# Theory

Biofilm.jl simulates a one-dimensional biofilm within a stirred tank reactor. The dependent variables include the

- tank particulates (biomass) concentration(s) $X$,
- tank solute concentrations $S$,
- biofilm particulate (biomass) volume fractions $P_b$,
- biofilm solute concentrations $S_b$, and
- biofilm thickness $L_f$.

## Tank Equations

### Particulates

The governing equation describing the particulate concentrations in the tank environment is

\[\frac{d X_{t,j}}{dt} = \mu_j(\mathbf{S}_t) X_{t,j} - \frac{Q X_{t,j}}{V} + \frac{v_\mathrm{det} A X_{b,j}(L_f)}{V} + \mathrm{src}_{X,j}\]

for $j=1,\dots,N_x$, where $t$ is time, $\mu_j(\mathbf{S}_t)$ is the growthrate of the $j^\mathrm{th}$ particulate, $Q$ is the flowrate, $V$ is the volume of the tank, $v_\mathrm{det}=K_\mathrm{det} L_f^2$ is the detachment velocity, $A$ is the area of the biofilm, $X_{b,j}(L_f)$ is the $j^\mathrm{th}$ particulate concentration at the top of the biofilm, and $\mathrm{src}_{X,j}$ is the source term for the $j^\mathrm{th}$ particulate.

The terms on the right-hand-side (RHS) are

- the growth of the particulate in the tank,
- transport due to flow out of the tank,
- transfer of particulates from the biofilm to the tank due to detachment, and
- source term.

### Solutes

The governing equation describing the solute concentrations in the tank environment is

\[\frac{d S_{t,k}}{dt} = -\sum_{j=1}^{N_x} \frac{\mu_j(\mathbf{S}_t) X_{t,j}}{Y_{j,k}} + \frac{Q S_{\mathrm{in},k}}{V} - \frac{Q S_{t,k}}{V} + \frac{A S_{\mathrm{flux},k}}{V} + \mathrm{src}_{S,k}\]

for $k=1,\dots,N_s$, where $S_{\mathrm{flux},k}$ is the flux of solutes from the biofilm into the tank, and $\mathrm{src}_{S,k}$ is the source term for the $k^\mathrm{th}$ solute.

The terms on the right-hand-side (RHS) are

- consumption of solutes due to the growth of the particulate in the tank,
- transport due to flow into the tank,
- transport due to flow out of the tank,
- transfer of solutes into the biofilm due to diffusion, and
- source term.

## Biofilm Equations

### Particulates

The governing equations describing the biofilm environment are

\[\frac{d P_{b,j,i}}{dt} = \mu_j(\mathbf{S}_{b,i}) P_{b,j,i} - \frac{d v_i P_{b,j,i}}{dz} + \frac{\mathrm{src}_{X,j,i}}{\rho_j}\]

for $j=1,\dots,N_x$ and $i=1,\dots,N_z$. Where $P_{b,j,i}$ is the $j^\mathrm{th}$ particulate at the $i^\mathrm{th}$ grid point within the biofilm.

The terms on the right-hand-side (RHS) are

- the growth of the particulate in the biofilm,
- transport through the biofilm due to the growth velocity $v_i$, and
- source term of particulate at $i^\mathrm{th}$ location in biofilm.

The growth velocity $v_i$ is the rate of flow through the biofilm due to growth deeper within the biofilm and is defined with

\[v_i= \int_{z=0}^{z_i}{\sum_{j=1}^{N_x} \frac{1}{P_\mathrm{tot}}\left(\mu_j(\mathbf{S}_{b,i}) P_{b,j,i} + \frac{\mathrm{src}_{X,j}}{\rho_j}\right) ~dz}\]

where $P_\mathrm{tot}=\sum_{j=1}^{N_x}{P_{b,j}}$

### Solutes

\[\frac{d S_{b,k,i}}{dt} = D_{e,k}\frac{d^2 S_{b,k,i}}{dz^2} - \sum_{j=1}^{N_x} \frac{\mu_j(\mathbf{S}_{b,i}) X_{b,j,i}}{Y_{j,k}} + \mathrm{src}_{S,k,i}\]

for $k=1,\dots,N_s$ and $i=1,\dots,N_z$.

The terms on the right-hand-side (RHS) are

- diffusion of solutes in the biofilm,
- consumption of solutes due to the growth of the particulate in the biofilm, and
- source term of solute at $i^\mathrm{th}$ location in biofilm.

The diffusion term with a second derivative w.r.t. $z$ requires boundary conditions at the top and bottom of the biofilm. A zero-flux (zero first-derivative) condition is used at the bottom of the biofilm. At the top of the biofilm the diffusion through the boundary layer is matched with the diffusion into the biofilm, i.e.,

\[D_{aq,k}\frac{d^2 S_{k}}{dz^2} = D_{e,k}\frac{d^2 S_{b,k,N_z}}{dz^2} \]

for $k=1,\dots,N_s$, where $D_e$ is the diffusion coefficient in the biofilm and $D_\mathrm{aq}$ is the diffusion coefficient in the boundary layer.

### Biofilm Thickness

The thickness of the biofilm $L_f$ is described by

\[\frac{d L_f}{dt} = v_{N_z} - v_\mathrm{det}\]

where the first term on the RHS is the growth velocity at the top of the biofilm (see Biofilm Particulates) and the second term is the detachment velocity modeled with $v_\mathrm{det}=K_\mathrm{det} L_f^2$