Calculation of High-Pressure Chemical Equilibrium: Case of ammonia synthesis

computes extent of reaction and Kv for various pressures at 800K

We use the SRK equation of state to compute the correction factor due to gas-phase nonideality as a result of the high pressure applied in the ammonia synthesis. We also compute the extent of reaction. Plots of these two quantities versus pressure for temperature equal to 800K are presented. The same problem was solved with Mathcad by S. I. Sandler, Chemical and Engineering Thermodynamics, 3rd Edition, Wiley 1999 (Illustration 9.1-8 page 654).

The extent of reaction is high and approaches one at very high pressure and low temperature, as expected from LeChatelier's rule. Kv is close to one at low pressure and is considerably smaller than one for high pressure, which indicates that this correction factor must be taken into account at high pressure.

For a similar treatment using Mathematica 6.0, please visit:

http://demonstrations.wolfram.com/HighPressureChemicalEquilibrium/