Using Free, High-Performance, Computer Modeling Software to Simulate Gas Chromatographic Separations
A Recently developed, free to use, web-based computer program has been employed to accelerate Gas Chromatography (GC) method development by direct simulation of the chromatographic process. The program makes use of a highly accurate time-summation modeling approach, coupled with large libraries of data to provide absolute retention time predictions within 1% of those obtained from experiment.
The user is able to directly control every parameter of the chromatography being modeled including carrier gas, stationary phase, column dimensions, and temperature program. The temperature program can be iteratively optimized to obtain the desired separation in the minimum run time. The software is preloaded for modeling of more than 20 different stationary phases and hundreds of compounds including, Pesticides, PCB's, PAH's, semi-volatile, and volatile organics.
These GC modeling features allow users to develop new applications as well as visualize the impact of changing conditions, without purchasing any GC column or finding an available gas chromatograph.
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Dr jaap de Zeeuw (Restek Corporation)
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