《Table 5–Calculated segment area parameters for NRTL-SAC.》
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《Model evaluation for the prediction of solubility of active pharmaceutical ingredients(APIs) to guide solid–liquid separator design》
In this work the Oldenburg version of COSMO-RS[20]（COSMO-RS （OL）[4]） was used.Unfortunately group interaction parameters and segment area parameters were not available for all groups of solutes and solvents considered for prediction.Hence，not all solubilities could be described by all of the predictive methods.These systems are indicated by a dash in Table S1.The sigma profiles of the solutes，used in the COSMO-RS（OL）and COSMO-SAC methods，were determined by Gaussian 03 calculations with the hybrid density function theory type B3LYP，and basis sets 6-311G（d，p）[65].These profiles were obtained from the Dortmund Data Bank software package（2012）[46].
| 图表编号 | XD00594900 严禁用于非法目的 |
|---|---|
| 绘制时间 | 2018.05.01 |
| 作者 | Kuveneshan Moodley、Jürgen Rarey、Deresh Ramjugernath |
| 绘制单位 | Thermodynamics Research Unit, School of Engineering, University of KwaZulu-Natal, Howard College Campus、Thermodynamics Research Unit, School of Engineering, University of KwaZulu-Natal, Howard College Campus、Industrial Chemistry, Carl von Ossietzky Univer |
| 更多格式 | 高清、无水印（增值服务） |
