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VLLE Computation using Two-Parameter Margules Model: Case of a Ternary System Water-Ethanol-Ethyl Acetate

Housam Binous
Organization: KFUPM
Department: Chemical Engineering
URL: http://sites.google.com/site/homepageofdrhousambinous/
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The present notebook shows how one can compute Vapour-Liquid-Liquid Equilibrium data using the two-parameter Margules model. This method is applied to a ternary system: water-ethanol-ethyl acetate. In addition, we show how one can derive the expressions of the activity coefficients from the excess molar Gibbs function. Results are in qualitative agreement with Figure 6 in the paper by Pham and Doherty, Chem. Eng. Sci., Vol 45, N 7, pp 1823-1836, 1990. In the figure presented in the notebook, the author shows the tie lines as well as the vapour line. Boiling temperatures are also given.

*Engineering > Chemical Engineering
*Science > Chemistry

Two-parameter Margules model, activity coefficients, VLLE data, ternary systems, tie lines, vapour line, Minimize, FindRoot
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MargulesIII.nb (57.9 KB) - Mathematica Notebook [for Mathematica 5.2]