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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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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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Fuel Cell Stack
A key optimization parameter in a fuel cell is the design of the reactant and product channels and inlets and outlets. Good designs require that the electrodes are well fed with a reactant and that products are removed as quickly as possible. A further desire for a good fuel-cell design is that fuel...
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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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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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Mass Transport and Electrochemical Reaction in a Fuel Cell Cathode
A stationary 3D model of a generic fuel cell cathode describing the mass fraction distribution of oxygen, water, and nitrogen, as well as the current distribution.
The model uses Darcy's Law to describe convection, and couples this to Maxwell-Stefan diffusivities to also describe mass transport....
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Carbon Deposition in Heterogeneous Catalysis
Carbon deposition onto the surface of solid catalysts is commonly observed in hydrocarbon processing. Carbon deposits can affect both the activity of catalysts as well as the flow of gas through a catalyst bed.
This example investigates the thermal decomposition of methane into hydrogen and solid...
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Turbulent Residence Time
Large-scale reactors are usually made from stationary parts, often involving baffles. They make use of the baffled- imposed turbulence to provide mixing within the reactor. Yet, such reactors need to be optimized as too much baffling can create unnecessary turbulence and pressure drops. Too few can...
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A 3D Model of a Diesel Particulate Filter
Several factors influence a diesel particulate filter’s (DPF) efficiency and durability. Important issues include the removal of soot particles from the filter membranes and the influence of thermal stress on the ceramic structure, stress that arises during repeated operating cycles. Mathematical...
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Boat Reactor for Low Pressure Chemical Vapor Deposition
Chemical vapor deposition (CVD) is an important step in the process of manufacturing microchips. One of the common applications is the deposition of silicon on wafers at low pressure. Low pressure reactors are used to get a high diffusivity of the gaseous species, which results in a uniform depositi...
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