WOLFRAM SYSTEM MODELER

Chromatography

Placeholder for the Chromatography example model, available on the Wolfram SystemModeler website.

Wolfram Language

In[1]:=
SystemModel["IndustryExamples.LifeSciences.Chromatography"]
Out[1]:=

Information

 
 

Library Dependency

This is a placeholder model. It requires the BioChem library.

  • The free BioChem library is an extendable, general purpose Modelica library for modeling, simulation and visualization of biological and biochemical systems. The library is designed to be used together with Wolfram SystemModeler, which enables several extra features such as Systems Biology Markup Language (SBML) import and export. BioChem can, for instance, be used for selecting drug targets with PK/PD modeling or searching for novel drug targets with mechanistic modeling of the reactions in a cell or organism.

The following documentation is taken from the main example of the downloadable model. Once you have downloaded all the model dependencies, the model can be downloaded here.

Chromatography: An Inside Study

 

Introduction

This model studies the inner workings of a chromatography column that can be used to separate different chemicals, based on properties such as size and charge.

In order to get the full experience of this example, you need the following:

 

These pages show an overview of the example. For the full example, open the accompanying notebook Chromatography.nb.

 

Model Principles

A chromatography column can be used to separate chemicals in order to purify them in large quantities. Separation on smaller analyte volumes is also performed to detect and quantify the constituent parts of a chemical solution.

The column can be divided into a liquid—or mobile—and a solid—or stationary—phase. The liquid phase contains the analytes that are to be separated. The analytes interact with the solid phase in the column, which retains the particles and influences their flow rate. This can be modeled as an equilibrium for the analytes, where they move from the liquid phase to being fixed inside the solid phase. This model assumes noncompetitive binding and linear equilibrium for all the analytes. The effluent is analyzed using a spectrophotometer.

 

Simulation

To simulate the model, perform this step:

  • Click the Simulate button in the top toolbar simulate.

Plot the results

A preferred stored plot will automatically be displayed when the simulation has finished. This plot can be seen below. If you would like to plot the simulation results for yourself, follow these steps:

  • In the Plot view on the left in the Experiment Browser, expand the spectrophotometer tree by clicking the small arrow to the left of the tree.
  • Inside the spectrophotometer tree, check the box next to the u1, u2, and u3 variables.

To add a secondary plot and plot the spectrophotometer response, perform the following steps:

  • In the toolbar at the top left of the window, click the New Subplot button newplot.
  • Inside the spectrophotometer tree, check the box next to the y variable.

You can also change the theme of the plot by clicking the Plot Theme button plottheme. Select a theme that fills the area under the plot.

You should now see the following graphs

plot

 

Analysis

In the notebook that was downloaded together with this model you can find further analyses connected with this model.

manalysis