Validation of Simulated Elution Profiles

The accurate knowledge of the adsorption isotherm is necessary for accurate predictions of individual band profiles in all modes of chromatography and hence for process optimization [13], Band profiles are sensitive to the shape of the isotherm, and thus the isotherm must be determined with accuracy and precision. 

To validate the accuracy of the adsorption isotherm parameters determined experimentally, they could be used to computer simulate elution profiles, which then could be compared to experimental ones. So far, this has only been made by visual inspection [13, 118, 120, 128], In order to quantify and validate how well the simulation fits the experimental data we defined in papers III, V and VI, the overlap to be  

Here c ( ), csim ( ) are the experimental and simulated responses at time t. When the experimental and simulated elution profiles coincide perfectly the overlap is 100% and when they are totally separated the overlap is 0%. In papers III-VI, the accuracy of the parameters was validated by calculating the overlap. We suggest that an overlap of more than 90% could be considered as good. A high overlap validates that both right isotherm model and right column model have been chosen. 

This section is intended to give a very brief overview of the results obtained. For more detailed results and discussions, see papers I-VI. 

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