Quiz 2 Kinetics for methanol synthesis reaction

The kinetics for the CO2 hydrogenation

2
and reverse water-gas shift reactions

for
methanol synthesis are given by

2
=

2
[1
1

,1
(

2
3

2
)]
[1 +

2
) +

2
+

]
3

2
[1
,2
(

2
)]
1 +

2
) +

2
+

where the corresponding parameters are given in the following table:
Table 1 Kinetics and equilibrium parameters
= exp (

)
A B
ka 0.499 17197
kb 6.62 10
-11
124119
kc 3453.38 -
kd 1.07 36696
ke 1.22 10
10
-94765

= 10
(

)

A B
Keq,1 3066 10.592
Keq,2 2073 2.029

Where Rg = 8.314 J/mol.K
Write a matlab m-file function to compute the rate of hydrogenation reaction rco2 and water
gas shift reaction rwgs for various values of partial pressures of carbon dioxide (pco2), carbon
monoxide (pco), hydrogen (ph2), water (ph2o), methanol (pch3oh) and temperature T. The
first line of your function should look as follows:
function [rco2,rwgs] = methanol_kinetics(T,pch3oh,pco,pco2,ph2,ph2o)
Use your function to compute rate of hydrogenation reaction

2
and water gas shift reaction

values for the following values of partial pressure pis and temperature T:



T (K) pch3oh
(bar)
pco (bar) pco2 (bar) ph2 (bar) ph2o (bar)
525 0 1.5 0.5 8 0
525 0.101 1.454 0.485 7.935 0.025
525 0 15 5 80 0
525 15.98 5.42 4.99 72 1.61
525 0 0.5 1.5 8 0
525 0.044 0.606 1.367 7.837 0.146
525 0 5 15 80 0
525 4.96 3.52 13.51 75.03 2.98
550 0 1.5 0.5 8 0
550 0.038 1.506 0.471 7.952 0.033
550 0 15 5 80 0
550 12.44 7.42 7.36 71.65 1.13
550 0 0.5 1.5 8 0
550 0.025 0.646 1.34 7.821 0.168
550 0 5 15 80 0