Matrix structure

The mass conservation principle for each process is expressed in the rows of the matrix. If all components are included (none omitted) then the mass conservation principle states that, for each process:

: \text{for all process } i:\sum_{j=1}^n a_{ij} \dot{\rho_j} = 0 ;,

where \dot{\rho_j} is the density rate of each component. This can also be seen as the process stoichiometric relation.

Moreover, the rate of variation of each component for all processes simultaneous effect can be easily assessed by summing the columns:

: \text{for all component } j: \frac{\partial C_j}{\partial t} = \sum_{i=1}^m a_{ij} r_i ; ,

where r_i are the reaction rates of each process.

Example

A system of a third order reaction followed by a Michaelis–Menten enzyme reaction.

: {A} + 2B - S : {E} + S [k_f][k_r] ES -[k_\mathrm{cat}] {E} + P

where the reagents A and B combine forming the substrate S (S = AB2), which with the help of enzyme E is transformed into the product P. Production rates for each substance is:

:\begin{align} \frac{d [\ce A]}{d t} &= -k_1[\ce A][\ce B]^2 \[6pt] \frac{d [\ce B]}{d t} &= -2 k_1[\ce A][\ce B]^2 \[6pt] \frac{d [\ce S]}{d t} &= k_1[\ce A][\ce B]^2 - k_f[\ce E][\ce S] + k_r[\ce{ES}] \[6pt] \frac{d [\ce E]}{d t} &= - k_f[\ce E][\ce S] + k_r[\ce{ES}] + k_\ce{cat}[\ce ES] \[6pt] \frac{d [\ce ES]}{d t} &= k_f[\ce E][\ce S] - k_r[\ce{ES}] - k_\ce{cat}[\ce{ES}] \[6pt] \frac{d [\ce P]}{d t} &= k_\ce{cat}[\ce ES] \end{align}

Therefore, the Petersen matrix reads as

The Petersen matrix can be used to write the system's rate equation

: \begin{pmatrix} \frac{d}{d t}[\ce A] \ \frac{d}{d t}[\ce B] \ \frac{d}{d t}[\ce S] \ \frac{d}{d t}[\ce E] \ \frac{d}{d t}[\ce{ES}] \ \frac{d}{d t}[\ce P] \end{pmatrix}

\begin{bmatrix} -1 & 0 & 0 & 0 \ -2 & 0 & 0 & 0 \ +1 & -1 & +1 & 0 \ 0 & -1 & +1 & +1 \ 0 & +1 & -1 & -1 \ 0 & 0 & 0 & +1 \end{bmatrix} \begin{pmatrix} k_1[\ce A][\ce B]^2 \ k_f[\ce E][\ce S] \ k_r[\ce{ES}] \ k_\ce{cat}[\ce{ES}] \end{pmatrix}

References

References

1. Russell, David L.. (2006). "Practical wastewater treatment". Wiley.
2. Fang, editor, Herbert H.P.. (2010). "Environmental anaerobic technology : applications and new developments". Imperial College Press.