Modeling Complex Chemical Reactions

Mathematically, if A decays to B, GoldSim computes the rate of change of mass (at a particular location) as follows:

     dMA/dt = - MA λA

     dMB/dt =   MA λA RBA WB / WA

where:

MA

= the mass of species A (mass);

dMA/dt

= the rate of change of species A (mass/time);

dMB/dt

= the rate of change of species B (mass/time);

λA

= decay rate of species A (1/time);

RBA

= stoichiometry (moles B produced per moles A decayed);

WA

= molecular (or atomic) weight of species A; and

WB

= molecular (or atomic) weight of species B.

These equations are appropriate for first-order decay reactions.

   Note: In order to model reactants, you must have the RT Module.  If you are using the CT Module, you can model decay, but cannot model any reactants.

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