TY - JOUR
T1 - Solvent system selection in counter-current chromatography using conductor-like screening model for real solvents
AU - Hopmann, Elisabeth
AU - Arlt, Wolfgang
AU - Minceva, Mirjana
PY - 2011/1/14
Y1 - 2011/1/14
N2 - The aim of this investigation was to minimize the experimental effort for solvent system selection in counter-current chromatography. The separation mechanism in counter-current chromatography is based exclusively on the partitioning of the solute between the two liquid phases. Therefore, a quantum chemical method combined with statistical thermodynamics (conductor-like screening model for real solvents, COSMO-RS) was used for the prediction of the partition coefficient. A comparison of the experimental and predicted data for five model solutes systems demonstrated the potential of the use of COSMO-RS as a screening tool for the solvent system selection.
AB - The aim of this investigation was to minimize the experimental effort for solvent system selection in counter-current chromatography. The separation mechanism in counter-current chromatography is based exclusively on the partitioning of the solute between the two liquid phases. Therefore, a quantum chemical method combined with statistical thermodynamics (conductor-like screening model for real solvents, COSMO-RS) was used for the prediction of the partition coefficient. A comparison of the experimental and predicted data for five model solutes systems demonstrated the potential of the use of COSMO-RS as a screening tool for the solvent system selection.
KW - COSMO-RS
KW - Counter-current chromatography
KW - Solvent system screening
KW - Solvent system selection
KW - Two-phase liquid system
UR - http://www.scopus.com/inward/record.url?scp=78650578051&partnerID=8YFLogxK
U2 - 10.1016/j.chroma.2010.11.018
DO - 10.1016/j.chroma.2010.11.018
M3 - Article
C2 - 21144524
AN - SCOPUS:78650578051
SN - 0021-9673
VL - 1218
SP - 242
EP - 250
JO - Journal of Chromatography A
JF - Journal of Chromatography A
IS - 2
ER -