Chemical Kinetics

Chemical Kinetics is a tool for accurate estimation of reaction kinetics parameters. The application analytically solves chemical reaction rate equations and provides graphical representation of reagent and product concentration or pressure vs time. Additionally, the app calculates equilibrium component concentrations or pressures and equilibrium constant and half life times (where it is appropriate).

The application features:

The user is provided with list of basic mono-step unidirectional and equilibrium reactions, where reaction coefficients are representing powers and therefore define the reaction order:

2A->B, rate=k[A]^2;

A+B<=>C+D , rate=k1[A][B]-k2[C][D];

k1 is a rate coefficient of forward reaction in equilibrium process or rate coefficient for first step in multistep process. Similarly, k2, when available, is a rate coefficient of backward reaction in equilibrium process or rate coefficient for second step in multistep process.

To start plotting the reaction data initially or after updating the concentration or coefficient fields, user is requested to tap RUN button.

Info button calls for basic information window providing component concentrations at certain time point (defined by user or provided automatically), optionally equilibrium constant value and half-life time.

When time field is empty, the app automatically determines the time range. To redefine reaction time limit and find out component concentrations at some point in time user may update the time field.

Significant attention should be paid to units of rate coefficients. App automatically changes the set of available units as per order of reaction.