Water Quality Modelling

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12. Water Quality Modelling and Prediction

1. Introduction
377
2. Establishing Ambient Water Quality Standards

2.1. Water-Use Criteria 379
378
3. Water Quality Model Use 379

3.1. Model Selection Criteria 380
3.2. Model Chains 381
3.3. Model Data 382
4. Water Quality Model Processes 383
4.1. Mass-Balance Principles 384
4.1.1. Advective Transport 385
4.1.2. Dispersive Transport 385
4.1.3. Mass Transport by Advection and Dispersion
4.2. Steady-State Models 386
4.3. Design Streamflows for Water Quality 388
4.4. Temperature 389
4.5. Sources and Sinks 390
4.6. First-Order Constituents 390
4.7. Dissolved Oxygen 390
4.8. Nutrients and Eutrophication 393
4.9. Toxic Chemicals 396
4.9.1. Adsorbed and Dissolved Pollutants 396
4.9.2. Heavy Metals 398
4.9.3. Organic Micro-pollutants 399
4.9.4. Radioactive Substances 400
4.10. Sediments 400
4.10.1. Processes and Modelling Assumptions 401
4.10.2. Sedimentation 401
4.10.3. Resuspension 401
4.10.4. Burial 402
4.10.5. Bed Shear Stress 402
4.11. Lakes and Reservoirs 403
4.11.1. Downstream Characteristics 405
4.11.2. Lake Quality Models 406
4.11.3. Stratified Impoundments 407
385
5. An Algal Biomass Prediction Model 408

5.1. Nutrient Cycling 408
5.2. Mineralization of Detritus 408
5.3. Settling of Detritus and Inorganic Particulate Phosphorus 409
5.4. Resuspension of Detritus and Inorganic Particulate Phosphorus 409
5.5. The Nitrogen Cycle 409
5.5.1. Nitrification and Denitrification 409
5.5.2. Inorganic Nitrogen 410
WATER RESOURCES SYSTEMS PLANNING AND MANAGEMENT ISBN 92-3-103998-9 UNESCO 2005
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5.6.
5.7.
5.8.
5.9.
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Phosphorus Cycle 410

Silica Cycle 411
Summary of Nutrient Cycles 411
Algae Modelling 412
5.9.1. Algae Species Concentrations 412
5.9.2. Nutrient Recycling 413
5.9.3. Energy Limitation 413
5.9.4. Growth Limits 414
5.9.5. Mortality Limits 414
5.9.6. Oxygen-Related Processes 415
6. Simulation Methods 416

6.1. Numerical Accuracy 416
6.2. Traditional Approach 417
6.3. Backtracking Approach 418
6.4. Model Uncertainty 420
7. Conclusions: Implementing a Water Quality Management Policy
8. References
421
422
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12 Water Quality Modelling and Prediction
The most fundamental human needs for water are for drinking, cooking and
personal hygiene. To meet these needs, the quality of the water used must pose no
risk to human health. The quality of the water in nature also affects the condition
of ecosystems that all living organisms depend on. At the same time, humans use
water bodies as convenient sinks for the disposal of domestic, industrial and
agricultural wastewaters. This of course degrades the quality of those water
bodies. Water resources management involves the monitoring and management of
water quality as much as the monitoring and management of water quantity.
Various models have been developed to assist in predicting the water quality
impacts of alternative land and water management policies and practices. This
chapter introduces some of the main principles of water quality modelling.
1. Introduction
Water quality management is a critical component of
overall integrated water resources management. Most
users of water depend on adequate levels of water quality.
When these levels are not met, these water users must
either pay an additional cost for water treatment or incur
at least increased risks of damage or loss. As populations
and economies grow, more pollutants are generated. Many
of these are waterborne, and hence can end up in surface
and groundwater bodies. Increasingly, the major efforts
and costs involved in water management are devoted to
water quality protection and management. Conflicts
among various users of water are increasingly over issues
involving water quality as well as water quantity.
Natural water bodies are able to serve many uses,
including the transport and assimilation of waterborne
wastes. But as natural water bodies assimilate these
wastes, their quality changes. If the quality drops to
the extent that other beneficial uses are adversely affected,
the assimilative capacities of those water bodies have been
exceeded with respect to those affected uses. Water
quality management measures are actions taken to ensure
that the total pollutant loads discharged into receiving

water bodies do not exceed the ability of those water
bodies to assimilate those loads while maintaining the
levels of quality specified by quality standards set for
those waters.
What uses depend on water quality? One can identify
almost any use. All living organisms require water of
sufficient quantity and quality to survive, although different aquatic species can tolerate different levels of water
quality. Regrettably, in most parts of the developed world
it is no longer safe to drink natural surface or ground
waters; they usually need to be treated before they become
fit for human consumption. Treatment is not a practical
option for recreational bathing, or for maintaining the
health of fish, shellfish and other organisms found in
natural aquatic ecosystems. Thus, standards specifying
minimum acceptable levels of quality are set for most
ambient waters. Various other uses have their own standards as well. Irrigation water must not be too saline or
contain toxic substances that can be absorbed by the
plants or destroy microorganisms in the soil. Water quality standards for industry can be very demanding, depending of course on the particular industrial processes.
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Water Resources Systems Planning and Management
Pollutant loadings degrade water quality. High

domestic wasteloads can result in high concentrations of
bacteria, viruses and other organisms that affect human
health. High organic loadings can reduce dissolved
oxygen to levels that are fatal to parts of the aquatic
ecosystem and cause obnoxious odours. Nutrient
loadings from both urban and agricultural land runoff can
cause excessive algae growth, which in turn may degrade
the water aesthetically and recreationally, and upon
death result in low dissolved oxygen levels. Toxic heavy
metals and other micro-pollutants can accumulate in
the bodies of aquatic organisms, including fish, making
them unfit for human consumption even if they themselves survive.
Pollutant discharges originate from point and nonpoint sources. A common approach to controlling point
source discharges, such as those from stormwater outfalls,
municipal wastewater treatment plants or industries, is to
impose standards specifying maximum allowable pollutant loads or concentrations in their effluents. This is
often done in ways that are not economically efficient
or even environmentally effective. Effluent standards
typically do not take into account the particular assimilative capacities of the receiving water body.
Non-point sources such as agricultural runoff or atmospheric deposition are less easily controlled, and hence it is
difficult to apply effluent standards to non-point source
pollutants, and their loadings can be much more significant than point source loadings. Management of non-point
water quality impacts requires a more ambient-focused
water quality management programme.
The goal of an ambient water quality management
programme is to establish appropriate standards for
water quality in water bodies receiving pollutant loads,
and then to ensure that these standards are met. Realistic
standard-setting takes into account the basins hydrological, ecological and land use conditions, the potential
uses of the receiving water body, and the institutional
capacity to set and enforce water quality standards.
Ambient-based water quality prediction and management involves considerable uncertainty. No one can
predict what pollutant loadings will occur in the future,
especially from area-wide non-point sources. In addition
to uncertainties inherent in measuring the attainment
of water quality standards, there are uncertainties in
models used to determine sources of pollution, to allocate
pollutant loads, and to predict the effectiveness of actions

taken to meet water quality standards. The models
available to help managers predict water quality impacts
are relatively simple compared with the complexities of
actual water systems. These limitations and uncertainties
should be understood and addressed as water quality
management decisions are based on their outputs.
2. Establishing Ambient Water

