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Chromatography
High pressure liquid chromatography (HPLC) is an essential in both analysis and production in many areas of chemistry, including pharmaceutical industry. A mixture of compounds dissolved in a solvent is pushed through a column packed with porous particles. Depending on the binding affinity of the compounds on the pore surfaces of the particles, the time of passage through the column differs between the compounds, which enables separation.
Mathematical Model
We have developed a multiscale mathematical model of a HPLC column, which is based on first principles and detailed knowledge of the porous structure. Combined with simulations of flow, diffusion and advection, the mathematical model provides a means to compute transport coefficients for macroscale simulation of column performance. A publication is in preparation.
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