Chemical Kinetics Matrix Fbe1D3
1. **Problem Statement:**
We have three chemical species $A_1$, $A_2$, and $A_3$ undergoing the following reactions with first-order kinetics:
$$
A_1 \xrightarrow{k_1} A_2, \quad A_2 \xrightleftharpoons[k_{-2}]{k_2} A_3, \quad A_3 \xrightarrow{k_3} A_1
$$
We want to write the differential equations for the concentrations $[A_i]$ in matrix form.
2. **Writing the rate equations:**
- For $A_1$:
- It is consumed by the reaction $A_1 \to A_2$ at rate $k_1 [A_1]$.
- It is produced by the reaction $A_3 \to A_1$ at rate $k_3 [A_3]$.
So,
$$\frac{d[A_1]}{dt} = -k_1 [A_1] + k_3 [A_3]$$
- For $A_2$:
- It is produced by $A_1 \to A_2$ at rate $k_1 [A_1]$.
- It is consumed by the forward reaction $A_2 \to A_3$ at rate $k_2 [A_2]$.
- It is produced by the backward reaction $A_3 \to A_2$ at rate $k_{-2} [A_3]$.
So,
$$\frac{d[A_2]}{dt} = k_1 [A_1] - k_2 [A_2] + k_{-2} [A_3]$$
- For $A_3$:
- It is produced by $A_2 \to A_3$ at rate $k_2 [A_2]$.
- It is consumed by the backward reaction $A_3 \to A_2$ at rate $k_{-2} [A_3]$.
- It is consumed by $A_3 \to A_1$ at rate $k_3 [A_3]$.
So,
$$\frac{d[A_3]}{dt} = k_2 [A_2] - (k_{-2} + k_3) [A_3]$$
3. **Matrix form:**
Define the concentration vector:
$$\mathbf{C} = \begin{bmatrix} [A_1] \\ [A_2] \\ [A_3] \end{bmatrix}$$
The system can be written as:
$$\frac{d\mathbf{C}}{dt} = \mathbf{M} \mathbf{C}$$
where the matrix $\mathbf{M}$ is:
$$\mathbf{M} = \begin{bmatrix}
-k_1 & 0 & k_3 \\
k_1 & -k_2 & k_{-2} \\
0 & k_2 & -(k_{-2} + k_3)
\end{bmatrix}$$
4. **Explanation:**
- Each diagonal element of $\mathbf{M}$ is negative and represents the total rate of consumption of that species.
- Off-diagonal elements represent production rates from other species.
- This matrix form compactly represents the coupled differential equations for the system.
**Final answer:**
$$\frac{d}{dt} \begin{bmatrix} [A_1] \\ [A_2] \\ [A_3] \end{bmatrix} = \begin{bmatrix}
-k_1 & 0 & k_3 \\
k_1 & -k_2 & k_{-2} \\
0 & k_2 & -(k_{-2} + k_3)
\end{bmatrix} \begin{bmatrix} [A_1] \\ [A_2] \\ [A_3] \end{bmatrix}$$