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Prediction of solvent activities using the UNIFAC-FV model (1987)

Bekker, Alex Y. ; Knox, Dana E. ; Sund, Steven E.

Springer

Journal of solution chemistry 16 (1987), S. 635-639

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ISSN: 1572-8927

Keywords: Activity ; free volume ; group contribution ; temperature dependence ; UNIFAC

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract A UNIFAC group contribution method with an explicit temperature dependent free volume term has been developed. The systems used in the development were benzene-polyethylene oxide from 319 to 423 K and n-hexane—n-hexadecane from 303 to 333K. The addition of temperature dependence to the proportionality factor in the free volume expression decreased the average error in prediction of the solvent activities from 15% to 6%.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00649090

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