Single set of parameters for a wide

temperature range 0-100 C (Data Selection)

All kinds of phase equilibrium data(solubility, , VLE) ,
excess enthalpy(HE ) data have been collected from as many
sources as possible. HE data have been used because,

E
i

ln i
RT

T
2

Single set of parameters for a wide

temperature range 0-100 C(Best Parameters)

Pair(i-j)
Hexane-Water

Water-Butanol

Hexane-Butanol

i,j

3381.24

7.478

-.0167

.22

j,i

2013.85

-17.886

.1527

i,j

1031.46

6.315

.00096

j,i

229.43

.585

-.0387

i,j

910.21

-.307

-.003

j,i

323.42

-2.157

.018

.41

.55

Single set of parameters for a wide

temperature range 0-100 C (Results)
Pair

Average error in
Solubility (in %)
1 in 2
2 in 1

Average error in
(in %)
1 in 2
2 in 1

Average error in
(in %)
1 in 2
2 in 1

Average error
in HE
(in %)

Dsw
(25 C)

exp/
cal
HexaneWater
WaterButanol
HexaneButanol

1.13

5.49

5.52

12.48

8.47

8.98

3.14

6.49

12.21

11.02

2.13

2.57

3.52

8.53

1.2,
1.45/
1.45

Single set of parameters for a wide

temperature range 0-100 (Results)
Butanol
0.0
0.1

1.0

exp (L1 phase)

exp ( L2 phase)

0.9

0.2

25 (L1 phase)
25 (L2 phase)

0.8

0.3

40 (L1 phase)
40 (L2 phase)

0.7

0.4

60 (L1 phase)
60 (L2 phase)

0.6

0.5

75 (L1 phase)
75 (L2 phase)

0.5

0.6

0.4

0.7

0.3

0.8

0.2

0.9

0.1

1.0

Water

0.0

0.0
0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1.0

Hexane

Single set of parameters for a wide

temperature range 0-100 (Results)

mole fraction of butanol in L1 phase

0.6

0.5

0.4

Ref 22
Ref 1
25
40
60
75

0.3

0.2

0.1

0.0
0.0

0.1

0.2

0.3

0.4

0.5

0.6

mole fraction of butanol in feed

5