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Computer Simulation
Polymath can be used to simulate the above process in order to facilitate the task of determining
the rate law and the kinetics of the reaction:
The preceeding elementary hydrogenation reaction cab be represented as:
A+BC
The concentrations of each species can be written as:
Performing mole balances on each species and combining them with the concentrations equations:
Hence the following ODE equations and appropriate explicit equations can be used to generate
the
polymath report:
Differential equations
=
= . ( )
=
The explicit equations can be for instances the values being attributed to the different constants
incolvedin the reaction: Kc, FT , CTo .