Quality Standards
Identifying the intended uses of a water body whether
a lake, a section of a stream or an estuary is a first step
in setting water quality standards for that body. The most
restrictive of the specific desired uses of a water body is
termed a designated use. Barriers to achieving the designated use are the presence of pollutants, or hydrological
and geomorphic changes that affect the water quality.
The designated use dictates the appropriate type
of water quality standard. For example, a designated use
of human recreation should protect humans from
exposure to microbial pathogens while swimming,
wading or boating. Other uses include those designed to
protect humans and wildlife from consuming harmful
substances in water, in fish and in shellfish. Aquatic-life
uses include the protection and propagation of fish,
shellfish and wildlife resources.
Standards set upstream may affect the uses of water
downstream. For example, small headwater streams
may have aesthetic value but may not be able to support
extensive recreational uses. However, their condition
may affect the ability of a downstream area to achieve a
particular designated use such as fishable or swimmable. In this case, the designated use for the smaller
upstream water body may be defined in terms of
achieving the designated use of the larger downstream
water body.
In many areas, human activities have altered the landscape and aquatic ecosystems to the point where they
cannot be restored to their pre-disturbance condition. For
example, someones desire to establish a trout fish-farm in
downtown Paris, Phnom Penh, Prague or Pretoria may
not be attainable because of the development history of
these areas or the altered hydrological regimes of the rivers
flowing through them. Similarly, someone might wish to
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Water Quality Modelling and Prediction
designate an area near the outfall of a sewage treatment

plant for shellfish harvesting, but health considerations
would preclude any such use. Ambient water quality
standards must be realistic.
Designating the appropriate use for a water body is a
policy decision that can be informed by the use of water
quality prediction models of the type discussed in this
chapter. However, the final standard selection should
reflect a social consensus made while bearing in mind the
current condition of the watershed, its pre-disturbance
condition, the advantages derived from a certain designated use, and the costs of achieving that use.
2.1. Water-Use Criteria

The designated use is a qualitative description of
the desired condition of a water body. A criterion is a
measurable indicator surrogate for use attainment. The
criterion may be positioned at any point in the causal
chain of boxes shown in Figure 12.1.
In Box 1 of Figure 12.1 are measures of the pollutant
discharge from a treatment plant (such as biological
oxygen demand, ammonia (NH3), pathogens and suspended sediments) or the amount of a pollutant entering
the edge of a stream from runoff. A criterion at this position is referred to as an effluent standard. Criteria in Boxes
2 and 3 are possible measures of ambient water quality
conditions. Box 2 includes measures of a water quality
parameter such as dissolved oxygen (DO), pH, total phosphorus concentration, suspended sediment or temperature. Criteria closer to the designated use (e.g. Box 3)
4
pollutant load from each source
2
ambient pollutant concentration in waterbody
3
human health and biological condition
land use,
hydrological,
and
ecological
characteristics
of waterbody
E020730a
appropriate designated use for the waterbody
Figure 12.1. Factors considered when determining designated

use and associated water quality standards.
379
include more combined or comprehensive measures

of the biological community as a whole, such as the
condition of the algal community (chlorophyll a) or
a measure of contaminant concentration in fish tissue.
Box 4 represents criteria that are associated with sources
of pollution other than pollutants. These criteria might
include measures such as flow timing and pattern
(a hydrological criterion), abundance of non-indigenous
taxa, or some quantification of channel modification
(e.g. a decrease in sinuosity) (NRC, 2001).
The more precise the statement of the designated use,
the more accurate the criterion will be as an indicator of
that use. For example, the criterion of fecal coliform count
may be a suitable criterion for water contact recreation.
The maximum allowable count itself may differ among
water bodies that have water contact as their designated
use, however.
Surrogate indicators are often selected for use as
criteria because they are easy to measure and in some
cases are politically appealing. Although a surrogate
indicator may have these appealing attributes, its usefulness can be limited unless it can be logically related to
a designated use.
As with setting designated uses, the connections among
water bodies and segments must be considered when
determining criteria. For example, where a segment of a
water body is designated as a mixing zone for a pollutant
discharge, the criterion adopted should assure that the
mixing zone use will not adversely affect the surrounding
water body uses. Similarly, the desired condition of a small
headwater stream may need to be specified in relation to
other water bodies downstream; thus, an ambient nutrient
criterion may be set in a small headwater stream to
ensure a designated use in a downstream estuary, even if
there are no local adverse impacts resulting from the nutrients in the small headwater stream, as previously
discussed. Conversely, a high fecal coliform criterion
may be permitted upstream of a recreational area if the
fecal load dissipates before the flow reaches that area.
3. Water Quality Model Use

Monitoring data are the preferred form of information
for identifying impaired waters (Appendix B). Model
predictions might be used in addition to or instead of
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monitoring data for several reasons:

Modelling might be feasible in some situations where
monitoring is not.
Integrated monitoring and modelling systems could
provide better information than one or the other
alone for the same total cost. For example, regression
analyses that correlate pollutant concentration with
some more easily measurable factor (such as streamflow) could be used to extend monitoring data for
preliminary listing (of impared status) purposes.
Models can also be used in a Bayesian framework
to determine preliminary probability distributions of
impairment that can help direct monitoring efforts and
reduce the quantity of monitoring data needed for
making listing decisions at a given level of reliability
(see Chapter 7).
Modelling can be used to assess (predict) future water
quality situations resulting from different management
strategies. For example, assessing the improvement in
water quality after a new wastewater treatment plant is
built, or the effect of increased industrial growth and
effluent discharges.
A simple but useful modelling approach that may be
used in the absence of monitoring data is dilution calculations. In this approach the rate of pollutant loading from
point sources in a water body is divided by the streamflow
to give a set of estimated pollutant concentrations that may
be compared to the standard. Simple dilution calculations
assume conservative movement of pollutants. Thus, the
use of dilution calculations will tend to be conservative
and predict higher than actual concentrations for decaying
pollutants. Of course, one could include a best estimate of
the effects of decay processes in the dilution model.
Combined runoff and water quality prediction models
link stressors (sources of pollutants and pollution) to
responses. Stressors include human activities likely to
cause impairment, such as the presence of impervious
surfaces in a watershed, cultivation of fields close to the
stream, over-irrigation of crops with resulting polluted
return flows, the discharge of domestic and industrial
effluents into water bodies, installing dams and other
channelization works, introduction of non-indigenous
taxa and over-harvesting of fish. Indirect effects of humans
include land cover changes that alter the rates of
delivery of water, pollutants and sediment to water bodies.
A review of direct and indirect effects of human

activities suggests five major types of environmental
stressors:
alterations in physical habitat

modifications in the seasonal flow of water
changes in the food base of the system
changes in interactions within the stream biota
release of contaminants (conventional pollutants)
(Karr, 1990; NRC, 1992, 2001).
Ideally, models designed to manage water quality should

consider all five types of alternative management
measures. A broad-based approach that considers these
five features provides a more integrative approach to
reduce the cause or causes of degradation (NRC, 1992).
Models that relate stressors to responses can be of
varying levels of complexity. Sometimes, they are simple qualitative conceptual representations of the
relationships among important variables and indicators
of those variables, such as the statement human activities in a watershed affect water quality, including the
condition of the river biota. More quantitative models
can be used to make predictions about the assimilative
capacity of a water body, the movement of a pollutant
from various point and non-point sources through a
watershed, or the effectiveness of certain best management practices.
3.1. Model Selection Criteria

Water quality predictive models include both mathematical expressions and expert scientific judgement. They
include process-based (mechanistic) models and
data-based (statistical) models. The models should link
management options to meaningful response variables
(such as pollutant sources and water quality standard
parameters). They should incorporate the entire chain
from stressors to responses. Process-based models should
be consistent with scientific theory. Model prediction
uncertainty should be reported. This provides decisionmakers with estimates of the risks of options. To do this
requires prediction error estimates (Chapter 9).
Water quality management models should be appropriate to the complexity of the situation and to the
available data. Simple water quality problems can be
addressed with simple models, while complex ones may
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or may not require the use of more complex models.

