Topic
Non-random two-liquid model
About: Non-random two-liquid model is a research topic. Over the lifetime, 3669 publications have been published within this topic receiving 67813 citations. The topic is also known as: NRTL.
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TL;DR: In this article, the ionic liquid [mebupy]BF4 is used as a solvent for liquid−liquid extraction and the experimental data for the binary and ternary systems were well-correlated with the NRTL model.
Abstract: This research focused on a study of the ionic liquid 4-methyl-N-butylpyridinium tetrafluoroborate ([mebupy]BF4) as a solvent in liquid−liquid extraction. Liquid−liquid equilibrium data were obtained for mixtures of 4-methyl-N-butylpyridinium tetrafluoroborate + (benzene or ethylbenzene or m-xylene) + (N-hexane or N-octane) at T = (313.2 and 348.2) K and T = (313.2 and 333.2) K for the ternary mixture with benzene and p = 0.1 MPa. The experimental data for the binary and ternary systems were well-correlated with the NRTL model. The aromatic/aliphatic selectivity values were comparable to those of toluene + N-heptane. The ionic liquid [mebupy]BF4 is therefore a suitable solvent for an industrial extraction process for the separation of aromatic and aliphatic hydrocarbons.
162 citations
TL;DR: In this paper, the authors investigated the applicability of the NRTL−SAC model for predicting drug solubility in mixed solvents for three molecules: acetaminophen, sulfadiazine, and cimetidine.
Abstract: The recently developed Nonrandom Two-Liquid Segment Activity Coefficient (NRTL−SAC) model [reported by Chen and Song, Ind. Eng. Chem. Res. 2004, 43, 8354] offers a practical thermodynamic framework to predict drug solubility in a wide range of solvents, based on a small initial set of measured solubility data. The model yields satisfactory results in first correlating drug solubility in a few representative pure solvents and then qualitatively predicting drug solubility in other pure solvents. Here, we investigate the applicability of the NRTL−SAC model for predicting drug solubility in mixed solvents for three molecules: acetaminophen, sulfadiazine, and cimetidine. The study shows that the model provides robust correlation and prediction of drug solubility in both pure and mixed solvents, with a qualitative level of accuracy. The model is a useful tool in support of the early stages of crystallization process development and other areas of drug process design.
156 citations
151 citations
TL;DR: In this article, the authors compared the performance of the original Flory-Huggins, modified UNIFAC, GCFLORY model, Flory free-volume, Entropic free volume, and some empirical modifications of these last two models and compared the deviations between experimental and predicted values of solid appearance temperature.
149 citations
TL;DR: In this article, a new simple activity coefficient model for the prediction of solvent activities in polymer solutions is presented, which consists of two terms, a recently proposed combinatorial-free-volume term by Elbro et al. and the residual term of UNIFAC.
Abstract: A new simple activity coefficient model for the prediction of solvent activities in polymer solutions is presented. The model consists of two terms, a recently proposed «combined» combinatorial-free-volume term by Elbro et al. and the residual term of UNIFAC. The linear temperature-dependent parameter table for UNIFAC, recently developed by Hansen et al., is used. The ability of the new model to predict solvent activity coefficients at infinite dilution for many different polymer-solvent systems is shown
148 citations