The general approach for modelling clogging is described by determine the pore space reduction based on BF development and SS retention. This change alters the initial soil hydraulic parameters (SHP) of the initial or clean filter media, hence the water flow behaviour is changed.
6.1. Clogging Due to SS
In the work of Hua et al. [
66], a model to estimate the clogging time based on SS is described. The conceptual model considers the effluent concentration of SS as a function of the operation time which is influenced by the gradual reduction of the infiltration rate and the particle size distribution of SS. Clogging is described as pore volume reduction caused by the mass of SS accumulated as volume over time. A mass balance (Equation (1)) is used to determine the accumulated SS (
Mss,
M) within the pore space based on the flow rate
Qin (L
3 T
−1) and the SS influent and effluent concentration (
Cin,
Cout, M L
−3). The SS mass in the outflow (
,
M) is assumed to relate to a certain particle size (
d0), hence a fraction of the total mass (Equation (2)). The certain sized SS accumulated in the pores would be washed off when the flow rate is higher than that of the maximum tolerated impact speed. Therefore,
is a function of the infiltration rate
(L T
−1) (Equation (3)). The calculation of
(Equation (4)) is based on the Hagen–Poiseuille equation in combination with Darcy’s law and the porosity
(-),
where
g is acceleration of gravity (L T
−2),
is the viscosity of the fluid (M T
−1 L
−1) and
is the fluid density (M L
−3). The authors further assume that
is a function of the operational time
.
After n days of operation, the SS mass accumulated within the pore space (
Mss,
n) is calculated as follows (Equation (5)): clogging is described as pore volume reduction, hence when a certain mass is reached the pore space is used up and a fully clogged state is reached. This threshold condition is described in Equation (6),
where
describes the total pore space per unit area (L),
(L
2) is the filter area,
is the height of the clogging layer (L) and
and
are the density (M L
−3) and moisture content (%) of SS, respectively. Values for the last named parameters are not provided by the authors.
Sani et al. [
15] present a model to describe the impact of SS on clogging. Three mechanisms are incorporated which affect particle transport in a filter, namely diffusion, sedimentation and particle adsorption. Settling and aggregation mechanisms are described in Equation (7),
where
is the SS concentration with particle sizes in the range of
i (M L
−1),
is the dispersion coefficient (L
2 T
−1),
is the depth (L),
is the vertically flowing water velocity (L T
−1),
vi is the fall velocity or settling velocity of SS of particle size
i (L T
−1),
is the source or sink term of the SS of particle size
i (M L
−3) and is used to take account of the effect of the aggregation or break-up of particles,
q(z) is the lateral inflow to the wetland (L
3 T
−1),
is the wetland area (L
−2) and
is the concentration of the SS of size
i in the lateral flow (M L
−3). For the described continuous flow system, Darcy’s law (Equation (8)) is used to model the water flow where
is calculated as,
where
is the hydraulic conductivity (L T
−1),
is the water head (L) and
z is the depth (L). Within Equation (7), lateral flow is neglected and effects of aggregation and breakup of SS are reflected by the dispersion coefficient and the settling velocity. A modified mass conservation model is given in Equation (9), where
R is the source or sink term of SS,
Four sub-models (Equations (10)–(13)) provide the needed parameters for Equation (9). Two mechanisms can be described using dispersion, namely molecular diffusion and mechanical dispersion [
71]. In this model, only mechanical dispersion is respected (Equation (10)),
where
is the mechanical dispersion (L
2 T
−1),
is the dispersivity (L) and
is the velocity based on Equation (8). The settling velocity for SS is represented using Equations (11) and (12) [
72].
where
represents the terminal settling velocity of an isolated particle of size
i,
is the hindered settling velocity,
is the total particle concentration (M L
−3) and n is an empirical parameter given the value of 5.1 [
72] as this represents the physical properties of the presented work [
15]. The parameter
is an adjustable parameter representing the average effect of the sedimentation velocity of varied particle sizes. The last equation to solve Equation (9) is the description of the source or sink term
R (Equation (13)). As attached BF supports SS accumulation, a form of the Monod equation [
73] is used to describe particle adsorption.
where
is the adsorbed SS concentration on the substrate grains,
is the maximum growth rate (T
−1) and
is the total SS concentration and
represents the half-saturation-coefficient (M L
−3) of the Monod equation. The reduction of the hydraulic conductivity based on the decreasing pore space is taken into account using the Kozeny–Carman Equation (14) [
74],
where
is the total volumetric specific deposit (L
3 L
−3), K
0 is the hydraulic conductivity (M T
−1) and
the porosity (-) of the clean filter respectively and p, x and y describe empirical parameters (-).
