ISSN:
1572-8927
Keywords:
Cyclohexane
;
methanol
;
thermodynamic modeling
;
virial coefficient formalism
;
methanol tetramer
;
phase diagram
;
high temperature
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The phase diagram of cyclohexane-methanol was thermodynamically modeledin the range of 150 ≤ T/K ≤ 360 and at a pressure of 1 bar on the basis ofavailable experimental data. The Gibbs energy functions of four pure solid andtwo mixture phases were taken into consideration. The liquid phase was describedby a model based on mole fraction statistics and the simplified assumption ofmethanol tetramers mixed with cyclohexane monomers. The gas phase was treatedas a nonideal mixture with a Gibbs energy modeled on the basis of the virialcoefficient formalism considering only monomers. The Gibbs energies of the twosolid modifications of pure methanol, as well as pure cyclohexane, were fixedusing literature data. The pressure dependence of the Gibbs energies of the liquidand solid phases were neglected. The complete T-x phase diagram includinggas/liquid equilibria as well as p-x phase diagrams in the range of 20 and 55°C werecalculated. Experimental and calculated data were found to agree reasonably well.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1005183028875
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