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Dissociation in a Tubular Reactor

Tubular reactors are often used in continuous large-scale production, for example in the petroleum industry. One key design parameter is the conversion, or the amount of reactant that reacts to form the desired product. In order to achieve high conversion, process engineers optimize the reactor design: its length, width and heating system. An accurate reactor model is a very useful tool, both at ...

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.

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 ...

Hydrodealkylation in a Membrane Reactor

This application demonstrates how you can access and include external thermodynamic and physical property calculations in your simulation, using the Thermodynamics feature. The example shows how you can easily modify the predefined Plug-flow reactor type in the Reaction Engineering interface to set up a membrane reactor model. At high temperatures and pressures, and in the presence of ...

Maxwell-Stefan Diffusion in a Fuel Cell Unit Cell

In concentrated gases and liquids, where the concentrations of species are of the same order of magnitude, there is no obvious solvent-solute relationship. Fick’s law for diffusion accounts only for one-way solute-solvent interactions whereas the Maxwell-Stefan equations account for all interactions of species in a solution. In a system with three components, three pair-wise interactions are ...

Optimization of a Catalytic Microreactor

In this application, a solution is pumped through a catalytic bed where a solute species reacts as it gets in contact with the catalyst. The purpose of this example is to maximize the total reaction rate for a given total pressure difference across the bed by finding an optimal catalyst distribution. The distribution of the porous catalyst determines the total reaction rate in the bed. A large ...

Optimal Cooling of a Tubular Reactor

Maximizing product yield is a main task in chemical reaction engineering. This can be especially challenging if the desired product, once formed, can be consumed by further reactions. This example investigates such a series reaction as it occurs in a tubular reactor. You will start by setting up the tightly coupled mass and energy balance equations describing the reactor using predefined ...

Isoelectric Separation

This example applies the Transport of Diluted Species, Electrostatics, and Laminar Flow interfaces to model isoelectric separation in a free flow electrophoresis device. A stream containing six different ionic species is shown to be divided into pure component streams by means of migrative transport in an electric field. Free flow electrophoresis can separate macromolecules such as proteins, ...

Liquid Chromatography

High-performance liquid chromatography (HPLC) is a common method of separating, identifying, and quantifying each chemical compound in a mixture. HPLC is found in the pharmaceutical, biotech, and food industries. The Liquid Chromatography app simulates the separation of two species within a generic liquid chromatography column. Simulations can help pinpoint design elements of chromatography ...