6.2. Bioclogging
Mostafa and van Geel [
75] present a microscopic conceptual model for bioclogging in unsaturated conditions. The voids in the unsaturated soil are simulated as capillary tubes with different diameters, where each diameter represents a volume of void space which can be filled at a certain capillary pressure. The capillary pressure–saturation relationship (Equation (15)) [
76] and the permeability equation [
77,
78] are used to determine the relationship of the flow factors with and without BF. The relationship between capillary pressure and saturation is described by,
where
is the capillary pressure (L) and
(L
−1), m and n are van Genuchten model parameters [
76]. The radii of the capillary tube can be determined by (Equation (16)),
where
is the radii of the capillary tube (L),
is the water surface tension (M T
−2) and
is the contact angle, which is generally set to 0. The bundle of capillary tubes representing the porous media is divided into a user specific number
N. The thickness of the BF
(L) is calculated using Equation (17) where the microbial volume
(L
3) is an input parameter. Equation (18) defines the relationship between the clean filter media and the impact of the BF thickness on the media. In a last step, the hydraulic conductivity (L T
−1) is updated based on the BF thickness in Equation (19). Growth and decay of BF is described using the Monod [
73] equation similar to Equation (20).
Brovelli et al. [
79] present a macro scale model describing the effect of BF growth on the hydraulic properties of saturated porous media. In their work, only BF in the immobile phase is considered. BF growth (Equation (20)) and decay (Equation (21)) are described using a Monod equation,
where
is the growth rate (T
−1),
X is the BF concentration (M L
−3),
is the maximum growth rate (T
−1), C is the concentration of the substrate (M L
−3) and K is the half saturation constant (M L
−3). The subscripts
ea and
s stand for electron acceptor and substrate respectively.
represents the lysis rate with
as the first-order decay constant (T
−1). As within a porous media, the space for growth of BF is limited. Brovelli et al. [
79] introduced a self-limiting function (Equation (22)) [
80,
81],
where
is the maximum BF content of the porous media per mass of solids and
and
represent the current amount of mobile and immobile BF, respectively.
is defined by an upper bound with a maximum near the porosity but generally should be smaller as with the increasing BF growth, nutrient transport becomes a diffusion-controlled process. To account for BF attachment and detachment, the authors [
79] adopted the classical deep-bed filtration. Thereby, the attachment coefficient (T
−1) (Equation (23)) is described as [
82,
83],
where
is the pore velocity (L T
−1),
is the characteristic grain diameter (L) and
is the collector efficiency representing the frequency of collisions between mobile BF and grain surface (-). The collector efficiency is used by the authors as fitting parameter during model calibration as its general determination is difficult to assess [
83]. Detachment due to shear forces is well discussed within the literature providing different approaches from dismissal [
84] to simplified laws independent from the flow velocity. Here, a semi-empirical equation proposed by Rittmann [
85] (Equation (24)) is used,
where
represents the detachment rate (T
−1),
is the viscosity of water (M L
−1 T
−1),
is the specific surface area (L
2) and
is an empirical parameter which is dependent on the experimental setup and calibrated for the work of Brovelli et al. [
79]. Rittmann [
85] proposes a value of 2.29 × 10
−6. When combining Equations (20) to (24) one gets the variation of BF over time,
where the subscripts
s and a refer to the immobile and mobile BF, respectively. As BF consists of up to 95% water, their density is assumed equal to that of water. Furthermore, the fraction of soil grains and water phase remain constant over time, hence solid BF is expressed as pore-fluid concentration instead of concentration per unit of soil [
79]. The porosity of the filter media and its reduction due to BF as calculated in Equations (27) and (28) are described as follows,
where
is the current porosity,
is the porosity of the clean material and
the porosity when occupied by BF. The latter represents the sum of different components of the BF, namely multiple bacteria strains, EPS and macromolecules. Therefore,
is calculated as,
where
represents the dry weight of the
ith component of the immobile BF (M),
is the bulk density of the clean porous media (M L
−3) and
is the density of the
ith component of the immobile BF (M L
