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Principles
This section presents tools for a quick evaluation of food contact materials in relation with different sources of uncertainty or variability. The main parameters are replaced by continuous statistical distributions. In details, an input X is described as the product of typical value, noted X_, and a dimensionless random contribution X*. The distributions of X* are normalized so that they have a mean equal to 1 and a variance equal to sX² (sX=shape factor). The whole methodology is described in Vitrac and Hayert, 2005, AIChE, 51(4), 10801095. Classical modeling, as used in Diffusion1D, is reduced to the simple case of sX = 0. When X = D_P, you can use the tools available in QSPRMS, as the classification of molecules to generate an estimate of sD_P (e.g. class of molecules). The effect of sD_P alone on the desorption kinetic is described in this example.
Dimensionless example, effect of sD_P
The figure below describes the effect of the uncertainty on the diffusion coefficient on the dimensionless desoprtion kinetic.The result is a distribution of v* values according to the distribution of Fo
values.
Three typical percentiles (10th, 50th and 100th) are plotted.
The model assuming sD_P=0 is plotted in bold line.
©2006 by INRA\Olivier Vitrac