Equilibrium Reactor Functions using Matlab

 

Two examples will be shown in this section of the notes and compared with results from Aspen and results reported in Thermodynamics texts:

  1. Methanol Reactor A look at methanol reactors from an example in Kyle
  2. Water Gas Shift Reactor An example from Smith, Van Ness & Abbott

Equilibrium in a Methanol Reactor

Conversion of CO

Temperature

500

500

Pressure atm

1

100

Ideal Conversion from Kyle

0.00267

0.815

Ideal Conversion from Matlab

0.00267

0.8149

Peng-Robinson RSTOIC Conversion in Aspen

0.003

0.914

Peng-Robinson RGIBBS Conversion in Aspen

0.003

0.984

PR-BM RSTOIC Conversion in Aspen

-

0.904

PR-BM RGIBBS Conversion in Aspen

-

0.904

Equilibrium in a Water Gas Shift Reactor

Conversion of CO

Temperature K

1100

1100

1650

Pressure bar

1

1

1

CO/H2O molar ratio

1

0.5

1

Ideal Conversion from Smith et al

0.500

0.667

0.36

Ideal Conversion from Matlab

0.4939

0.6594

0.3666

PR-BM RGIBBS Conversion in Aspen

0.499

-

-