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Residue Curve Map for Homogeneous Reactive Quaternary Mixtures

Housam Binous
Organization: KFUPM
Department: Chemical Engineering
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The two notebooks computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of Mathematica, FindRoot and Euler's method of integration. The governing equations, which depend on transformed compositions, can be found in the pioneering paper by Barbosa, D., and M. F. Doherty, Chemical Engineering Science, 3 (43), 541-550, 1988. Appropriate equations must be used to compute vapor-liquid equilibrium when there is dimerization in the gas phase. These equations have been derived by 1/ Marek, J.& Standart, G., Colln Czech. Chem. Commun., Engl. Edn, (19) 1074-1084, 1954; 2/ Marek, J. Colln Czech. Chem. Commun., Engl. Edn, (20) 1490-1502, 1955. Acetic acid, the associating component, is present in both quaternary mixtures. The occurrence of a chemical reaction leads to the disappearance of an azeotrope in the methyl acetate chemistry. On the other hand, a reactive azeotrope appears in the isopropyl acetate chemistry. Transformed compositions of these azeotropes are provided. All results found using Mathematica are in agreement with those given in the book by Doherty, M. F., and M. F. Malone, Conceptual Design of Distillation Systems, McGraw-Hill, New York, 2001.

*Engineering > Chemical Engineering
*Science > Chemistry

system of differential algebraic equations, esterification, quaternary mixtures, reactive distillation, dimerization, wilson and NRTL models, reaction equilibrium, phase equilibrium, residue curve maps, simple distillation, transformed compositions
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Isopropyl_Acetate.nb (227.5 KB) - Mathematica Notebook
Methyl_Acetate.nb (214.9 KB) - Mathematica Notebook