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Azeotropes computation using UNIQUAC model for the case of ternary system: 1-Butanol - Water- Butyl Acetate

Housam Binous
Organization: KFUPM
Department: Chemical Engineering
URL: http://sites.google.com/site/homepageofdrhousambinous/
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In the present notebook, the author computes the azeotropes for the ternary system: water/n-butanol/butyl acetate. When applicable, the problem is considered as a minimization problem using the Mathematica built-in function: Minimize. This confirms that difficult system of algebraic equations can often be solved more easily as optimization problems. Activity coefficients are determined using the UNIQUAC model. Compositions and boiling points for all azeotropes are given. There are four azeotropes (three binary azeotropes and a ternary azeotrope). Three azeotropes, including the ternary azeotropes, are heterogeneous. In such case, the composition of the overall, aqueous and organic phases are given. Only the azeotrope between butanol and butyl acetate is homogeneous. Results are in agreement with the paper by Venimadhavan, Malone and Doherty, A novel distillate policy for batch distillation with application to the production of butyl acetate, Ind. Eng. Chem. Res., 1999, 38, 714-722.

*Applied Mathematics > Optimization
*Engineering > Chemical Engineering
*Science > Chemistry

Heterogeneous azeotropes, homogeneous azeotropes, UNIQUAC model, deviation from ideal behaviour, activity coefficients, water/n-butanol/butyl acetate ternary mixture, Minimize, FindRoot, optimization
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Azeo-UNIQUAC.nb (18.9 KB) - Mathematica Notebook [for Mathematica 5.2]