An improvement for the excess enthalpy prediction by UNIFAC. 1. Binary mixtures containing alkanes |
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| Authors: | E. Siimer L. Kudryavtseva |
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| Affiliation: | (1) Institute of Chemistry of the Estonian Academy of Sciences, Tallinn, Estonia |
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| Abstract: | The UNIFAC model is tested for its ability to correlate and predict binary excess enthalpies. Besides the alkanes containing systems from earlier work, those for ester-alkane mixtures are also investigated. The model is fitted to binary excess enthalpy data. The influence of group surface area parameters is also examined by using values based on the van der Waals surface areas Qs multiplied for all the groups by the factor n. A significant improvement of HE calculation in most of the systems considered is observed if the factor n is taken equal to 3. |
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| Keywords: | Excess enthalpy UNIFAC group contribution model binary mixtures ofn-alkanes with alkanols esters ketones alkynes alkenes arenes ethers and tetrachloromethane |
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