Principles of statistical thermodynamics. The stable states of macromolecules. Molecular interactions. Diffusion, reaction kinetics and electrostatic properties related to biomolecular and polymeric systems. Cooperativitiy and binding. Applications of principles of statistical thermodynamics to biological systems and polimers using simple models.
Categories of polymeric materials. Morphology and structuring of polymers; surface properties. Analysis of polymer processing operations such as injection moulding, extrusion, calendering, coating, fiber spinning, tubular film blowing and mixing. Computer modeling and design of polymer processing machinery.
Prerequisite: ChE 414 or consent of the instructor
Atomistic and nano-scale modeling of complex polymer systems. Techniques for brindging the gap between atomistic and coarse-grained simulations. Applications of these techniques to multicomponent, polymeric and biological systems.
Modeling and simulations of biom olecular systems. Sequence-structure-dynamics and function paradigm in proteins. Bioinformatic approaches in sequence analysis and structure prediction. Computer modeling and engineering of protein-DNA and protein-durg binding interactions. Molecular aspects of biochemical and biophysical networks. The relationship between microscopic and macroscopic properties of 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.
Separation and purification of biochemicals. Removal of insolubles by filtration, centrifugation and sedimentation. Isolation of products by adsorption and solvent extraction. Purification by nonlinear multicomponent chromatography, electrophoresis, dialysis and membrane processes. Polishing by drying and crystallization. Mathematical modeling and scale-up of selected operations.
Food raw material properties as related to process effectiveness, preliminary preparation operations (cleaning, sorting, grading), main conversion operations (size reduction, emulsification, mixing, filtration, extraction, crystallization, centrifugation) preservation methods (heat processing, dehydration, freezing, irradiation) applied and some relevant equipment used in food process industries.
Aims of metabolic engineering and examples of applciations. Cellular metabolism and construction of metabolic networks. Transcriptional regulation and signal transduction. Properties of stoichiometric matrix and solution space. Flux balance analysis. Metabolic control analysis.
Fundemental principles associated with different types of catalytic microreactors. Modeling, simulation and operation of microreactors. Microreactor design and construction techniques. Selected applciations of microreactors in industrial processes.
Enviromentally benign catalytic production for energy and materials. Catalysis for mobile and stationary power generation. Adsorbents for hydrogen storage. Catalysts and adsorbents for reduction and prevention of greenhouse gas emissions: methane conversion, carbon dioxide utilization and sequesteration.
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 and mathematical formulation of lumped-parameter and distributed-parameter systems encountered in chemical engineering. Review of analytical and numerical methods used in the solution of ordinary and partial differential equations.
Prerequisites: ChE 201
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.
Introduction to process analysis and conceptual process design via a study of the creation and assessment of processing alternatives, optimization of recycle systems and engineering in the presence of uncertainty.
Feed-forward control, ratio control, cascade control, selective control, internal model control and multivariable control techniques. Computer control of chemical processes.
Review of probability, statistics and optimizaiton. Feasibility, flexibility, and operability. Flexibility targeting and flexibility indexing. Design and operaiton under uncertainty and risk. Flexible design and feasible operaiton. Flexibility maximization and risk minimization for static and dynamic systems via optimization models. Monte Carlo simulation for design under uncertainty. Flexibility and risk assesment and targeting in design and operation.
Optimization of chemical processes under unsteady-state operation. Application of the optimal control theory and numerical algorithms to lumped-parameter and distributed-parameter chemical engineering systems. Iterative and simultaneous solution of differential/algebraic optimization problems. Nonlinear-model-based predictive control of chemical engineering systems
Prerequisite: Consent of the instructor
The widening of students perspectives and awareness of topics of interest to chemical engineers through seminars offered by faculty, guest speakers and graduate students.
Special topics of current interest in chemical engineering technology selected to suit the interests of students and faculty.
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.
Momentum, heat and mass transfer from a unified approach using principles of continuum mechanics and molecular theories. Derivation of the balance laws for fluid, heat and mass transfer using vector and tensor notation. Solutions of resulting differential and integral equations for steady and unsteady state conditions with emphasis on analytical methods. Elementary constitutive equations and their use in solving fluid dynamics problems. Exact solutions by the use of stream functions and potential functions, boundary layer theory and integral averaging techniques; application to isothermal laminar and turbulent fluid flows.
Transient and multidimensional conduction heat transfer in solids. Nonisothermal flow through ducts and past immersed bodies. Approximate solutions by the method of weighted residuals. Derivation of the balance equations for heat and mass transfer in multicomponent mixtures. Applications of the Stefan-Maxwell and the linearized diffusion equations.
Introduction to process analysis and conceptual process design via a study of the creation and assessment of processing alternatives, optimization of recycle systems and engineering in the presence of uncertainty.
General characteristics of solid catalyzed reactors. Transfer effects in multiphase reactors. Reactors employing a fluid phase and a catalytic solid phase in a fixed, moving or a fluidized bed. Catalyst deactivation. Regeneration of catalysts. General characteristics of two-fluid phase reactions. Models for interphase transfer in gas-liquid reactions. Design models for multiphase flow reactors. Reactors with three phases. Noncatalytic gas-solid reactions.
Review of time series analyses; applied stochastic control theory including minimum variance control, LQG control, self tuning control and adaptive control. Generalized predictive control. Current topics in chemical process control.
Review of conventional control. State space basics observabilty, controlability, state variable feedback, Luenberger observer, Lyapunav stability. Multivariable process control. Interaction concept, multivariable controller design, decoupling control. Digital process control, z-transform, difference equations, discrete control algorithms.
Advanced topics of current interest selected to suit the interests of students and faculty.
Research in the field of Chemical Engineering, by arrangement with members of the faculty; guidance of doctoral students towards the preparation and presentation of a research proposal.