Chemistry Reactions Kinetics Eng.

Javier Ramiro Morales Hernndez

Compute of the Reaction Coordinate Utilizing Solver of EXCEL

This tutorial will show the steps necessary to compute the reaction coordinate since EXCEL. The following example will be used: Problem statement: Stoichiometric ratios of CO and H2 are fed to a reactor.
( )

Suppose this reaction is carried out at 500K and 1 bar. We can determine that ( ) at 500K. Compute the equilibrium conversion of CO.

1. Estimate the equilibrium constant in reaction coordinate function (assuming ideal gas, ).

2. Substituting values in the equation we have:

3. Calculate the finally mole for all species in reaction coordinate function with the formula , supposing calculating basis 1 mole of CO fed.

4. Estimate the mole fraction for all species with the formula:

5. Substituting in the equilibrium constant equation: ( ( ) )

Chemistry Reactions Kinetics Eng. Javier Ramiro Morales Hernndez

Compute of the Reaction Coordinate Utilizing Solver of EXCEL

6. Equaling at zero the equation. ( 7. Open the blank spreadsheet of Excel. Click ) ( )

8. Assuming one value for the reaction coordinate (for example =0.1).

9. With this value, compute the equation from step 6. The value should give approximately -0.7670.

10. Then, find Datos and click in solver. Click

Chemistry Reactions Kinetics Eng. Javier Ramiro Morales Hernndez

Compute of the Reaction Coordinate Utilizing Solver of EXCEL

11. Specify the objective cell, click in the value and put on zero.

Click

12. Then click the cambiando las celdas de variable, and select the cell of the reaction coordinate value. Lastly click on resolver.

Click

13. Finally, click in aceptar in the following windows. You are find the reaction coordinate (=0.002571).

Click