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, ...
Drug Release from a Biomaterial Matrix
In this example, drug-release from a biomaterial matrix to damaged cell tissue is modeled. Specifically, a nerve guide delivers a regenerating drug to damaged nerve ends. The model involves detailed drug release kinetics, with rate expressions handling drug dissociation/association reactions as well as matrix degradation by enzyme catalysis. The enzyme reaction is described by Michaelis-Menten ...
Homogeneous Charge Compression Ignition of Methane
Homogeneous Charge Compression Ignition (HCCI) engines are being considered as an alternative to traditional spark- and compression-ignition engines. As the name implies, a homogeneous fuel/oxidant mixture is auto-ignited by compression with simultaneous combustion occurring throughout the cylinder volume. Combustion temperatures under lean burn operation are relatively low, resulting in low ...
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.
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 ...
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 ...
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 ...
Heterogeneous Model of a Porous Catalyst
A catalyst particle with a hypothetical microstructure is described in detail. The heterogeneous description is approximated in a second model with a homogeneous particle and the results from the two approaches are compared. See: https://www.comsol.se/blogs/modeling-approaches-in-heterogeneous-catalysis/
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 ...
