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ACS Omega • Vol 8 • No 22
Retention Database for Prediction, Simulation, and Optimization of GC Separations
2023
This work presents an open source database with suitable retention parameters for prediction and simulation of GC separations and gives a short introduction to three common retention models. Useful computer simulations play an important role to save resources…
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Chromatography

Set of physico-chemical techniques for separation of mixtures

In chemical analysis, chromatography is a laboratory technique for the separation of a mixture into its components. The mixture is dissolved in a fluid solvent (gas or liquid) called the mobile phase , which carries it through a system (a column, a capillary tube, a plate, or a sheet) on which a material called the stationary phase is fixed. Because the different constituents of the mixture tend to have different affinities for the stationary phase and are retained for different lengths of time depending on their interactions with its surface sites, the constituents travel at different apparent velocities in the mobile fluid, causing them to separate. The separation is based on the differential partitioning between the mobile and the stationary phases.

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ACS Omega • Vol 8 • No 22
Retention Database for Prediction, Simulation, and Optimization of GC Separations
2023
This work presents an open source database with suitable retention parameters for prediction and simulation of GC separations and gives a short introduction to three common retention models. Useful computer simulations play an important role to save resources and time in method development in GC. Thermodynamic retention parameters for the ABC model and the <i>K</i>-centric model are determined by isothermal measurements. This standardized procedure of measurements and calculations, presented in this work, have a u…
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