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Floriana Monterroza
Presentation of representative examples of chemical processes. Definition of raw material, process and product. Presentation of chemical processes as interdependent sequences of operations and main pieces of equipment of the process industry. Usual parameters for the description of process flows: composition, temperature, pressure, density, viscosity. Dimensions, unities and unit systems.
Chemical equilibrium and phase equilibrium. Chemical potential. Basic concepts and definitions: kinetic, potential and internal energy, heat and work. State functions. Reversible and irreversible processes. Heat capacities under constant pressure and volume. Formulation of the First Law of Thermodynamics for flow systems.
Quantity of motion balance. Laminar and turbulent flow in ducts. Fundamentals of Fluid Rheology. Charge loss in pipes. Centrifuge pump. Boundary layer. Classic equations of fluid mechanics, heat and mass transfer. Means of transport of thermal energy and mass: equations of rates for conduction, convection and radiation for thermal transport. Definition of mass and molar flow. Mass diffusivity. Heat and mass transfer coefficients.
Mass and energy balances. Formulation and application of the Law of Conservation of Mass and Energy to physical and chemical processes. Mass balances: global and by components. Conceptualization of systems and processes: batch, semi-batch and continuous; permanent and transient regimes; concentrated and distributed systems. Processes with reaction systems. Homogeneous and heterogeneous kinetics. Consecutive and parallel reactions, limiting reagent, conversion, degree of advancement of the reactions, percent excess, selectivity and performance.
Introduction. Basic laws of thermodynamics. Microscopic view of energy and entropy. Thermodynamic potentials and auxiliary variables (Legendre transformations), basic relations and equilibrium criteria. Canonical, microcanonical and grand canonical partition functions. Volumetric and calorimetric properties. Phase equilibrium: partial molar properties. Chemical potential. Fugacity and fugacity coefficient in mixtures through equations of state. Fugacity of liquid and solid mixtures through excess free energy. Phase equilibrium and stability method. Algorithms for calculation of equilibrium of multicomponent systems (emphasis on VLE). Chemical equilibrium criteria. Calculation of equilibrium constants. Chemical equilibrium in homogeneous systems. Chemical and phase equilibrium (heterogeneous systems). Calculation of system equilibrium with several reactions through direct minimization of free energy.
Phase stability: local and global criteria. Equilibrium calculation: chemical and/or phase equilibrium - modern flash algorithms. Saturation points. Phase diagrams: tracing and characteristics of different types of diagrams. Critical point: characterization and calculation algorithms. Equations of State: virial and its extensions. Van der Waals and its extensions. Solutions theories: Van Laar, Regular Solution, Flory-Huggins. Chemical theories of solution. Local composition models - Wilson, NRTL, UNIQUAC, UNIFAC. Application of local composition models for the obtention of mixtures rules for equations of state. Solubility of solids and gases in liquids. Thermodynamic Formalism for semi-continuous mixtures. Vapor-liquid Equilibrium in the presence of electrolytes.
Reaction systems of polymerization, homogeneous and heterogeneous. Polymerization mechanisms and kinetics. Distribution of molecular weighs and particle sizes in condensation and chain polymerization processes (through free-radical, ionic, coordination). Diffusive effects. Polymerization in suspension and emulsion. Polymerization reactors. Experimental characterization methods.
Basic concepts: nature and characterization of macromolecules and polymeric systems. Polymer industry and the Brazilian market. Classification and properties of polymers according to molecular structure, topology of mers and supramolecular morphology: copolymers, segmental mobility, spatial isomerism, crystallinity, etc. Thermal and mechanical transitions. Polymer solutions and permeability. Polymer characterization techniques. Polymerization as a process. Step and chain polymerization. Classic kinetics of free radicals. Copolymerization. Kinetics of heterogeneous, Ziegler Natta and metallocene polymerization. Homogeneous and heterogeneous reaction systems (suspension, dispersion, emulsion, mud). Tehcnological problems in polymerization systems. Polymer processing (extrusion, calendering, molding).
The reduction of environmental impact related to industrial and urban growth is obtained through the use of advanced separation processes or the combination of different processes. Membrane separation processes such as reverse osmosis and microfiltration, the combination of these with biological processes, such as bioreactors with membranes, or with traditional unit operations have been implemented in large scale, in general, aiming at effluent reuse. This course presents the most utilized membrane separation processes, as well as their combination with biological and traditional processes. Membrane processes still in implementation phase, such as pervaporation and gas separation are also presented.