Models requiring large amounts of monitoring data
should not be used in situations where such data are
unavailable. Models should be flexible enough to allow
updates and improvements as appropriate based on new
research and monitoring data.
Stakeholders need to accept the models proposed
for use in any water quality management study. Given
the increasing role of stakeholders in water management
decision processes, they need to understand and accept
the models being used, at least to the extent they wish to
do so. Finally, the cost of maintaining and updating the
model over time must be acceptable.
Although predictions are typically made with the aid
of mathematical models, there are certainly situations
where expert judgement can be just as good. Reliance
on professional judgement and simpler models is often
acceptable, especially when data are limited.
Highly detailed models require more time and
are more expensive to develop and apply. Effective and
efficient modelling for water quality management may
dictate the use of simpler models. Complex modelling
studies should be undertaken only if warranted by the
complexity of the management problem. More complex
modelling will not necessarily ensure that uncertainty is
reduced, and in fact added complexity can compound
problems of uncertainty analyses (Chapter 9).
Placing a priority on process description usually leads
to the development and use of complex mechanistic
models rather than simpler mechanistic or empirical
models. In some cases this may result in unnecessarily
costly analyses. In addition, physical, chemical and biological processes in terrestrial and aquatic environments
are far too complex to be fully represented in even
the most complicated models. For water quality management, the primary purpose of modelling should be to
support decision-making. The inability to describe all
relevant processes completely contributes to the uncertainty in the model predictions.
3.2. Model Chains

Many water quality management analyses require the use
of a sequence of models, one feeding data into another.
For example, consider the sequence or chain of models
required for the prediction of fish and shellfish survival as
381
a function of nutrient loadings into an estuary. Of interest

to the stakeholders are the conditions of the fish and
shellfish. One way to maintain healthy fish and shellfish
stocks is to maintain sufficient levels of oxygen in the
estuary. The way to do this is to control algae blooms.
This in turn requires limits on the nutrient loadings to the
estuary that can cause algae blooms, and subsequent
dissolved oxygen deficits. The modelling challenge is to
link nutrient loading to fish and shellfish survival.
The negative effects of excessive nutrients (e.g. nitrogen) in an estuary are shown in Figure 12.2. Nutrients
stimulate the growth of algae. Algae die and accumulate
on the bottom, where bacteria consume them. Under
calm wind conditions density stratification occurs.
Oxygen is depleted in the lower levels of water. Fish
and shellfish may die or become weakened and more
vulnerable to disease.
A model consisting of a sequence of conditional
probabilities can be defined to predict the probability of
shellfish and fish abundance based on upstream nutrient
loadings into the estuary that might cause problems
for fish and shellfish populations. These conditional
probabilities can be judgemental, mechanistic and/or statistical. Each conditional probability can be a separate
sub-model. Assuming each sub-model can identify a
conditional probability distribution, the probability Pr{C
| N} of a specified amount of carbon, C, given some specified loading of a nutrient, say nitrogen, N, equals the
probability Pr{C | A} of that given amount of carbon,
given a concentration of algae biomass, A, times the probability Pr{A | N, R} of that concentration of algae biomass
given the nitrogen loading, N, and the river flow, R,
times the probability Pr{R} of the river flow, R. In other
words:
Pr{C | N} Pr{C | A}Pr{A | N, R}Pr{R}
(12.1)
An empirical process-based model of the type to be

presented later in this chapter could be used to predict
the concentration of algae and the chlorophyll violations
on the basis of the river flow and nitrogen loadings. It
could similarly predict the production of carbon, on the
basis of algae biomass. A seasonal statistical regression
model might be used to predict the likelihood of algae
blooms based on algal biomass. A cross-system comparison may be made to predict sediment oxygen demand.
A relatively simple hydraulic model could be used to
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E020730b
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Figure 12.2. The negative

impacts of excessive nutrients
in an estuary (NRC, 2001).
nutrients
stimulate
the growth
of algae
b
algae die
and accumulate
on the bottom and
are consumed by bacteria
c
e
under calm wind conditions,

density stratification
d
d
oxygen is depleted in the bottom water
e
fish and shellfish may die or become weakened and
vulnerable to disease
predict the duration of stratification and the frequency

of hypoxia, given both the stratification duration and
sediment oxygen demand. Expert judgement and fish
survival models could be used to predict the shellfish
abundance and fishkill and fish health probabilities.
The biological endpoints shell-fish survival and
number of fishkills, are meaningful indicators to stakeholders and can easily be related to designated water body
use. Models and even conditional probabilities assigned
to each link of the network in Figure 12.3 can reflect
a combination of simple mechanisms, statistical (regression) fitting and expert judgement.
Advances in the mechanistic modelling of aquatic
ecosystems have enabled us to include greater process
(especially trophic) detail and complexity, as well as to
perform dynamic simulations, although mechanistic
ecosystem models have not advanced to the point of
being able to predict community structure or biotic
integrity. In this chapter, only some of the simpler
mechanistic models will be introduced. More detail can
be found in books solely devoted to water quality
modelling (Chapra, 1997; McCutcheon, 1989; Orlob,

1983; Schnoor, 1996; Thomann and Mueller, 1987) as
well as the current professional journal literature.
3.3. Model Data

Data availability and accuracy are sources of concern
in the development and use of models for water quality
management. The complexity of models used for water
quality management should be compatible with the
quantity and quality of available data. The use of complex
mechanistic models for water quality prediction in
situations with little useful water quality data does not
compensate for that lack of data. Model complexity
can give the impression of credibility, but this is usually
misleading.
It is often preferable to begin with simple models and
then, over time, add additional complexity as justified
by the collection and analysis of additional data. This
strategy makes efficient use of resources. It targets the
effort toward information and models that will reduce
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383
chlorophyll
violations
nutrient
inputs
river
flow
algal
density
Figure 12.3. Cause and effect diagram for

estuary eutrophication due to excessive
nutrient loadings (Borsuk et al., 2004).
harmfull
algal
blooms
carbon
production
sediment
oxygen
demand
duration
of
stratification
frequency
of
hupoxia
shellfish
abundance
fish
health
E020730c
number
of
fishkills
the uncertainty as the analysis proceeds. Models should

be selected (simple versus complex) in part on the basis
of the data available to support their use.
Water quality models of water bodies receiving
pollutant discharges require those pollutant loadings as
input data. These pollutant discharges can be from point
and non-point sources. Point source discharges are much
easier to measure, monitor and estimate than non-point
source inputs. Non-point discharge data often come
from rainfallrunoff models that attempt to predict the
quantity of runoff and its constituent concentrations. The
reliability of the predictions from these models is not very
good, especially if short time periods (e.g. each day or
week) are being simulated. Their average values over
longer time periods (e.g. a month or year) tend to be
more reliable. This is mainly because the short-term
inputs to those models, such as constituent loadings on

the land and the rainfall within an area, can vary over
space and time within the area and time period being
simulated, and are typically not known with any precision. Chapter 13 reviews some of these loading models
and their limitations.
4. Water Quality Model Processes

