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
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.

  

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