−3). The change of the hydraulic conductivity based on the reduction of the pore space has been investigated based on experiments providing an exponential relationship (Equation (29)) [
86,
87],
where
and
are the relative hydraulic conductivity (L T
−1) and porosity (-), respectively, the subscript 0 represents the value of the clean media and, based on fitted data,
. The model based on Equation (29) assumes that BF clogs bigger pores first [
86]. Another model describing the reduction of the hydraulic conductivity is based on pore network simulations where the assumption is in contrast with the description above stating that BF growth occurs first in the smaller pores [
88]. This so called colonies model (Equation (30)) is described as
where
and
are adjustable parameters and
being interpreted as the relative volume of BF needed to get a maximum reduction of the hydraulic conductivity. This maximum reduction occurs when
approaches
. Good agreement on the model fitting is found in the literature [
84] with values between 0.4–0.9 for
and −1 to −1.9 for
. A third model presented assumes a single, connected layer of BF covering the wall of each pore leading to a reduction of the pore radius [
88]. Equation (31) presents the relationship of the hydraulic conductivity and the porosity as follows,
where
is the lower limit of the hydraulic conductivity. A good fit of the model was reached using parameters
in the range of 0.2–0.4 and 6 × 10
−3–6 × 10
−2 for
. Within the model, the update of the hydraulic conductivity is carried out using the presented Equations (29)–(31) but no detail on which is actually used, nor a comparison of modelling results, is given.
Rajabzadeh et al. [
62] implemented a computational fluid dynamics (CFD) model in COMSOL, accounting for spatial and temporal dynamics in VF wetlands. The model combines five sub-models, namely a fluid transport model, a solute transport model, a biokinetic model, a BF detachment model and a clogging model. The local porosity is estimated based on a BF model considering two mechanisms, namely growth of BF due to organic pollutants and the effect of fluid shear stress on local BF detachment. Darcy’s equation provides a linear relationship between hydraulic gradient and the flow velocity in porous media, ignoring the viscosity as well as inertia effects of the fluid flow. For the coarse media used (pea gravel) (
Table 5), the relationship between velocity and hydraulic gradient can be non-linear [
89], hence the Brinkman model, which extends Darcy’s law, is used (Equations (32) and (33), combining the continuity equation and momentum balance equation,
where
µ is the dynamic viscosity (M L
−1 T
−1),
u is the velocity vector (L T
−1),
is the density of the fluid (M L
−3),
is the pressure (Pa),
is the porosity (-),
is the permeability (L
2) and
is defined a mass source/sink (M L
−3 T
−1). The influence of volume forces such as gravity is respected by the force term
(M L
−2 T
−2). As the column experiment was carried out in saturated conditions, a single phase flow model was used. The solute transport is described by a simple advection-diffusion Equation (34), incorporating the biokinetic model within the source/sink term
,
where
c is the solute concentration (M L
−3), D is the molecular diffusivity (L
2 T
−1) and R is the reaction rate for the solute (M L
−3 T
−1) derived from a biokinetic model. The biokinetic model used in cooperates the processes of mineralization, hydrolysis, growth and lysis of heterotrophic bacteria (XH), respectively and is based on the work of Langergraber and Simunek [
90]. For OM, three fractions are respected, namely, readily, slowly and inter OM. Hydrolysis of slowly to readily available OM is described in Equation (35), while the growth and decay of XH on readily OM is described by Equation (18),
where
and
are rate constants for hydrolysis (T
−1) and saturation/inhibition of hydrolysis (M M
−1),
is the readily available OM concentration (M L
−3) and
is slowly available OM (M L
−3).
where
ist the maximum aerobic growth rate (T
−1),
is the lysis rate (T
−1) and
is the half saturation coefficient (M L
−3). The removal of
is further described by Equation (37),
where
is the yield coefficient representing the stoichiometric link between BF growth and OM consumption and is defined as BF production by OM consumption (M M
−1). The next sub-model describes the BF detachment rate [
85] implement in this model (Equation (38)). BF detachment is caused by fluid shear stress and is based on the flow rate, and therefore increases the local porosity.
where
(T
−1) is the BF detachment rate,
is the average spherical gravel diameter (L) and
is the specific surface area of the filter media (L
−1). The parameter M is determined by using a uniform gravel size with a spherical shape.
