software to generate chromatogram
Posted: Thu Mar 05, 2009 5:08 am
I would like to ask is there any software which could be used to generate a chromatogram for binary gas mixtures with desired compositions.
Maybe there is commercial software, but I suggest Excel could do it, at least it could for linear ideal or linear non-ideal chromatography. An example of a function that draws such a curve is:
c = (1/v) * [(N*Vr)/(2*pi*v)]^0.5 * exp[((-N/2)*(v-Vr)^2)/(v*Vr)]
where c is amplitude, ie your dependent variable
v is elution volume or time, ie. your independent variable
Vr is the centroid of the peak
N is number of theoretical plates.
The function above I adapted from a 1985 paper by D.W Underhill
Pulse Residence in Short Chromatographic Columns. Anal. Chem., 57, 826-829.
If N is large, say >200, then Vr is effectively at the peak maximum. Try putting in crazy values for N like 0.5 and see what happens ! You might be surprised at how familiar it looks. BTW this function is not identical to the classical Glueckauf version because that was not correct for small values of N. Perhaps for your purposes it makes no difference, but it's fun to play with a realistic model.
You could try adding the output of two or more versions together to get your binary etc. chromatograms.
Sorry I don't have any simple functions for non-linear (overloaded) chromatography.