Water quality models can be applied to many different
types of water system, including streams, rivers, lakes,
reservoirs, estuaries, coastal waters and oceans. The models
describe the main water quality processes, and typically
require the hydrological and constituent inputs (the water
flows or volumes and the pollutant loadings). These
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models include terms for dispersive and/or advective transport depending on the hydrological and hydrodynamic
characteristics of the water body, and terms for the biological, chemical and physical reactions among constituents.
Advective transport dominates in flowing rivers. Dispersion
is the predominant transport phenomenon in estuaries
subject to tidal action. Lake-water quality prediction is
complicated by the influence of random wind directions
and velocities that often affect surface mixing, currents and
stratification. For this and other reasons, obtaining reliable
quality predictions for lakes is often more difficult than for
streams, rivers and estuaries. In coastal waters and oceans,
large-scale flow patterns and tide are the most important
transport mechanisms.
The development and application of water quality
models is both a science and an art. Each model reflects
the creativity of its developer, the particular water quality
management problems and issues being addressed, the
available data for model parameter calibration and
verification, the time available for modelling and associated uncertainty, and other considerations. The fact that
most, if not all, water quality models cannot accurately
predict what actually happens does not detract from their
value. Even relatively simple models can help managers
understand the real world prototype and estimate at least
the relative, if not actual, change in water quality associated with given changes in the inputs resulting from
management policies or practices.
4.1. Mass-Balance Principles

The basic principle of water quality models is that of mass
balance. A water system can be divided into different
segments or volume elements, also called computational
cells. For each segment or cell, there must be a mass
balance for each water quality constituent over time. Most
water quality simulation models simulate quality over a
consecutive series of discrete time periods, t. Time is
divided into discrete intervals t and the flows are assumed
constant within each of those time period intervals. For
each segment and each time period, the mass balance of
a substance in a segment can be defined. Components of
the mass balance for a segment include: first, changes by
transport (Tr) into and out of the segment; second, changes
by physical or chemical processes (P) occurring within the
segment; and third, changes by sources/discharges to or

from the segment (S).
M i
M i
M i
M ti t M ti t
t
t
t Tr
t P
t S
(12.2)
The mass balance has the following components:
the mass in computational cell i at the beginning of a
time step t: M ti
the mass in computational cell i at the end of a time
step t: M ti t
changes in computational cell i
M i
by transport:
t Tr
changes in computational cell i by physical,
M i
(bio)chemical or biological processes:
t P
changes in computational cell i by sources
M i
(e.g. wasteloads, river discharges):
t S
Changes by transport include both advective and dispersive transport. Advective transport is transport by flowing
water. Dispersive transport results from concentration
differences. Dispersion in the vertical direction is important if the water column is stratified, and dispersion in the
horizontal direction can be in one or two dimensions.
Dispersion, as defined here, differs from the physical
concept of molecular diffusion as it stands for all
transport that is not advective.
Changes by processes include physical processes such
as re-aeration and settling, (bio)chemical processes
such as adsorption, transformation and denitrification,
and biological processes such as primary production and
predation on phytoplankton. Water quality processes
convert one substance to another.
Changes by sources include the addition of mass by
wasteloads and the extraction of mass by intakes. Mass
entering over the model boundaries can be considered
a source as well. The water flowing into or flowing out
of the modelled segment or volume element (the computational cell) is derived from a water quantity (possibly
hydrodynamic) model.
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To model the transport of substances over space, a

water system is divided in small segments or volume
elements. The complete ensemble of all the segments or
elements is called the grid or schematization. Each computational cell is defined by its volume and its dimensions in
one, two or three directions (x, y, z) depending on
the nature of the schematization (1D, 2D or 3D). Note
that the cell dimensions x, y and z do not have to be
equal. The computational cell can have any rectangular
shape. A computational cell can share surface areas with
other cells, the atmosphere, or the bottom sediment or
coast line.
The following sections will look at the transport
processes in more detail, defining parameters or variables
and their units in terms of mass M, length L and time T.
4.1.1. Advective Transport
The advective transport,
(M/T), of a constituent at a site
x0 is the product of the average water velocity, v x0 (L/T), at
that site, the surface or cross-sectional area, A (L2), through
which advection takes place at that site, and the average
concentration, C x0 (M/L3), of the constituent:
v x0 A C x0
The dispersive transport, TxD0 (M/T), across a surface area

is assumed to be proportional to the concentration
C
gradient
at site x0 times the surface area A.
x xx0
2
Letting D x0 (L /T), be the dispersion or diffusion coefficient at site x0:

C
x
(12.5)
Dispersion coefficients should be calibrated or be

obtained from calculations using turbulence models.
4.1.3. Mass Transport by Advection and Dispersion
If the advective and dispersive terms are added and the
terms at a second surface at site x0 x are included,
a one dimensional equation results:
M ti t M ti t v x0 C x0 v x0 x C x0 x
C
C
D x0 x
D x0
A
x x 0
x x0 x
(12.6)
M tit M ti t
C
Q x0 C x0 Q x0 x C x0 x D x0 A x0
x
D x0 x A x0 x
(12.3)
4.1.2. Dispersive Transport
TxD0 D x0 A
C x0.5x
C
C
lim x0.5x
x x x0
x
or equivalently:
TxA0
TxA0
385
(12.4)
xx0
Dispersion is done according to Ficks diffusion law. The

minus sign originates from the fact that dispersion causes
net transport from higher to lower concentrations, and so
in the opposite direction of the concentration gradient.
The concentration gradient is the difference of concentrations per unit length, over a very small distance across the
cross section:
C
x
x0 x
x0
(12.7)
where Q x0 (L3/T) is the flow at site x0.

If the previous equation is divided by the volume and
the time interval t, then the following equation results in
one dimension:
C tit C ti
t
D x 0 x
C
x
x 0 x
Dx0
C
x
x
v x 0 C x 0 v x 0 xC x 0 x

x
x0
(12.8)
Taking the asymptotic limit t 0 and x 0, the

advectiondiffusion equation for one dimension results:
C
C
D (vC )
t
x x x
(12.9)
The finite volume method for transport is a computational method of solving the advectiondiffusion
equation. The accuracy of the method will be related to
the size of x, A (A yz) and t.
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By adding terms for transport in the y and z-direction,

a three-dimensional model is obtained. Taking the
asymptotic limit again will lead to a three-dimensional
advectiondiffusion equation
C
2C
C
2C
C
Dx 2 v x
Dy 2 v y
t
x
x
y
y
Dz
2C
C
vz
S fR (C
C, t)
2
z
z
(12.10)
with dispersion coefficients Dj defined for each direction.

