Separation of analytes

Separation of analytes - context
Analyte mixtures and separation - 1
Analyte mixtures and separation - 2
Analyte mixtures and separation - 3
Introduction to chromatography
Chromatographic columns
Principle setup of a chromatographic unit
Example of separation
Chromatographic system - 1
Chromatographic system - 2
Standard gas chromatograph
(Old) liquid chromatography unit
(New) liquid chromatography unit
HPLC columns
Comparison GC and HPLC
Selftest
     1) Purpose of chromatographic process
           Answer
     2) Unsuitable compounds
           Answer
     3) HPLC vs. GC
           Answer
     4) Detectors
           Answer
     5) Solvent properties
           Answer
     6) Retention time
           Answer
     7) Analyte identification
           Answer
     8) Irreversible or reversible sorption process
           Answer
     9) Short analysis time
           Answer
     10) Retention factor
           Answer
     11) Breakthrough-curve
           Answer
Problems
End of lesson

6) Retention time

 

Question:

Which possibilities are there to estimate the retention time of an analyte on GC or HPLC with a given column and conditions?

 

Answer:

There are some software packages available but we (the authors) have no experience with them and cannot judge how good they are.

For some columns and conditions one may find predictive equations such as those shown in Table 20 in the script that one can use if the interaction descriptors of the analyte (Table 9 in the script) are known (see also Illustrative example 14 in the script) or can be estimated by using http://pharma-algorithms.com/webboxes/ (hit the ABSOV button). For temperature and solvent gradients such equations will only work if the gradients are steady and typically in this case one will have to calibrate an own individual equation for the specific chromatographic conditions that one has. In practice, the most realistic way is to use as much of the above information to estimate the retention behavior relative to other compounds with known retention times.