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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, ...

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 ...

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 ...

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 ...

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.

Steam Reformer

In fuel cell power generators, a steam reformer unit typically produces the hydrogen needed for the cell stack. This example illustrates the modeling of a steam reformer. The reformation chemistry occurs in a porous catalytic bed where energy is supplied through heating tubes to drive the endothermal reaction system. The reactor is enclosed in an insulating jacket. The tightly coupled ...

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 ...

Polymerization in Multijet Tubular Reactor

In a polymerization reactor for polyester manufacturing, the mixing in the reactor is achieved by impinging turbulent jets of reactants onto each other. The turbulence affects the reaction kinetics and quality of the polymer linkage. Turbulent flows involving rapid reaction kinetics are quite common in the production of polymers, and the complex interplay between fluid dynamics and fast ...

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 ...

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, ...