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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 carbon-halogen bond scission is activated by precious metal catalysts based on platinum or ...

Multicomponent Tubular Reactor with Isothermal Cooling

This application uses the Chemical Reaction Engineering Module to study an elementary, exothermic, irreversible reaction in a tubular reactor (liquid phase, laminar flow regime). To keep its temperature down, the reactor uses a cooling jacket with a constant coolant temperature. The steady-state behavior of the reactor is investigated. The application visualizes how the Chemistry and Transport ...

Nonisothermal Plug Flow Reactor

This example considers the thermal cracking of acetone, which is a key step in the production of acetic anhydride. The gas phase reaction takes place under nonisothermal conditions in a plug-flow reactor. As the cracking chemistry is endothermic, control over the temperature in the reactor is essential in order to achieve reasonable conversion. When the reactor is run under adiabatic conditions, ...

Transport in an Electrokinetic Valve

This application presents an example of pressure driven flow and electrophoresis in a 3D micro channel system. Researchers often use a device similar to the one in this model as an electrokinetic sample injector in biochips to obtain well-defined sample volumes of dissociated acids and salts and to transport these volumes. Focusing is obtained through pressure driven flow of the sample and ...

Tank Series with Feedback Control

This example illustrates how to set up and solve a tank-in-series model in 0D using the Reaction Engineering interface. The model treats a series of three consecutive tank reactors. A feedback loop continuously adjusts the inlet concentration of the first tank to keep the concentration at the outlet of the last reactor close to a set level.

Microchannel H-Cell

This example was originally formulated by Albert Witarsa under Professor Bruce Finlayson’s supervision at the University of Washington in Seattle. It was part of a graduate course in which the assignment consisted of evaluating the potential of patents in the field of microfluidics through mathematical modeling. The model treats an H-micro cell for separation through diffusion. The cell puts ...

Electroosmotic Flow in Porous Media

This example treats the modeling of electroosmotic flow in porous media. The system consists of a compartment of sintered porous material and two electrodes that generate an electric field. The cell combines pressure and electroosmotic driven flow. The equations that are solved are the continuity equations for flow velocity and current density together with a mass balance using the ...

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 deposition thickness, since the process becomes limited by the deposition kinetics. The goal of this ...

Finding Kinetic Arrhenius Parameters Using Parameter Estimation

This example shows how to use the Parameter Estimation and Experiment features in the Reaction Engineering interface for optimization with multiple experimental data input files. The application finds the Arrhenius parameters of a first order reaction where Benzene diazonium chloride decomposes to benzene chloride and nitrogen at 313, 319, 323, 328, and 333 K.

Chemical Reactions and Soot Build-Up in a Diesel Filter

In this tutorial, a filter system for a diesel engine is modeled, 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 through the membrane. A filter system's efficiency and durability is closely related to the manner ...