H. Snijders et al., OPTIMIZATION OF TEMPERATURE-PROGRAMMED GAS-CHROMATOGRAPHIC SEPARATIONS .2. OFF-LINE SIMPLEX OPTIMIZATION AND COLUMN SELECTION, Journal of chromatography, 756(1-2), 1996, pp. 175-183
Citations number
8
Categorie Soggetti
Chemistry Analytical","Biochemical Research Methods
In this work a method is described which allows off-line optimization
of temperature-programmed GC separations. The method is based on a new
numerical method that allows the off-line prediction of retention tim
es and peak widths of a mixture containing components with known ident
ities in capillary GC. In the present work we apply this method for of
f-line optimization of single- and multi-ramp temperature-programmed G
C separations. First, it will be shown how the numerical methods are i
ncorporated in a Simplex optimization method. Next, it is described ho
w the method can be used to determine the optimal temperature program
for the separation of a mixture containing components of different fun
ctionalities. Finally, it is shown that the optimization strategy foll
owed here allows selection of the capillary column most suited for the
separation problem under study from a given set of capillary columns
containing the same stationary phase and varying inner diameters and f
ilm thicknesses. The process can be performed without any experimental
effort. The results indicate that fully off-line simulation and optim
ization of single- and multi-ramp temperature-programmed GC separation
s as well as column selection is possible.