If source terms S and fR are added as shown in the equation above, the so-called advectiondiffusion reaction
equation emerges. The additional terms represent:
Discharges or wasteloads (S): these source terms are
additional inflows of water or mass. As many source
terms as required may be added to Equation 12.10.
These could include small rivers, discharges of industries, sewage treatment plants, small wasteload outfalls
and so on.
Reaction terms or processes (fR).
Processes can be split into physical and other processes.
Examples of physical processes are:
settling of suspended particulate matter
water movement not affecting substances, like
evaporation
volatilization of the substance itself at the water
surface.
Examples of other processes are:
biochemical conversions like ammonia and oxygen
forming nitrite
growth of algae (primary production)
predation by other animals
chemical reactions.
These processes are described in more detail in the
remaining parts of this section.
The expression D(C/X) vC in Equation 12.9,
multiplied by the area A, is termed the total flux (M/T).
Flux due to dispersion, DA(C/X), is assumed to be
proportional to the concentration gradient over distance.
Constituents are transferred by dispersion from higher
concentration zones to lower ones. The coefficient of
dispersion D (L2/T) depends on the amplitude and
frequency of the tide, if applicable, as well as upon the
turbulence of the water body. It is common practice to

include in this dispersion parameter everything affecting
the distribution of C other than advection. The term vAC
is the advective flux caused by the movement of water
containing the constituent concentration C (M/L3) at a
velocity rate v (L / T) across a cross-sectional area A (L2).
The relative importance of dispersion and advection
depends on the degree of detail with which the velocity
field is defined. A good spatial and temporal description
of the velocity field within which the constituent is being
distributed will reduce the importance of the dispersion
term. Less precise descriptions of the velocity field, such
as averaging across irregular cross sections or approximating transients by steady flows, may lead to a
dominance of the dispersion term.
Many of the reactions affecting the decrease or increase
of constituent concentrations are often represented
by first-order kinetics that assume the reaction rates are
proportional to the constituent concentration. While
higher-order kinetics may be more correct in certain
situations, predictions of constituent concentrations
based on first-order kinetics have often been found to be
acceptable for natural aquatic systems.
4.2. Steady-State Models

A steady state means no change over time. If we consider
a water body, for example a river, this means there are no
changes in the concentrations with time. In this case the
left hand side of Equation 12.9, C/t, equals 0. Assume
the only sink is the natural decay of the constituent
defined as kC where k, (T1), is the decay rate coefficient
or constant. Now Equation 12.9 becomes
0 D 2C/X2 vC/X kC
(12.11)
Equation 12.11 can be integrated, since river reach

parameters A, D, k, v, and Q are assumed constant. For a
constant loading, WC (M/T) at site X 0, the concentration C at any distance X will equal
C(X) (WC/Qm) exp[(v/2D)(1 m)X] X 0
(WC/Qm) exp[(v/2D)(1 m)X] X 0 (12.12)
where
m (1 (4kD/v2))1/2
(12.13)
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Note from Equation 12.12 that the parameter m is always

equal to or greater than 1 and that the exponent of e is
always negative. Hence, as the distance X increases in
magnitude, either in the positive or negative direction, the
concentration C(X) will decrease if k 0. The maximum
concentration C occurs at X 0 and is WC /Qm.
waste load Wc
X<0
(12.14)
These equations are plotted in Figure 12.4.

In flowing rivers not under the influence of tidal
actions the dispersion is usually small. Assuming the
dispersion coefficient D is 0, the parameter m defined by
Equation 12.13 is 1. Hence, when D 0, the maximum
concentration at X 0 is WC /Q.
C(0) WC /Q if D 0.
C( X )
(W /Q ) exp[ kX/v]
C
X 0
X 0
(12.16)
The above equation for X 0 can be derived from

Equations 12.12 and 12.13 by noting that the term (1 m)
equals (1 m)(1 m)/(1 m) (1 m2)/2 when D is 0.
Thus when D is 0 the expression v/2D)(1 m)X in Equation
12.12 becomes kX/v. The term X/v is sometimes denoted
as a single variable representing the time of flow: the time
flow Q takes to travel from site X 0 to some other downstream site for a distance of X.
As rivers approach the sea, the dispersion coefficient D
increases and the net downstream velocity v decreases.
Because the flow Q equals the cross-sectional area A times
the velocity v, Q Av, and since the parameter m can
be defined as (v2 4kD)1/2/v, then as the velocity
v approaches 0, the term Qm Av(v2 4kD)1/2/v
approaches 2A(kD)1/2. The exponent vX(1 m)/2D in
Equation 12.12 approaches X(k/D)1/2.
Hence for small velocities, Equation 12.12 becomes
C( X )
X 0
] X 0
(WC / 2 A( kD )1 / 2 ) exp[ X ( k / D )1 / 2 ]
(W / 2 A(kD)
C
1/ 2
X>0
distance X
advection only
advection and dispersion
dispersion only
) exp[ X ( k / D )
1/ 2
(12.17)
Here, dispersion is much more important than advective
transport and the concentration profile approaches a
symmetric distribution, as shown in Figure 12.4, about
the point of discharge at X 0.
E020730d
(12.15)
Assuming D 0 and v, Q and k 0, Equation 12.12

becomes
X=0
concentration C(X)
C(0) WC /Qm
387
distance from discharge point
Figure 12.4. Constituent concentration distribution along

a river or estuary resulting from a constant discharge of that
constituent at a single point source in that river or estuary.
Water quality management models are often used to

assess the effect of pollutant loadings on ambient waters
and to compare the results with specific water quality
standards. The above steady-state equations can be
used to construct such a model for estimating the
wastewater removal efficiencies required at each wastewater discharge site that will result in an ambient
stream quality that meets the standards along a stream
or river.
Figure 12.5 shows a schematic of a river into which
wastewater containing constituent C is being discharged
at four sites. Assume that maximum allowable concentrations of the constituent C are specified at each of those
discharge sites. To estimate the necessary reduction
in these discharges, the river must be divided into
approximately homogenous reaches. Each reach can be
characterized by constant values of the cross-sectional
area, A, dispersion coefficient, D, constituent decay rate
constant, k, and velocity, v, associated with some design
flow and temperature conditions. These parameter values
and the length, X, of each reach can differ; hence, the
subscript index i will be used to denote the particular
parameter values for the particular reach. These reaches
are shown in Figure 12.5.
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W1
Figure 12.5. Optimization model

for finding constituent removal
efficiencies, Ri, at each
discharge site i that result in
meeting stream quality
standards, Ci max, at least total
cost.
W3
2
6
minimize i Costi(R i)
subject to:
mass balances:
C1 = W 1(1-R 1)/(Qm)1 + C2 TB 1
7
C2 = [C1TF 1(Qm)1 + C3TB 2(Qm)2] / (Qm)2

C3 = [W 3(1-R 3) + C2TF 2(Qm)2 + C7TB 3(Qm)3] / (Qm)3
C4 = [W 4(1-R 4)/(Qm)4 + C5TB 4

8
C5 = [C4TF 4(Qm)4 + C6TB 5(Qm)5] / (Qm)5

C6 = [C5TF 5(Qm)5 + C7TB 6(Qm)6] / (Qm)6
C7 = [C3TF 3(Qm)3 + C6TF 6(Qm)6 + CB 8TB 7(Qm)7] / (Qm)7

C8 = [W 8(1-R 8) + C7TF 7(Qm)7 ] / (Qm)8
E020730e
quality standards and maximum removal

efficiencies:
Ci Cimax i ; R i R imax i
In Figure 12.5 each variable Ci represents the

constituent concentration at the beginning of reach i.
The flows Q represent the design flow conditions. For
each reach i the product (Qimi) is represented by (Qm)i.
The downstream (forward) transfer coefficient, TFi,
equals the applicable part of Equation 12.12,
TFi exp[(v/2D)(1 m)X]
(12.18)
as does the upstream (backward) transfer coefficient, TBi.

