Virtual Laboratory Experiments:
The last few decades have seen dramatic changes in computer hardware and software capabilities, providing opportunities to create extensive vitual laboratory experiments. These can supplement existing classes, provide valuable preparation for in-person experiments, and allow a more extensive range of experiments to be performed than would otherwise be possible.
Virtual Chromatography:
Chromatography is a technique particularly well-suited to implementation as a virtual laboratory experiment. The underlying theory is well-understood, and there is a vast array of data available in the form of research publications and application notes that can be used as the basis for experiments.
A particular benefit of running virtual chromatography experiments is the inherent limit on the number of experiments that can be performed in an actual laboratory setting imposed by the run-time for each chromatogram. Since computer simulation experiments are practically instantaneous, students can quickly generate a large dataset illustrating the effects of temperature or mobile phase composition on retention and separation, allowing them to gain a much better appreciation of chromatographic theory and behaviour without spending weeks in the lab!
There are two basic approaches that can be taken in developing virtual chromatography experiments:
- Simulation, in which the goal is to represent behaviour in a
realistic fashion with a reasonable degree of numerical accuracy.
Some examples include:
- An Excel-based GC Calculator by Prof. Tom O'Haver at the University of Maryland
- A PHP version of the GC calculator by Prof. Stephen Abbott
- An an HPLC Excel calculator by the Analytical Sciences group at the Université de Genève
- An HPLC Simulator by Dr. Dwight Stoll at Gustavus Adolphus College
- Optimization, in which the goal is to predict as accurately
as possible the behaviour of a real chromatographic system in order
to reduce method development time and costs. Examples include:
- DryLab from the Molnár-Institute for applied chromatography
- ACD/AutoChrom and ACD/Method Selection Suite from ACD/Labs
Teaching Chromatography Using Virtual Laboratory Exercises
This paper (David C. Stone, Journal of Chemical Education, 2007, 84(9), 1488-1496) describes the use of commercial software (ACD/LC & ACD/GC Simulator, now included in ACD/Method Selection Suite) as a virtual laboratory component in a senior level course on separation science. Although the software versions referenced in the accompanying supplemental information are now significantly out of date, zip archives of the two virtual exercises are linked here for reference:
- Virtual Chromatrography - complete instructions for both experiments
- Virtual Lab 1: files referenced for the investigation of retention in gas chromatography
- Virtual Lab 2: files referenced for the investigation of retention in liquid chromatography