A Modified van der Waals Mixture Theory for Associating Fluids: Application to Ternary Aqueous Mixtures
In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the a...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2012-12-01
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| Series: | Iranian Journal of Chemistry & Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.ijcce.ac.ir/article_5922_fae59d5f5a1da0422b90f66236304b60.pdf |
| Summary: | In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to perform Vapor-Liquid Equilibrium (VLE) calculations of aqueous ternary mixtures. The calculations are shown to be consistently improving the prediction over the non-associating case. Also, well known empirical models of NRTL and UNIQUAC are applied on the studied systems and their results are compared with proposed model. |
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| ISSN: | 1021-9986 1021-9986 |