TBi exp[(v/2D)(1 m)X]
(12.19)
The parameter m is defined by Equation 12.13.

Solving a model such as the one shown in Figure 12.5
does not mean that the least-cost wasteload allocation
plan will be implemented, but least cost solutions can
identify the additional costs of other imposed constraints,
for example, to ensure equity or extra safety. Models like
this can be used to identify the cost-quality tradeoffs
inherent in any water quality management programme.
Other than economic objectives can also be used to obtain
other tradeoffs.
The model in Figure 12.5 incorporates both advection
and dispersion. If upstream dispersion under design
streamflow conditions is not significant in some reaches,
then the upstream (backward) transfer coefficients, TBi,
for those reaches i will equal 0.
4.3. Design Streamflows for Water Quality

In streams and rivers, the water quality may vary significantly, depending on the water flow. If wasteload
discharges are fairly constant, a high flow serves to dilute
the waste concentration, while where there is a low
flow concentrations may become undesirably high. It is
therefore common practice to pick a low-flow condition
for judging whether or not ambient water quality
standards are being met. This can also be seen from
Equations 12.12, 12.14, 12.15, and 12.16. This often is
the basis for the assumption that the smaller (or more
critical) the design flow, the more likely it is that the
stream quality standards will be met. This is not always
the case, however.
Different regions of the world use different design
low-flow conditions. One example of such a design flow,
which is used in parts of North America, is the minimum
seven-day average flow expected once in ten years on
average. Each year the lowest seven-day average flow is
determined, as shown in Figure 12.6. The sum of each of
the 365 sequences of seven average daily flows is divided
by seven, and the minimum value is selected. This is the
minimum annual average seven-day flow.
These minimum seven-day average flows for each
year of record define a probability distribution whose
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389
E020730g
daily flow
E020730f
Pr
(q < actual annual minimum 7-day average flow)
1.0
minimum annual average

7-day flow
minimum
7-day flow period
days
0.1
0.0
7Q10 flow
minimum 7-days average annual flows q
Figure 12.6. Portion of annual flow time series showing

low flows and the calculation of average seven and
fourteen-day flows.
E020730h
constituent concentration
cumulative probabilities can be plotted. As illustrated

in Figure 12.7, the particular flow on the cumulative
distribution that has a 90% chance of being exceeded
is the design flow. It is the minimum annual average
seven-day flow expected once in ten years. This flow is
commonly called the 7Q10 flow. Analyses have shown
that this daily design flow is exceeded about 99% of the
time in regions where it is used (NRC, 2001). This means
that there is on average only a 1% chance that any daily
flow will be less than this 7Q10 flow.
Consider now any one of the river reaches shown in
Figure 12.5. Assume an initial amount of constituent
mass, M, exists at the beginning of the reach. As the reach
volume, Qt, increases due to the inflow of less polluted
water, the initial concentration, M/Qt, will decrease.
However, the flow velocity will increase, and thus the
time, t, it takes to transport the constituent mass to the
end of that reach will decrease. This means less time for
the decay of the constituent. Thus, wasteload allocations
that meet ambient water quality standards during lowflow conditions may not meet them under higher-flow
conditions, which are observed much more frequently.
Figure 12.8 illustrates how this might happen. This does
not suggest low flows should not be considered when
allocating wasteloads, but rather that a simulation of
water quality concentrations over varying flow conditions
may show that higher-flow conditions at some sites
are even more critical and more frequent than are the
low-flow conditions.
Figure 12.8 shows that for a fixed mass of pollutant at
X 0, under low-flow conditions the more restrictive
Figure 12.7. Determining the minimum seven-day annual

average flow expected once in ten years, designated
7Q10, from the cumulative probability distribution of annual
minimum seven-day average flows.
maximum
allowable concentration
along the river (quality standard)
flow:
higher
lower
distance downstream X
Figure 12.8. Increasing the streamflows decreases initial

concentrations but may increase downstream concentrations.
(lower) maximum pollutant concentration standard in the

downstream portion of the river is met, but that same
standard is violated under more frequent higher-flow
conditions.
4.4. Temperature
Temperature affects almost all water quality processes
taking place in water bodies. For this reason, it may
be important to model temperature when it may vary
substantially over the period of interest, or when the
discharge of heat into water bodies is to be managed.
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Temperature models are based on a heat balance in the

water body. A heat balance takes into account the sources
and sinks of heat. The main sources of heat in a water
body are short-wave solar radiation, long-wave atmospheric radiation, conduction of heat from the atmosphere
to the water and direct heat inputs. The main sinks of heat
are long-wave radiation emitted by the water, evaporation
and conduction from the water to the atmosphere.
Unfortunately, a model with all the sources and sinks of
heat requires measurements of a number of variables and
coefficients that are not always readily available.
One temperature predictor is the simplified model that
assumes an equilibrium temperature Te (C) will be
reached under steady-state meteorological conditions.
The temperature mass balance in a volume segment
depends on the water density (g/cm3), the heat capacity
of water, cp (cal/g/C), and the water depth h (cm). The net
heat input, KH(Te T) (cal/cm2/day), is assumed to be
proportional to the difference of the actual temperature,
T, and the equilibrium temperature, Te (C).
dT/dt KH(Te T)/cph
(12.20)
The overall heat exchange coefficient, KH (cal/cm2/day/C),

is determined in units of Watts/m2/C (1 cal/cm2/day/C
0.4840 Watts/m2/C) from empirical relationships that
include wind velocity, dew point temperature and actual
temperature T (C) (Thomann and Mueller, 1987).
The equilibrium temperature, Te, is obtained from
another empirical relationship involving the overall heat
exchange coefficient, KH, the dew point temperature, Td,
and the short-wave solar radiation, Hs (cal/cm2/day),
Te Td (Hs /KH)
(12.21)
This model simplifies the mathematical relationships of a

complete heat balance and requires less data.
4.5. Sources and Sinks

Sources and sinks of pollutants include wasteloads, and
the physical and biochemical processes that alter those
wasteloads. External inputs of each constituent would have
the form W/Qt or W/(AXX) where W (M/T) is the loading
rate of the constituent and Qt or AXX (L3) represents
the volume of water into which the mass of waste W is
discharged. Constituent growth and decay processes are
discussed in the remaining parts of this Section 4.
4.6. First-Order Constituents

