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Chemical Reaction Engineering
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Chemical Vapor Deposition of GaAs
Chemical vapor deposition (CVD) allows a thin film to be grown on a substrate through molecules and molecular fragments adsorbing and reacting on a surface.
This example illustrates the modeling of such a CVD reactor where triethyl-gallium first decomposes, and the reaction products along with a...
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Transport and Adsorption
This model shows a simple example of the modeling of surface reactions coupled to transport of species to the reacting surface. In most cases, the reaction rate expression can be defined as a function of the concentration of the reacting species and products. However, in adsorption reactions, the su...
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Ozone Combustion
This 1D example illustrates the detailed modeling of a premixed, laminar, steady-state flame where ozone undergoes combustion to form oxygen. The chemical degradation of ozone is described by seven reversible, elementary reactions.
Mass, energy and continuity equations, describing the flame, are...
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Current Density Distribution in a Solid Oxide Fuel Cell
This model presents a study of the current density distribution in a solid oxide fuel cell (SOFC).
The model includes the full coupling between the mass balances at the anode and cathode, the momentum balances in the gas channels, the gas flow in the porous electrodes, the balance of the ionic cu...
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Polymerization in a Multijet Tubular Reactor
This example considers condensation polymerization in a tubular reactor, where mixing in the reactor is achieved by impinging turbulent jets of reactants onto each other.
Turbulent flows involving rapid reaction kinetics are quite common in the production of polymers, and the complex interplay b...
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Chemical Reactions and Soot Build-up in a Diesel Filter
In this model, a filter system for a diesel engine is modelled, including where a soot layer builds up and is oxidized. The build-up of the layer is held in check by both catalytic and non-catalytic reactions, where carbon is oxidized to carbon monoxide and carbon dioxide, which in turn passes throu...
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Hydrocarbon Dehalogenation in a Tortuous Microreactor
Removing halogen groups from hydrocarbons is an important reaction step in several chemical processes. One application is water purification. Other examples involve organic synthesis, where the removal of halogen groups serves as a starting point for carbon-carbon coupling reactions. Typically, the...
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Model of a Proton Exchange Membrane Fuel Cell
This example demonstrates modeling of PEM fuel cell with interdigitated flow field design. This implies that a pressure gradient is imposed between the inlet and outlet channel systems and forces convective flow through the porous electrodes via Darcy's Law.
Mass transport assumes Maxwell-Stefan...
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Optimization of a Catalytic Microreactor
In this model, a solution is pumped through a catalytic bed where a solute species reacts as it gets in contact with the catalyst.
The model calculates the maximize total reaction rate of the solute for a given total pressure difference across the bed by finding an optimal catalyst distribution.
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Pesticide Transport and Reaction in Soil
Aldicarb is a commercial pesticide, used on a variety of crops, including cotton, fruits, potatoes, and beans. This arises in the possibility that the general population may be exposed to aldicarb through the ingestion of contaminated water and foods.
This example looks at the degradation kinetic...
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