کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1200805 | 1493625 | 2013 | 9 صفحه PDF | دانلود رایگان |
• The NRTL-SAC model was employed to predict partition coefficient (K) in CCC.
• The predicted partition coefficients are consistent with experimental ones well.
• Experimental efforts will be reduced greatly by using the predicted K value.
• The efficiency of solvent system selection can be enhanced significantly.
• The efficiency of CCC separation will be improved significantly.
Selection of a suitable solvent system is the first and foremost step for a successful counter-current chromatography (CCC) separation. In this paper, a thermodynamic model, nonrandom two-liquid segment activity coefficient model (NRTL-SAC) which uses four types of conceptual segments to describe the effective surface interactions for each solvent and solute molecule, was employed to correlate and predict the partition coefficients (K) of a given compound in a specific solvent system. Then a suitable solvent system was selected according to the predicted partition coefficients. Three solvent system families, heptane/methanol/water, heptane/ethyl acetate/methanol/water (Arizona) and hexane/ethyl acetate/methanol/water, and several solutes were selected to investigate the effectiveness of the NRTL-SAC model for predicting the partition coefficients. Comparison between experimental results and predicted results showed that the NRTL-SAC model is of potential for estimating the K value of a given compound. Also a practical separation case on magnolol and honokiol suggests the NRTL-SAC model is effective, reliable and practical for the purpose of predicting partition coefficients and selecting a suitable solvent system for CCC separation.
Journal: Journal of Chromatography A - Volume 1301, 2 August 2013, Pages 10–18