The first-order models are commonly used to predict
water quality constituent decay or growth. They can
represent constituent reactions such as decay or growth in
situations where the time rate of change (dC/dt) in the
concentration C of the constituent, say organic matter
that creates a biochemical oxygen demand (BOD), is
proportional to the concentration of either the same or
another constituent concentration. The temperaturedependent proportionality constant kc (1/day) is called
a rate coefficient or constant. In general, if the rate of
change in some constituent concentration Cj is proportional to the concentration Ci, of constituent i, then
dCj/dt aijki i(T20)Ci
(12.22)
where i is the temperature correction coefficient for ki at

20 C and T is the temperature in C. The parameter aij is
the grams of Cj produced (aij 0) or consumed (aij 0)
per gram Ci. For the prediction of BOD concentration
over time, Ci Cj BOD and aij aBOD 1 in
Equation 12.22. Conservative substances, such as salt,
will have a decay rate constant k of 0. The concentration
of conservative substances depends only on the amount
of water, that is, dilution.
The typical values for the rate coefficients kc and
temperature coefficients i of some constituents C are
in Table 12.1. For bacteria, the first-order decay rate (kB)
can also be expressed in terms of the time to reach
90% mortality (t90, days). The relationship between these
coefficients is given by kB 2.3/t90.
4.7. Dissolved Oxygen

Dissolved oxygen (DO) concentration is a common
indicator of the health of the aquatic ecosystem. DO was
originally modelled in the Ohio River (US) by Streeter
and Phelps (1925). Since then a number of modifications and extensions of the model have been made
relating to the number of sinks and sources of DO being
considered, and how processes involving the nitrogen
cycle and phytoplankton are being modelled, as
illustrated in Figure 12.9.
The sources of DO in a water body include re-aeration
from the atmosphere, photosynthetic oxygen production
from aquatic plants, denitrification and DO inputs. The
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constituent
rate constant k
units
total coliform bacteria (freshwater)
1.0-5.5
-a
1/day
total coliform bacteria (sediments)
0.14-0.21
-a
1/day
total coliform bacteria (seawater)
0.7-3.0
-a
1/day
fecal coliform bacteria (seawater)
37-110
-a
1/day
BOD (no treatment)
0.3-0.4
-a
1/day
BOD (activated sludge treatment)
0.05-0.1
-a
1/day
carbofuran
0.03
-b
1/day
DDT
0.0-0.10
-b
1/day
PCB
0.0-0.007
-b
1/day
pentachlorophenol
0.0-33.6
-b
1/day
constituent
coliform bacteria (freshwater)
1.07
-b
coliform bacteria (saltwater)
1.10
-b
BOD
1.04
-a
---
a - Thomann and Mueller (1987)
b - Schnoor (1996)
E020913a
391
Table 12.1. Typical values of the first-order

decay rate, k, and the temperature correction
factor, , for some constituents.
E020730 j
units
organic matter input
oxygen
atmosphere
CBOD
NBOD
dissolved oxygen
Figure 12.9. The dissolved

oxygen interactions in a water
body, showing the decay
(satisfaction) of carbonaceous,
nitrogenous and sediment
oxygen demands and water body
re-aeration or deaeration (if
supersaturation occurs at the
airwater interface).
waterbody
sediment organic matter
bottom sediment
11:59 AM
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sinks include oxidation of carbonaceous and nitrogenous

material, sediment oxygen demand and respiration by
aquatic plants.
O2/t loads transport re-aeration
net primary production denitrification
mineralization nitrification SOD
The rate of re-aeration is assumed to be proportional to
the difference between the saturation concentration, DOsat
(mg/l), and the concentration of dissolved oxygen, DO
(mg/l). The proportionality coefficient is the re-aeration
rate kr (1/day), defined at temperature T 20 C , which
can be corrected for any temperature T with the
coefficient r(T20). The value of this temperature correction coefficient, , depends on the mixing condition of
the water body. Values generally range from 1.005 to
1.030. In practice, a value of 1.024 is often used (Thomann
and Mueller, 1987). The re-aeration rate constant is a
sensitive parameter. There have been numerous equations
developed to define this rate constant. Table 12.2 lists
some of them.
The saturation concentration, DOsat, of oxygen in
water is a function of the water temperature and salinity
(chloride concentration, Cl (g/m3)), and can be approximated by
DOsat {14.652 0.41022T (0.089392T)
(0.042685T)3}{1 (Cl/100,000)}
DOsat 14.652 0.41022T 0.007991T2

0.000077774T3
(12.23b)
Fitting a second-order polynomial curve to the data

presented in Chapra (1997) results in:
DOsat 14.407 0.3369T 0.0035T2
(12.23c)
as is shown in Figure 12.10.

Because photosynthesis occurs during daylight hours,
photosynthetic oxygen production follows a cyclic,
diurnal, pattern in water. During the day, oxygen
concentrations in water are high and can even become
supersaturated, i.e. concentrations exceeding the saturation concentration. At night, the concentrations drop due
to respiration and other oxygen-consuming processes.
E020730k
392
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saturation DO (mg/l )
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16
14
12
10
8
6
4
data
adjusted curve
2
0
(12.23a)
10
15
20
25
30
35
40
o
temperature ( C )
Figure 12.10. Fitted curve to the saturation dissolved oxygen

concentration (mg/l) as a function of temperature (C).
water and wind velocity (m/s)
units
Table 12.2. Some equations for

defining the re-aeration rate
constant, kr (day1).
E020913b
Elmore and Hayes (1960) derived an analytical expression for the DO saturation concentration, DOsat (mg/l), as
a function of temperature (T, C):
water depth (m)
k r = mass transport coefficient for reaeration (m/day) / (water depth)

=
5.026 (water velocity) 0.969 / (water depth) 1.673 (Churchill, 1962)
3.95 (water velocity) 0.5
/ (water depth) 1.5
= (scale factor) 3.95 (water velocity) 0.5
/ (water depth) 1.5
5.344 (water velocity) 0.670 / (water depth) 1.85
5.13 (water velocity)
(O'Connor and Dobbiens, 1958)

(Owens, Edwards, Gibb, 1964)
/ (water depth) 1.333 (Langbien, Durum, 1967)
= { 0.065 (wind velocity) 2 + 3.86 [(water velocity) / (water depth)] 0.5 } / (water depth)
(van Pagee 1978, Delvigne 1980)
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One can distinguish between the biochemical oxygen

demand from carbonaceous organic matter (CBOD, mg/l)
in the water, and that from nitrogenous organic matter
(NBOD, mg/l) in the water. There is also the oxygen
demand from carbonaceous and nitrogenous organic
matter in the sediments (SOD, mg/l/day). These oxygen
demands are typically modelled as first-order decay
reactions with decay rate constants kCBOD (1/day) for
CBOD and kNBOD (1/day) for NBOD. These rate constants
vary with temperature, hence they are typically defined
for 20 C. The decay rates are corrected for temperatures
other than 20 C using temperature coefficients CBOD
and NBOD, respectively.
The sediment oxygen demand SOD (mg/l/day) is usually
expressed as a zero-order reaction, that is, a constant
demand. One important feature in modelling NBOD is
ensuring the appropriate time lag between when it is
discharged into a water body and when the oxygen demand
is observed. This lag is in part a function of the level of
treatment in the wastewater treatment plant.
The dissolved oxygen (DO) model with CBOD, NBOD
and SOD is
(T20)
dDO/dt kCBODCBOD
CBOD
(T20)
NBOD
kNBODNBOD
krr(T20)(DOsat DO) SOD
(12.24)
(T20)
CBOD
dCBOD/dt kCBODCBOD
(12.25)
(T20)
dNBOD/dt kNBOD NBOD
NBOD
(12.26)
The mean and range values for coefficients included in

these dissolved oxygen models are shown in Table 12.3.
4.8. Nutrients and Eutrophication

