Rayleigh-Taylor instability, and other problems.

Fundamentals of heterogeneous catalytic reaction systems with emphasis on the interaction of chemical and physical rate processes. Microkinetic analysis of solid-catalyzed reactions with and without external and/or internal heat and mass transfer resistances at the particle level. Macrokinetic analysis of two-phase catalytic reactors including design and simulation of fixed-bed reactors by pseudohomogeneous and heterogeneous models; scale up strategies. Introduction to two-phase catalytic micro-structured reactors and design by numbering up.

Review of conventional control. State space basics observability, controlability, state variable feedback, Luenberger observer, Lyapunov stability. Multivariable process control. Interaction concept, multivariable controller design, decoupling control. Digital process control. z-transform, difference equations, discrete control algorithms.