UNIFAC parameters for maleic anhydride and 2-methyl furan in p-dioxane system
The purpose of this work was to develop a method for calculating equilibrium concentrations for reversible liquid phase reactions from a minimum of experimental data. The example reaction studied was the Diels Alder reaction between 2-methyl furan and maleic anhydride. Specifically, interaction parameters of the UNIFAC model for groups in the compounds 2-methyl furan, maleic anhydride and the solvent, p-dioxane, were determined. The activity coefficient of each substance was then predicted by the UNIFAC method. Equilibrium constants at 45/sup 0/C for the Diels Alder reaction between 2-methyl furan and maleic anhydride were then calculated from these activity coefficients and two previously determined sets of equilibrium concentrations at 45/sup 0/C. These two equilibrium constants were within 12% of each other, which demonstrated the validity of the method.
- Research Organization:
- Missouri Univ., Rolla (USA). Dept. of Chemical Engineering
- DOE Contract Number:
- FG47-81R701250
- OSTI ID:
- 6753602
- Report Number(s):
- DOE/R7/01250-T4; ON: DE84010435
- Resource Relation:
- Other Information: Portions are illegible in microfiche products. Thesis
- Country of Publication:
- United States
- Language:
- English
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