1 TAME synthesis problem Tert-Amyl Methyl Ether (TAME) is an ...

Additional information for solving the problem
• Thermodynamic equilibrium constants, activity based (Vilarinho Ferreira and Loureiro, 2001)
3
⎛ 5.
0166×
10 ⎞
Keq = exp ⎜
− 10.
839 ⎟
1
(I.1)
⎝ T
⎠
3
⎛ 3.
7264×
10 ⎞
Keq = exp ⎜
− 9.
6367 ⎟
2
(I.2)
⎝ T
⎠
Keq
Keq = (I.3)
1
3
Keq2
with: T in Kelvin
• Kinetic constants for the direct reactions (Kiviranta-Pääkkönen et al., 1998)
k
k
k
1
2
3
3
10 ⎛ 76.
8×
10 ⎞
= 3 . 2870 × 10 exp ⎜
⎜−
⎟
(I.4)
⎝ R T ⎠
3
13 ⎛ 99.
7 × 10 ⎞
= 3 . 9682 × 10 exp ⎜
⎜−
⎟
(I.5)
⎝ R T ⎠
3
10 ⎛ 81.
7 × 10 ⎞
= 7 . 4767 × 10 exp ⎜
⎜−
⎟
(I.6)
⎝ R T ⎠
with: k in mol.
T in Kelvin
−1
kg cat .s -1
R = 8.314 J.mol -1 .K -1
• Adsorption constants for each component, activity based (calculated and adapted from Oktar et
al., 1999)
3
⎛ 4.
6825×
10 ⎞
K1B = exp ⎜
− 10.
157 ⎟ , 1B = 2M1B (I.7)
⎝ T
⎠
3
⎛ 3.
4420 × 10 ⎞
K = exp ⎜
− 6.
5849 ⎟
2B
, 2B = 2M2B (I.8)
⎝ T
⎠
3
⎛1.
0014 × 10 ⎞
K M = exp ⎜
+ 4.
7496 ⎟ , M = MeOH (I.9)
⎝ T
⎠
3
⎛ 2.
3934 × 10 ⎞
KT = exp ⎜
− 3.
5736 ⎟ , T = TAME
⎝ T
⎠
with: T in Kelvin
(I.10)
2