Classification of membrane processes and their applications. Preparation techniques of different kinds of polymer membranes. Transport mechanisms and models. Kinds of modules and their main characteristics. Reverse osmosis and ultrafiltration: theoretical fundamentals, membrane synthesis by phase inversion; influence of synthesis variables on the transport characteristics of membranes. Concentration Polarization. Influence of operational variables; applications. Project for a specific application. Pervaporation and gas separation: theoretical fundamentals; synthesis of dense and composite membranes. Influence of operational variables. Project for a specific application.
Description of surface and interface, thermodynamics of surfaces. Surfaces and forces. Ionic and covalent solids. Physical and chemical adsorption forces. Gas-solid interface: physical adsorption of gases and vapors, isotherms, adsorption heat, capillary condensation. Chemisorption: mechanism, distinction between chemical and physical adsorption. Liquid-solid interface: isotherms, dilute solutions, preferential adsorptions, surface chemistry aspects in chromatography. Electrical aspects of surfaces. The Electrical Double Layer Theory. Electrokinetic phenomena.
Superficial segregation. Definition and characteristics of interfaces. Interfacial orientation and excess. Interfacial segregation theoretical prediction. Characterization of surfaces by chemisorption. Examples of segregation: Alloys. Polymeric mixtures. Experimental quantification of the superficial composition (Chemisorption and XPS). Solid/liquid adsorption. Forces involved in adsorption. Adsorption isotherms. Examples of applications. Experimental development for determination of kinetics and construction of adsorption isotherms.
Introduction to the numerical methods of discretization: Finite Differences, Finite Volumes, Finite Elements, Spectral Methods, Generalized Integral Transform Method. Properties of the discretized equations. Finite volumes: simulation of diffusive processes. Interactive methods for the solution of systems of algebraic equations. Temporal integration: implicit and explicit methods. Method of lines. Equations of fluid motion. Simulation of convective processes. Interpolation functions. Simulation of flow: segregated solution and pressure-velocity coupling. Mismatched and collocated pipeline systems. Simulation of flow with heat and/or mass transfer. Introduction to the solution of hyperbolic systems: TVD and ENO methods. Solution of the advection equation.
Complex and simple reaction rates in a homogeneous system. Determining steps. Enzymatic process kinetics; notions of enzyme kinetics, Michaelis-Menten model and its variants, product inhibition models. Polymerization process kinetics; basic growth mechanisms in polymerization reactions, polycondensation reactions kinetics, addition reaction kinetics (chain reactions). Kinetics of reactions in heterogeneous systems; rate equation models considering adsorption, reaction and desorption in isolated particles, determining step, global reaction rates in a gas-solid system: inter- and intraparticle heat and mass transfer, determining step, reaction rates in two- and three-phase systems.
The isolated particle: heat and mass transfer. Adsorption and chemical reaction. Modeling for non-porous solids. Controlling steps. Non-isothermal systems. Modeling for porous solids. Controlling steps. Langmuir-Hinshelwood rate expressions. Experimental techniques.
Basic concepts and definitions. Adsorption. Adsorption isotherms. Preparation of catalysts: precipitation, impregnation, drying, calcination, reduction. Catalyst forms. Physicochemical characterization: nature of the structure, texture, active surface, electronic properties. Sensitive and insensitive reactions. Evaluations. Selectivity and activity. Applications in selective hydrogenation processes, C1 chemistry and reformation.
Forms of pollution. Quality standards. Characterization of domestic and industrial effluents. Forms of primary treatment (grating, decantation, neutralization/equalization). Biological treatment of effluents. Modeling of bacterial growth, substrate consumption and oxygen consumption. Aerobic processes: activated sludge and its variants. Aerated lagoons, biological filters and discs. Treatment of effluents: fundamentals; kinds of digesters (UASBR, AF, FFAR). Biological nitrogen removal. Phosphorus removal.
Fundamentals of biochemistry and microbiology: general aspects and metabolic ways for making products of industrial interest. Kinetics of microbial growth and metabolite production. Bioreactors: types and forms of operation. Monitoring of biotechnological processes: measurement and control of variables of interest.
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