title: A priori selection of the mobile and stationary phase in centrifugal partition chromatography and counter-current chromatography.
abstract: The selection of the mobile and the stationary phase in support-free liquid-liquid chromatography (centrifugal partition chromatography and counter-current chromatography) is equivalent to a selection of a biphasic liquid system and its global composition. There is an immense number of choices of biphasic liquid systems. On one hand what makes this technique extremely versatile, on the other hand turns the selection of the appropriate system for a particular separation problem into a challenging and demanding task. In this work a systematic procedure for the selection of biphasic liquid systems for preparative scale separations is presented. The procedure is adaptable to the production scale requirements including production cost and safety. The experimental effort of different stages of the selection procedure is minimized by using a fully predictive method, the conductor-like screening model for real solvents (COSMO-RS). The COSMO-RS is used to assess properties relevant for the selection of a biphasic liquid system, such as the solute solubility and the partition coefficient.
authors.affiliation: Chair of Separation Science and Technology, Friedrich-Alexander University Erlangen-Nuremberg, Egerlandstr. 3, 91058 Erlangen, Germany.
authors.forename: Elisabeth
authors.initials: E
authors.lastname: Hopmann
authors.forename: Andreas
authors.initials: A
authors.lastname: Frey
authors.forename: Mirjana
authors.initials: M
authors.lastname: Minceva
mesh_terms: D002498:Centrifugation / Q000379:methods*; D003377:Countercurrent Distribution / Q000379:methods*; D008956:Models, Chemical; D009930:Organic Chemicals / Q000737:chemistry; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D009930:Organic Chemicals; D012997:Solvents; D014867:Water