Ethyl tert-butyl ether (ETBE) (C6H14O)

List of Groups
Count Sub Group Main Group Group Description Color
Original 4 1 1 CH3
UNIFAC
1 4 1C
1 25 13 CH2O

List of Groups
Modified Count Sub Group Main Group Group Description Color
UNIFAC 4 1 1 CH3
(Dortmund) 1 4 1C
1 25 13 CH2O

List of Groups
Predictive Count Sub Group Main Group Group Description Color
Soave- 4 1 1 CH3
Redlich-
1 4 1C
Kwong
(PSRK) 1 25 13 CH2O
 Isobutylene (C4H8)
List of Groups List of Groups
Count Sub Group Main Group Group Description Color Count
2 1 1 CH3 1
1 7 2 CH2=C 1
1

Count Sub Group Main Group Group Description Color Count

2 1 1 CH3 1
1 7 2 CH2=C 1
1

Count Sub Group Main Group Group Description Color Count

2 1 1 CH3 1
1 7 2 CH2=C 1
1

Count Sub Group Main Group Group Description Color

1 1 1 CH3
1 2 1 CH2
1 14 5 OH
Count Sub Group Main Group Group Description Color
2 1 1 CH3
1 7 2 CH2=C
Count Sub Group Main Group Group Description Color
4 1 1 CH3
1 4 1C
1 25 13 CH2O
 Ethanol (C2H6O)
List of Groups
Sub Group Main Group Group Description Color
1 1 CH3
2 1 CH2
14 5 OH

Sub Group Main Group Group Description Color

1 1 CH3
2 1 CH2
14 5 OH (p)

Sub Group Main Group Group Description Color

1 1 CH3
2 1 CH2
14 5 OH

Sub Group Main Group Group Description Color

1 1 CH3
2 1 CH2
14 5 OH
1 1 CH3
7 2 CH2=C
4 1 C
25 13 CH2O
1 Group Description Color Main Group k Rk Qk ϑk1 ϑk2
CH3 1 1 0.9011 0.848 1 2
CH2 1 2 0.6744 0.540 1 0
OH 5 15 1.0000 1.200 1 0
CH2=C 2 7 1.1173 0.988 0 1
C 1 4 0.2195 0.000 0 0
CH2O 13 25 0.9183 0.780 0 0

2
Componente i ri qi
Ethanol (C2H6O) 1 2.5755 2.588
Isobutylene (C4H8) 2 2.9195 2.684
Ethyl tert-butyl ether (ETBE) 3 4.7422 4.172

3 Calcular e ki para cada subgrupo k en cada componente i

eki

k et-OH (1) i-B (2) ETBE (3)

1 0.328 0.632 0.813
2 0.209 0.000 0.000
15 0.447 0.000 0.000
7 0.000 0.368 0.000
4 0.000 0.000 0.000
25 0.000 0.000 0.187

4 Parametros de interaccion entre grupos amk

1 1 5 2
1 0 0 986.6 86.02
1 0 0 986.5 86.02
5 156.4 156.4 0 457
2 -35.36 -35.36 74.15 0
1 0 0 986.5 86.02
13 83.36 83.36 237.7 26.51

5 Parametros de interaccion entre grupos amk

1 1 5 2
1
1
 5
2
1
13
 ϑk3 1 2 5 13
4 1 0 86.02 986.5 251.5 OH
0 2 -35.36 0 524.1 214.5
0 5 156.4 457 0 28.06
0 13 83.36 26.51 237.7 0 CH2O
1
1

0 0 0
0 0 0

1 13
0 251.5
0 251.5
156.4 20.06
-35.36 214.5
0 251.5
83.36 0

1 13
 Count Sub Group Main Group
ACCH 5 14 0.8121 0.3 1 1 1 CH3
OH 5 15 1.0000 ### 1 2 1 CH2
1 14 5 OH
CountSub Group
Main Group
Group Description Color
CH3O 13 25 1.145 1 2 1 1 CH3
CH2O 13 26 0.9183 1 1 7 2 CH2=C
Count Sub GroMain G Group DescriColor
4 1 1 CH3
1 4 1
1 25 13
Group Description Color

C
CH2O
MTBE Molecula 3
Count Sub Group Main Group Group DescriRk Qk Group Description
3 1 1 CH3 0.9011 0.848
1 4 1C 0.2195 0
1 25 13 CH2O 1.145 1.088

I C4 H8 Molecula 2

Count Sub Group Main Group

Group Description RK QK
2 1 1 CH3 0.9011 0.848
1 7 2 CH2=C 1.1173 0.988

Metanol Molecula 1
Count Sub Group Main Group
Group Description RK QK
1 16 6 CH3OH 1.4311 1.432

Grupo Main group Sub group(K) RK QK ϑk1 ϑk2

CH3 1 1 0.9011 0.848 0 2
C 1 4 0.2195 0 0 0
CH2O 13 25 1.145 1.088 0 0
CH2=C 2 7 1.1173 0.988 0 1
CH3OH 6 16 1.4311 1.432 1 0
3)Calculo de ri y qi
ri qi
Metanol 1.4311 1.432
C4H8 2.9195 2.684
MTBE 4.0678 3.632

4) Calcular e ki para cada subgrupo k en cada componente i

eki
k Metanol C4H8 MTBE
1 0 0.6318927 0.70044053
4 0 0 0
25 0 0 0.29955947
7 0 0.3681073 0
16 1 0 0

5=Parametros de interacción con GRUPOS AMK

1 1 2 6 13
1 0 0 86.02 697.2 251.5
1 0 0 86.02 697.2 251.5
2 -35.36 -35.36 0 787.6 214.5
6 16.51 16.51 -12.52 0 -128.6
13 86.36 86.36 26.51 238.4 0
Group Description Color Main Group Sub Group k Rk Qk ϑk1
CH3 1 1 1 0.9011 0.848 1
CH2 1 2 2 0.6744 0.540 1
OH 5 14 15 1.0000 1.200 1
CH2=C 2 7 7 1.1173 0.988 0
C 1 4 4 0.2195 0.000 0
CH2O 13 25 25 0.9183 0.780 0

ϑk3
3
1
1
0
0
ϑk2 ϑk3
2 4
0 0
0 0
1 0
0 1
0 1