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Chemical Reaction Engineering Module

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Ibuprofen SynthesisIbuprofen Synthesis

Kinetic analysis of catalytic reactions is essential for understanding rate behavior as well as the reaction mechanism. Developing knowledge of intrinsic reaction kinetics and of rate equations is central to reaction engineering studies...

Isothermal HI Reactor Isothermal HI Reactor

For a perfectly mixed reactor with a predefined constant temperature, the reacting system’s energy balance is not needed to describe the system behavior. The behavior is defined as the composition and the production or consumption of...

Maxwell-Stefan Diffusion in a Fuel Cell Unit CellMaxwell-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...

Startup of a CSTRStartup of a CSTR

The hydrolysis of propylene oxide into propylene glycol is an important chemical process with 400,000 metric tons produced worldwide each year. Propylene glycol finds wide application as a moisturizer in foods, pharmaceuticals, and...

Determining Arrhenius Parameters using Parameter EstimationDetermining Arrhenius Parameters using Parameter Estimation

This model shows how to use the Parameter Estimation feature in the Reaction Engineering interface to find the Arrhenius parameters of a first order reaction where Benzene diazonium chloride decomposes to benzene chloride and nitrogen.

Determining the Reaction Order from Pressure-Time DataDetermining the Reaction Order from Pressure-Time Data

This model shows how to use the Parameter Estimation feature in the Reaction Engineering interface to find the rate constant and reaction order for the gas phase decomposition of di-tert-butyl-peroxide.

Diffusion of Gas Through a Reinforced 3D MembraneDiffusion of Gas Through a Reinforced 3D Membrane

In this example, we study the diffusion of a chemical species through a membrane. The system is used to measure the permeability of gases in membranes. The permeability of the membrane is measured by introducing the species of...

Drug Release from a Biomaterial MatrixDrug 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...

Fixed Bed Reactor for Catalytic Hydrocarbon OxidationFixed Bed Reactor for Catalytic Hydrocarbon Oxidation

Tubular reactors are generally modelled with the assumption that the concentration and temperature gradients only occur in the axial direction. The only transport mechanism operating in this direction is the overall flow itself, which is...

Monolithic ReactorMonolithic Reactor

This model simulates the catalytic abatement of a volatile organic compound (VOC), in this case a contaminant in a waste gas. An analytical expression describes the velocity profile in the free channel, while reaction occurs in the...