WOLFRAM|DEMONSTRATIONS PROJECT

Mass Balance in the Haber Process

​
reactor conditions
temperature
600
pressure
100
reactor feed flow rate
10
Consider the high-pressure synthesis of ammonia (
1.5
H
2
+0.5
N
2
⇋
NH
3
), known as the Haber process. We use the Peng–Robinson equation of state and the reaction-coordinate method to compute the extent of reaction,
ξ
in moles of
NH
3
per unit time (e.g., hours), for user-set values of the reactor temperature
T
in degrees Kelvin and pressure
P
in bars. This Demonstration carries out the mass balance around the reactor and splitter in order to compute the amount of ammonia produced when chemical equilibrium is reached in the reactor and in the recycle stream. We assume that: (1) the splitter separates the product (i.e., ammonia) perfectly from the reactants (i.e., nitrogen and hydrogen); and (2) the fresh feed contains stoichiometric amounts of nitrogen and hydrogen. As expected from Le Chatelier's principle, the amount of ammonia produced is greater at low temperatures and high pressures.