a modified van der waals mixture theory for associating fluids: application to ternary aqueous mixtures

Authors

seyed foad aghamiri

hamid modarres

zahra nickmand

hammed taheri

abstract

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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Journal title:
iranian journal of chemistry and chemical engineering (ijcce)

Publisher: iranian institute of research and development in chemical industries (irdci)-acecr

ISSN 1021-9986

volume 31

issue 4 2012

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