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Parameter Estimation for Nonideal Reactor Models

Real reactors can be modeled as combinations of ideal reactors. In this example the so-called "Dead zone model" is utilized. Two ideal CSTRs with interchange are set up to model the real reactor. One CSTR represents the highly agitated region and the other the less agitated region. For this, two parameters relating the volume and exchange rate of the two regions need to be found by comparing ...

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. ...

Danckwerts Benchmark

This model compares the solution to the model equations of a tubular reactor using Danckwerts inlet and outlet conditions. A second almost identical model is defined with extra inlet and outlet sections where no reactions occur. The concentration at the beginning of the inlet section is fixed. The results with Danckwerts conditions and with fixed inlet concentrations are compared.

Space-Dependent HI Reactor

This model deals with a reacting system comprising of an equimolar mixture of hydrogen and iodine gas which is allowed to react and form HI. Composition and temperature are allowed to vary both in space and time. This means that you have to define material balances, energy balances, and transport properties in the Reaction Engineering interface. These balances and properties are exported to ...

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