The fifth model, namely the clogging model, describes the hydrodynamic change caused by BF development within the pore space. Therefore, the local porosity at each time step is calculated based on the estimated BF concentration (Equation (39)),
where
is the calculated local porosity (-),
is the initial porosity (-) and
is the BF density (M L
−3). With this information, the relative change in local porosity and its effect on the permeability is calculated using the Kozeney–Carman Equation (40) [
91] and is used to update the velocity and pressure profile (Equations (32) and (33),
A parameter efficient bioclogging model is presented Hua et al. [
92]. Water flow is described by using the Darcy Equation (42) and the Kozeny–Carman Equation (49) [
93] for the relationship between hydraulic conductivity and porosity. The change of BF accumulated within the pore space is described by an advection-reaction (41). Only BOD as substrate for BF growth is respected.
where
C is the substrate concentration (M L
−3) and u is the pore-water velocity (L T
−1) described as
where
is the hydraulic gradient (-),
is the hydraulic conductivity (L T
−1) and
is the porosity (-). The subscripts
i and
j represent the time index and the space grid index, respectively. The reaction term
r is represented by the following equation,
where
is the degradation rate constant (T
−1). The BF growth is described by
where
is the lysis rate of BF (T
−1). Here the authors claim using the Monod equation, but BF growth is only related to consumption of substrate as well as lysis. The substrate concentration within the micro region for the time step
is described as
where
represents the deposition coefficient (T
−1) of BF and is determined empirically by Kretzschmar et al. [
94] as,
where
v is the flow velocity (L.T
−1), L is the column length (L) and
and
represent the influent and effluent BOD concentration (M.L
−3), respectively. The total amount of BF deposition
(M L
−3) is calculated as
The change in porosity based on deposited BF and follows
where
is the BF density (M L
−3) and
is the initial porosity. The update of the hydraulic conductivity
is finally carried out using the Kozeny–Carman equation
6.3. Bioclogging and SS Clogging
With FITOVERT [
95], a model is presented to model unsaturated water flow, transport of dissolved as well as particulate components and a biodegradation model. To describe clogging, a model is formulated for the reduction of the porosity due to BM growth and accumulation of particulate matter. The one dimensional model formulation was developed using the Matlab® (Natick, MA, US) environment. Within the model domain, different layers can be implemented which are described by van Genuchten–Mualem SHP [
76,
78]. The variable saturated water flow is described by the Richards Equation (50) [
96],
where
is the volumetric water content (L
3 L
−3),
is the time (T),
is the spatial coordinate (L),
is the unsaturated hydraulic conductivity (L T
−1) and
is the matrix potential (L). The relationship between the pressure head, hydraulic conductivity and water content are described by the van Genuchten–Mualem model (Equations (51)),
where
is the residual and
the saturated water content (L
3 L
−3) as well as
are the saturated hydraulic conductivity (L T
−1). The empirical parameters
(L
−1)
and n influence the shape of the functions
(
h) and
K(
h), and
l is defined as the pore-connectivity parameter. Se equals the effective water content as shown in Equation (51a). Transport of dissolved components is described using Bresler’s equation (Equations (54)) [
97],
where
C is the concentration of a single soluble component in the liquid phase (M L
−3), d is the dispersion coefficient (L
2 T
−1), q is the specific flow rate (L T
−1) and
R is the reaction term. The dispersion coefficient accounts for diffusion and mechanical dispersion, but the authors assume that in the liquid phase the effect of diffusion compared to dispersion can be neglected. Under saturated conditions and constant flow, the mechanical dispersion is considered to be proportional to the average flow velocity and dependent on the dispersivity
(L),
The authors assume further that the same relationship is true for unsaturated conditions. The reaction term R is determined by the biokinetic model implement based on the Activated Sludge Model 1 (ASM1) [
98] describing the degradation of 13 components, seven of which are dissolved and six are particulate. Detailed information is missing within the original publication. The transport and filtration of particulate components is described using the sand filtration process [
99],
where
is the concentration of each single particulate component in water (M L
−3) and
is the filter coefficient (L
−1). The reduction of the porosity is related to the total volumetric specific deposit
(L
3 L
−3), which is continuously updated. How this parameter is determined is not further described. The effect of the change in porosity on the hydraulic conductivity is described using the Kozeny–Carman Equation (57) [
100],
where
K0 is the hydraulic conductivity (L T
−1),
is the porosity (-) of the clean filter respectively and
p,
x and
y describe empirical parameters (-).
