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Ibuprofen 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 aimed at improving reactor design. This model illustrates the reaction kinetics of a complex chemistry occurring in a perfectly stirred tank reactor. The ...

HI Batch Reactor

This tutorial example illustrates the versatility of the *Reaction Engineering* interface. The hydrogen iodine reaction is modeled in a batch reactor with constant volume. Both isothermal and non-isothermal conditions are modeled.

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.

Degradation of DNA in Plasma

Biotechnology is a rapidly growing area in the pharmaceutical sciences. One example of a clinical application is gene therapy, where it is possible to produce proteins in vivo, using the body’s own mechanisms for protein production. Major issues in gene delivery involve the transport of plasmid DNA (pDNA) to target sites and the conversion between different forms of pDNA. This example ...

Nonisothermal HI Reactor

In the case of a perfectly mixed nonisothermal system, you have to set up both the time-dependent material and energy balances. There are no spatial concentration gradients because the system is perfectly mixed, so the Reaction Engineering interface can create a model without evaluating the material-transport properties.

Modeling of an Enzyme-Based Biofuel Cell Anode

Enzyme-based biofuel cells (EBFCs) use biomass and specific enzymes known as biocatalysts in order to convert chemical energy into electrical energy. At the anode of an EBFC, the biomass (substrate) is oxidized to produce protons and electrons. Mediators are used in the anode to shuttle the electrons from enzymes to electrodes. At the cathode, the oxidant (oxygen) reacts with the protons and ...

Neutralization of Chlorine in a Scrubber

This example studies the kinetics of the neutralization of chlorine gas in water solution. The model assumes that the fluid volume is perfectly mixed and constant. This means that the chlorine has dissolved to an almost saturated state (1·10-2 mol/m3) and that the hydroxide has also mixed well throughout, as would be the case for a very small amount of fluid in a scrubber. The study allows ...

Determining 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.

Startup of a Continuous Stirred Tank Reactor

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 cosmetics. In this example, the startup phase of a continuous stirred tank reactor (CSTR) used to produce propylene glycol is investigated. The non-isothermal ...

Water Purification by Silver Complexation

Many industrial processes leave remainders of toxic dissolved metal ions in process flows. A common method for removing metal ions from water is complexation. This model example shows a purification reactor where silver ions are complexated to diamine-silver for removal. Ammonia (L) is added across a membrane in a tubular reactor in order to remove silver ions (M) from a water stream. A metal ...