Abstract
Mutual solubilities of water with n-alkanes, cycloalkanes, iso-alkanes (branched alkanes), alkenes, alkynes, alkadienes, and alkylbenzenes were calculated at 298 K for 153 systems not yet measured. Recommended data for 64 systems reported in the literature were compared with the predicted values. The solubility of the hydrocarbons in water was calculated with a thermodynamically based equation, which depends on specific properties of the hydrocarbon. The concentration in the second coexisting liquid phase (water in hydrocarbon) was calculated using liquid-liquid equilibrium with an equation of state, which takes into account the self-association of water and co-association of water with π-bonds of the hydrocarbons.
Highlights
After the analysis of experimental data, it was found that Tmin is constant for a given class of hydrocarbons, whereas ln xh,min and Ch depend linearly on the excluded volume, bh, of the hydrocarg(T⁄T
After the analysis of experimental data, it was found that Tmin is constant for a given class of hydrocarbons, whereas ln xh,min and Ch depend linearly on the excluded volume, bh, of the hydrocarbon
The output is the solubility of water, xw, in the hydrocarbon as a function of temperature
Summary
[6] developed thea aimedprediction at the prediction of hydrocarbon liquid-liquid equilibria for water-organic systems over wide temperature range This modified UNIFAC successfully represents the hydrocarbonrich phase but cannot correctly predict the minimum solubility of hydrocarbons in water. The resulting method of the LLE prediction was described in papers [22,23,24,25] In this method, the calculation of such solubilities as those shown in Figure 1 consists of two steps: 2. The input data for these calculations are concentrations in the second liquid phase predicted by the previously mentioned smoothing equation In these two steps, an extensive body of experimental data is described with a few adjustable parameters, providing a framework for the comparison of experimental data and supporting the recognition of systematic error. (some independent measurements would be useful for testing our predictions)
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