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Multicomponent Tubular Reactor with Isothermal Cooling

This application uses the Chemical Reaction Engineering Module to study an elementary, exothermic, irreversible reaction in a tubular reactor (liquid phase, laminar flow regime). To keep its temperature down, the reactor uses a cooling jacket with a constant coolant temperature. The steady-state behavior of the reactor is investigated. The application visualizes how the Chemistry and Transport ...

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.

Separation Through Dialysis

Dialysis is a widely used chemical species separation method. One such example is hemodialysis, which acts as artificial kidneys for people with renal failure. In dialysis, only specific components are allowed to diffuse through the membrane, based on differences in molecular size and solubility. The Membrane Dialysis app simulates a process for lowering contaminant concentration in a fluid. ...

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 species over time. Furthermore, because the reactor is perfectly mixed, the Reaction Engineering interface can also set up a model even though it has no information ...

Protein Adsorption

Ion-exchange is a powerful method to separate proteins from solutions and is today readily used in biotechnological and pharmaceutical industry. This model simulates an ion-exchange column for protein adsorption. The fluid phase contains four components: two proteins, solvent, and one salt. The adsorption/desorption kinetics is described by two equilibrium reactions where proteins displace ...

Stefan Tube

This example illustrates the use of the Maxwell-Stefan diffusion model available with the Transport of Concentrated Species interface. It models multicomponent gas-phase diffusion in a Stefan tube in 1D. In this case, it is a liquid mixture of acetone and methanol that evaporates into air. The concentration profiles are modeled at steady-state and validated against experimental data by Taylor ...

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 ...

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 ...

Creating a Phase Envelope with a Multicomponent Flash Calculation

* A flash calculation is an equilibrium calculation of a system where several components (species) and phases are present at the same time. This is a demonstration how to use the thermodynamics interface to make flash calculations from data provided external thermodynamic databases. The system in this model is Methane/Ethane/Propane, which would require 3D surfaces to plot the phase envelope. ...

Ammonia Synthesis PFR

This example demonstrate the modeling of a plug flow reactor for the synthesis of ammonia in the Haber-Weiss process. The catalytic reactor in this process operates under non-isothermal conditions, where temperature and pressure varies substantially along the length of the reactor, in addition to the variation in composition.