Hua et al. [
101] developed a clogging model describing the pore volume reduction based on BF growth, SS retention and plant detritus. The model calculates the mass of each substance contributing to clogging and converts it to the volume reduction within the pore space. The overall application is the calculation of the operational time until the porosity is near zero, hence full clogging is reached. Influent parameters are defined as inert SS and BOD, as well as plant roots. SS and BOD are considered within one sub-model and plant root detritus in another sub-model. The model is based on the mass balance of the named contributors,
where
M is the total solid mass (M),
represent the influent and effluent mass (M T
−1) and S the source/sink term (M T
−1) representing reaction and conversation rates. This is used as analogues for the influent parameters SS (
) and BF solids (
), contributing to SS clogging and bioclogging, respectively. The accumulation of total solid mass is represented by Equation (59). Two source terms represent the contributing loads from either BF development based on BOD (
, (Equations (60)) and from inert matter production (
, (Equations (61)),
where
is the influent flow rate (L
3 T
−1), t is the time (T),
the BOD influent concentration (M L
−3),
is the observed yield for heterotrophic BF (-),
is the heterotrophic microbial endogenous decay coefficient (T
−1),
is the mean residence time of biosolids within the system (T) and
is the fraction of microbial BM converted to inert matter (-).
While
is represented by the BOD influent concentration,
is calculated using Equation (62). The effluent mass of each parameter, represented by
is assumed to be proportional to their respective influent mass (Equations (63)),
where
is the SS influent concentration (M L
−3),
is the proportion of organic matter in SS (-),
is the proportion of the inert matter in the organic SS (-) and
is a proportional factor with a value between 0 and 1. The authors are aware of the simplification representing BF detachment and SS retention. In addition, Hua et al. [
101] introduce a model predicting the effect of plant roots on clogging depending on two seasons, namely the growing season (Equations (64)) and the non-growing season (Equations (65)). During the growing season plant BM is increasing while during the non-growing season plant decay is prevailing,
where
is the living plant BM (M),
(T
−1) is the plant decay coefficient for living plant material,
is the plant growth rate depending on ammonia and
is the plant growth rate depending on nitrate (T
−1). Those growth rates are calculated as follows,
where
is the relative plant growth rate (T
−1),
and
(M L
−3) are the half saturation coefficients for ammonia and nitrogen respectively and
and
are the influent concentrations (g m
−3) for ammonia and nitrogen respectively. Due to plant decay, dead plant BM is produced. The change of this mass over time is calculated using Equation (68),
where
represents the dead plant BM (M) and
is the first order decay rate (T
−1) representing the loss of BM due to physical degradation processes such as physical degradation and invertebrate consumption. The total plant BM for the growth season (Equations (69)) and non-growth season (Equations (70)) is calculated by combining Equations (64) and (65) with Equation (68).
The underground portion of the plant mass is then computed as follows,
where
is the root shoot ratio (-). In a final step, the models are coupled to predict the total volume occupied by the total solids
(Equations (59)) and the root mass
(Equations (71)),
where
and
are the density (M L
−3) and the moisture content (-) of the total solids and
is the density of the plant roots (M L
−3). The time after full clogging is reached is determined over the operational time of the model run and the following criteria,
where
is the porosity (-),
(m) is the depth of the filtration layer and
A is the surface area (L
2).