S(t) = S0 + ∑ni=1 ri ci(t)
where
S(t) | the experimental signal observed at time t |
S0 | offset on the signal axis (a property of the instrument) |
n | number of unique molecular species participating in the reaction mechanism |
ci(t) | the concentration of the ith species at time t |
ri | the molar response coefficient of the ith species |
In this case, n = NUMBER-OF-SPECIES. The molecular species participating in the mechanism are: LIST-OF-SPECIES.
The concentrations of these molecular species at time t are computed from their initial concentrations (at time zero, t = 0) by solving an initial-value problem defined by a system of simultaneous first-order Ordinary Differential Equations (ODEs) listed below.