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Partitioning of VOCs in aqueous salt solutions.

机译:VOC在盐水溶液中的分配。

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In this work two models are presented for the correlation and extrapolation of experimental data of volatile organic compounds (VOCs) in aqueous salt solutions. A simple model for Henry's constants is presented that is capable of correlating data over a very wide range of temperatures and moderate salt concentrations. This model has four parameters and requires vapor pressure data for the solvent-salt mixture. However, it is shown that three of these parameters can be calculated from binary VOC—water data and pure water vapor pressures. With only one salt-dependent parameter, the overall error in the correlation is less than 2%. Extrapolation is possible, although within a somewhat limited range of temperatures and salt concentrations. Moreover, trends are observed in the parameters, which may allow extrapolation to similar systems.; A simple model using a pseudobinary approach is also presented for estimation of Henry's constants of alcohols from aqueous salt VLE data. The model correlates VLE data very well with only one adjustable parameter, and can be used to predict VLE in ternary alcohol-alcohol-salt and quaternary alcohol-alcohol-water-salt systems. Henry's constants are estimated from this model, and for those systems where experimental Henry's constants are available, the estimation shows reasonable agreement with the data. However, there are not enough alcohol systems in which both types of data were available to thoroughly evaluate the accuracy of the model for this purpose. Nevertheless, the method does provide some advantages over other models for the correlation of salt VLE data.; Henry's constants have also been measured over a range of temperatures and salt concentrations, which provides a useful data set for observing trends in Henry's constants of aqueous salt systems and for comparing models. Both the anion and cation of the salt have been varied to observe the effect of each on the Henry's constant. Linear relationships of Henry's constant vs. temperature and salt concentration are observed, and this behavior extends to real systems such as black liquors from paper mills.
机译:在这项工作中,提出了两个模型,用于盐水溶液中挥发性有机化合物(VOC)的实验数据的相关和外推。提出了一个亨利常数的简单模型,该模型能够在很宽的温度范围和适度的盐浓度范围内关联数据。该模型具有四个参数,并且需要溶剂-盐混合物的蒸气压数据。但是,表明可以从二进制VOC(水数据)和纯水蒸气压力中计算出其中三个参数。仅使用一个盐依赖性参数,相关性的总误差小于2%。尽管可以在温度和盐浓度的有限范围内进行推断,但也可以进行推断。此外,在参数中观察到趋势,这可以外推到类似系统。还提出了一个使用伪二进制方法的简单模型,用于根据盐水溶液VLE数据估算醇的亨利常数。该模型仅通过一个可调整的参数就可以很好地关联VLE数据,并且可以用于预测三元醇-醇盐和四元醇-醇-水盐系统中的VLE。亨利常数是从该模型估算的,对于那些可以使用实验亨利常数的系统,估算值与数据具有合理的一致性。但是,没有足够的酒精系统能够同时使用两种类型的数据来全面评估模型的准确性。但是,该方法确实比盐VLE数据的相关性提供了优于其他模型的优势。还在温度和盐浓度范围内测量了亨利常数,这为观察含水盐体系的亨利常数趋势和比较模型提供了有用的数据集。盐的阴离子和阳离子都已改变,以观察它们各自对亨利常数的影响。观察到亨利常数与温度和盐浓度之间的线性关系,并且这种行为扩展到实际系统,例如造纸厂的黑液。

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