Vapor-liquid equilibria and enthalpies of mixing in a temperature range from 298.15 to 413.15 K for the further development of modified UNIFAC (Dortmund)
R. Wittig et al., Vapor-liquid equilibria and enthalpies of mixing in a temperature range from 298.15 to 413.15 K for the further development of modified UNIFAC (Dortmund), IND ENG RES, 40(24), 2001, pp. 5831-5838
Isothermal P-x data (VLE) and excess enthalpy (h(E)) data for the binary sy
stems methyl formate, ethyl formate, and butyl formate + water and toluene
+ 1,2-ethanediol have been measured with the help of a computer-operated st
atic apparatus and an isothermal flow calorimeter. Additionally, h(E) data
for the binary systems benzene + 1,2-ethanediol and benzene and ethanol + N
,N-dimethylacetamide have been determined. The experimental VLE and h(E) da
ta have been used for the revision and extension of the group contribution
method Modified UNIFAC (Dortmund). Besides these new data various types of
thermodynamic data (vapor-liquid equilibria (VLE), excess enthalpies (h(E))
, activity coefficients at infinite dilution (gamma (infinity)), liquid-liq
uid equilibria (LLE), solid-liquid equilibria (SLE), and azeotropic data (A
ZD)) taken from the Dortmund Data Bank have simultaneously been used for fi
tting temperature-dependent group interaction parameters. The new or revise
d Modified UNIFAC (Dortmund) parameter pairs for the new main group "dialky
lated amides" and the interaction between formates. and water are given. Th
e predicted results are in good agreement with the experimental data.