Homogeneous Chemical Kinetics

 

This spreadsheet will compute the time evolution of a homogeneous reacting ideal gas mixture in a closed system. The model accounts for finite-rate elementary chemical reactions, and can perform kinetic sensitivity analysis with respect to the reaction rates. The program considers four problem types: (1) constant pressure; (2) constant volume; (3) constant temperature and pressure; and (4) constant temperature and volume.

  Initial Temperature:

(Required)  
Initial Pressure:

(Required)  
Integration Time:

seconds

(Required)

Time Interval:

seconds

(Required)

Ignition Temperature:

(Optional)

 

Calculation Constraints

You must choose exactly one constraint for the calculation. Time dependent volume and temperature calculations are not currently supported.

 

Constant Pressure

 

Constant Volume

Constant Temperature & Pressure

 

Constant Temperature & Volume

 

Mechanisms

At the present time, only pre-defined chemical mechanisms can be implemented by the code. Choose one of these from the pull-down menu below.

 

Species List  

 

 

Reactant Mixture Composition

In the table below enter the names of the species initially present and their amounts. The composition may be entered in moles or mole fractions.
 

Species Name

Moles or
Mole Fraction

 

Post Processing Composition

To view the results of the calculation it is necessary to specify whether the composition is displayed in terms of mole fraction or mass fraction.

  

    Having trouble? Please click on the button
to see a list of recognized species names