ENVE 404 ENVIRONMENTAL MODELING

2024-2025 FALL SEMESTER

HOMEWORK 4
Due Date: 17/12/2024 23:59 pm

You are supposed to upload two files: i) MATLAB File (.m file) ii) Report for this question including your
screenshots and results from your MATLAB file and including your discussions (word file). Also, for
Question 2, the handwritten part should be included in this word file after scanning. Your MATLAB File
should contain all the calculations that can be easily tracked. Hence, please use comments and explanations
in your MATLAB File.

Question 1:

Biofilms operate as complex systems with defined boundaries and processes that interact to
support microbial activities and biodegradation. A biofilm is a mixed population of
microorganisms that form a more or less stable thin film. Within this biofilm, organic substrates
are decomposed. The boundaries in a biofilm typically include the interfaces between gas, liquid,
and solid phases. Processes involve the transport of contaminants from the bulk gas phase to the
biofilm, where they are biodegraded.

This transport involves several mechanisms: i) gas phase advection, ii) gas film diffusion, iii)
liquid film diffusion, and iv) biofilm diffusion and biodegredation. Inside the biofilm, the substrate
must diffuse from the exterior solution into the biofilm. When the substrate concentration is very
high, consumption within the biofilm can be assumed to be zero-order.
Various factors, such as the concentrations of contaminants and nutrients, diffusion coefficients,
and reaction rates, play crucial roles in the biofilm's function. To simplify the modeling of biofilms,
assumptions like steady-state conditions and specific reaction kinetics (zero-order or first-order)
are made. Initial conditions and boundaries are determined based on equilibrium states at phase
interfaces and the given contaminant concentrations. The model is formulated mathematically by

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solving one-dimensional mass balance equations, often using Monod kinetics to describe reaction
rates. These equations can be solved analytically or numerically to predict the biofilm's
performance in removing contaminants..

Figure 1. Biofilm concept

The differential equation governing the concentration of substrate within the biofilm, in zero-order
reaction kinetics is;

𝑑 2 𝐶𝑙
𝐷 − 𝜇0 = 0
𝑑𝑥 2
where,

𝐷 is the diffusion coefficient (cm2/s)

𝐶𝑙 is the liquid phase contaminant concentration in the biofilm (mol/m3)

𝑥 is the thickness where 𝐶𝑙 is observed (mm)

Figure 2. Schematic Diagram of Fully Penetrated and Partially Penetrated Biofilms

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Figure 2 describes two examples of zero-order kinetics. The contaminant fully penetrates a biofilm
with a thickness of L in the first case, called as a reaction-limiting case. on the other hand, in
partially penetrated scenario a lower concentration of gas-phase contaminants that permeate the
biofilm to a distance less than L, after which the remaining portion of the biolayer is inactive,
therefore it is diffusion-limiting.
Biofilms may be so thin that the substrate never reaches a concentration of zero before x=L. In
𝑑𝐶𝑙
that case, for the boundary conditions at x = L, and 𝐶𝑙 = 𝐶𝑙,0 at z = 0, the solution to the
𝑑𝑥
differential equation above for the fully penetrated biofilm is,

𝐶𝑔 𝑥 1 𝑥 2
𝐶𝑙 = (1 − 𝐷𝑎 ( − ( ) ))
𝐾𝐻 𝐿 2 𝐿

where,
𝜇 𝐿2
Da: Damköher number, that is function of 𝜇0 and 𝐷, and defined as 𝐷𝑎 = 𝐷0𝐶 .
𝑙,0

KH : Dimensionless Henry’s constant.

Cg: Bulk gas phaseconcentration

An experiment was performed on the system described earlier to test the efficiency of the treatment
of a conaminated gas stream on biofilm. Contaminated air was introduced into the system, and the
objective of the experiment was to calibrate the parameters in the equation mentioned earlier.
According to preliminary calibration, KH and Da values were found to be 0.7 and 0.82,
respectively.
𝐶𝑙
In Table 1, Observed Concentrations for Different Thicknesses can be seen.
𝐶𝑔

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 𝐶 𝑥
Table 1. Observed 𝐶 𝑙 Concentrations for Different Thicknesses (𝐿 )
𝑔

𝑥/𝐿 0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5
𝐶𝑙 /𝐶𝑔 1.923 1.963 1.860 1.670 1.730 1.690 1.530 1.470 1.457 1.450 1.396
𝑥/𝐿 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1
𝐶𝑙 /𝐶𝑔 1.370 1.350 1.276 1.255 1.265 1.215 1.213 1.192 1.189 1.194

Calibrate the model solution for the KH with a range of [0.3, 0.7] by using MATLAB. In your
calibration, use the following model performance criteria:
i) calibration error (CE),
ii) percent bias/deviation (PBIAS)
to evaluate the model performance. Please use ‘very good’ evaluation criteria for PBIAS and
appropriate performance criteria for CE.
a) Find the calibrated KH value according to the algorithm.
b) Plot calibrated and measured DO concentrations vs distance in the same graph
c) Plot CE & PBIAS vs KH graph (i.e. CE and PBIAS should be on different y-axes and
KH on the x-axis in the same graph)
d) Please comment on the graph you obtained in part c. If you were asked to calibrate your
model just by examining the graph (part c), would your answer be different than
MATLAB algorithm output (part a).
e) Compare and discuss your results with your findings in the Homework 2 - Question 1.

Please use ‘Moriasi, D. N., Gitau, M. W., &; Daggupati, P. (2015). Hydrologic and Water Quality
Models: Performance Measures and Evaluation Criteria. Transactions of the ASABE, 58(6), 1763–
1785. https://doi.org/10.13031/trans.58.10715’ article. In your discussion, please use the following
Tables from this article:
- Table 5 (equations corresponding to these evaluation criteria);
- Table 8 (upper and lower boundaries of the criteria and classes of the criteria)

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Question 2:

A freshwater scientist has designed and implemented a combined complete-mix flow system to
investigate the behavior of Envesorb as it interacts between air and water phases. In the
experimental setup, as illustrated in Figure 1, it is assumed that neither the air nor the water phase
contains any Envesorb at the beginning. In this system, the incoming air stream carries Envesorb
at an initial concentration of 50 mg/L. The air flows into the system at a rate of 2 m3/h, while the
water flows in at a slower rate of 8*10-3 m3/h. The behavior of Envesorb within the system is
dependent on several factors. Its solubility equilibrium between air and water is governed by
dimensionless Henry's constant of 0.4. The rate at which Envesorb moves across the interface is
determined by the mass transfer coefficient, defined as 6*10-2 m/h. The water phase in the
experimental setup occupies a volume of 50 L, while the system, including both phases, has a total
volume of 150 L and a cross-sectional area of 2 m2, where the absorption process takes place.
Assume that Envesorb is naturally abundant in the atmosphere and is not anthropogenic.

Use MATLAB to address the following tasks:

a. Create a plot showing the concentration of Envesorb over time for both the air and water
phases on a single graph.
b. Calculate the concentration of Envesorb in the water phase after 15-min.
Note: Write the mass transfer terms for both phases as a function of Cw not Ca.

Figure 3. Complete-mix Flow Combined System