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Reaction rate equation

Set

context R,JN
context ν,ν+Matrix(R,J,Q)
context kRR
definiendum [A]it
jrange(J)
postulate [A]:C(R,RJ)
range ::[A](t)
postulate t[A]j=Rr=1kr(ν+rjνrj)Ji=1[A]νrii

The quantities R and J denote the number of reactions and the number of different species. Then νrj and ν+rj are stochastic coefficients of the reactants and products and kr is the reaction rate coefficient of the r's reaction.

Physically speaking, for each microscopic particle collision the reaction rate coefficient kr gives the probability that νrj of the reactants transform into ν+rj of the products. The rate is moreover proportional to the probability of encounter and hence the product to the momentary concentrations themselves.

Non-time resolved, this reads for all r

Jj=1ν(e)rjAjkrJj=1ν(p)rjAj.

For example, the simplest carbon combustion process: CH4+2 O2CO2+2 H2O.

(Or more explicitly: 1 CH4+2 O2+0 CO2+0 H2O0 CH4+0 O2+1 CO2+2 H2O.)

In practice, k depends on the temperature, which, through the equation of state, can again be a nonlinear function of the concentrations.

Reference

Wikipedia: Rate equation


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