Eutrophication is the progressive process of nutrient
enrichment of water systems. The increase in nutrients
leads to an increase in the productivity of the water
system, which may result in an excessive increase in
the biomass of algae or other primary producers, such as
macrophytes or duck weed. When it is visible on the
surface of the water it is called an algae bloom. Excessive
algal biomass could affect the water quality, especially
if it causes anaerobic conditions and thus impairs the
drinking, recreational and ecological uses.
The eutrophication component of the model relates
the concentration of nutrients and the algal biomass.
Taking the example shown in Figure 12.11, consider
393
the growth of algae A (mg/l), depending on phosphate

phosphorus, P (mg/l), and nitrite/nitrate nitrogen, Nn mg/l),
as the limiting nutrients. There could be other limiting
nutrients or other conditions as well, but here consider only
these two. If either of these two nutrients is absent, the
algae cannot grow, regardless of the abundance of the other
nutrient. The uptake of the more abundant nutrient will
not occur.
To account for this, algal growth is commonly
modelled as a MichaelisMenten multiplicative effect; in
other words, the nutrients have a synergistic effect. Model
parameters include a maximum algal growth rate
(1/day) times the fraction of a day, fd, that rate applies
(Figure 12.12), the half saturation constants KP and KN
(mg/l) (shown as KC in Figure 12.13) for phosphate and
nitrate, respectively, and a combined algal respiration and
specific death rate constant e (1/day) that creates an
oxygen demand. The uptake of phosphate, ammonia and
nitrite/nitrate by algae is assumed to occur in proportion
to their contents in the algae biomass. Define these
proportions as aP, aA and aN, respectively.
In addition to the above parameters, one needs to
know the amounts of oxygen consumed in the oxidation
of organic phosphorus, Po, and the amounts of oxygen
produced by photosynthesis and consumed by respiration. In the model below, some average values have
been assumed. Also assumed are constant temperature
correction factors for all processes pertaining to any
individual constituent. This reduces the number of
parameters needed, but is not necessarily realistic. Clearly
other processes as well as other parameters could be
added, but the purpose here is to illustrate how these
models are developed. Users of water quality simulation
programs will appreciate the many different assumptions
that can be made and the large amount of parameters
associated with most of them.
The source and sink terms of the relatively simple
eutrophication model shown in Figure 12.11 can be
written as follows:
For algae biomass:
dA/dt fdA(T20)[P/(P KP)][Nn/(Nn KN)]
A eA(T20)A
(12.27)
For organic phosphorus:

dPo /dt kopop(T20)Po
(12.28)
394
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Table 12.3. Typical values of

parameters used in the
dissolved oxygen models.
parameter
value
k r , slow, deep rivers
0.1-0.4
-a
1/day
k r , typical conditions
0.4-1.5
-a
1/day
k r , swift, deep rivers
1.5-4.0
-a
1/day
k r , swift, shallow rivers
4.0-10.0
-a
1/day
k CBOD , untreated discharges
0.35
(0.20-0.50)
-b
1/day
k CBOD , primary treatment
0.20
(0.10-0.30)
-b
1/day
k CBOD , activated sludge
0.075 (0.05-0.10)
-b
1/day
CBOD
1.04
-a
1.047
-a
-c
1.024 (1.005-1.030) - c
---
sediment oxygen demand *
value
municipal sludge (outfall vicinity)
(2-10)
-cd
g O2 / m2 / day
municipal sewage sludge
1.5
(1-2)
-cd
g O 2 / m 2 / day
sandy bottom
0.5
(0.2-1.0)
-cd
g O2 / m2 / day
mineral soils
0.07
(0.05-0.1)
-cd
g O 2 / m 2 / day
natural to low pollution
0.1-10.0
-a
g O2 / m2 / day
moderate to heavy pollution
5-10
-a
g O2 / m2 / day
1.04
units
(1.02-1.09)
E020913c
wrm_ch12.qxd
units
a - Schnoor (1996)
c - Thomann and Mueller (1987)
b - Chapra (1997)
d - Bowie et al. (1985)
* value has to be divided by the water height (m)
For phosphate phosphorus:
For nitrate-nitrogen:
dP/dt fdA(T20)[P/(P KP)]
dNn /dt fdA(T20)[P/(P Kp)]
[Nn/(Nn KN)]aP A
(12.29)
[Nn /(Nn KN)]aNA

kaa(T20)Na knn(T20)Nn
For organic nitrogen:

(T20)
dNo /dt konon
No
(12.30)
For ammonia-nitrogen:
(12.32)
For dissolved oxygen:

(T20)
CBOD
dDO/dt kCBODCBOD
dNa /dt fdA(T20)[P/(P KP)]
4.57ka a(T20)Na 2kopop(T20)Po
[Nn /(Nn KN)]aA A

(T20)
No kaa(T20)Na
konon
(1.5 fd 2e)A(T20)A
(12.31)
krr(T20)(DOsat DO) SOD
(12.33)
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395
E020730n
organic matter input
oxygen
Figure 12.11. The dissolved oxygen,

nitrogen and phosphorus cycles, and
phytoplankton interactions in a water
body, showing the decay (satisfaction) of
carbonaceous and sediment oxygen
demands, re-aeration or deaeration of
oxygen at the airwater interface,
ammonification of organic nitrogen in the
detritus, nitrification (oxidation) of
ammonium to nitrate-nitrogen and
oxidation of organic phosphorus in the
sediment or bottom layer to phosphate
phosphorus, phytoplankton production
from nitrate and phosphate consumption,
and phytoplankton respiration and death
contributing to the organic nitrogen and
phosphorus.
atmosphere
CBOD
CBOD
phytoplankton
nitrate-N
detritus
waterbody
dissolved oxygen
phosphate-P
CBOD
ammonia
sediment organic matter
growth rate constant
growth rate constant
bottom sediment
maximum growth rate constant (1/day)
potential
production zone
actual
production
zone
maximum growth rate constant
0.5
E020730o
time of day (hrs)
10
12
14
16
18
20
22
24
effictive
daylight hours (EDH)
Figure 12.12. Calculation of the fraction, fd, of the maximum

growth rate constant, , to use in the algal growth equations.
The fraction fd is the ratio of actual production zone/potential
production zone.
Representative values of the coefficients for this model are

shown in Table 12.4.
Because the growth of phytoplankton cannot occur
without nutrients, the eutrophication modelling must be
coupled with that of nutrients. Nutrient modelling must
include all the different biochemical forms of the nutrients, primarily nitrogen and phosphorus, as well as all the
interactions between the different forms. The sum of all
these interactions is referred to a nutrient cycling.
E020730p
half saturation concentration K c

limiting nutrient concentration C
Figure 12.13. Defining the half saturation constant for a

MichaelisMenten model of algae. The actual growth rate
constant C/(C KC).
The nitrogen cycle includes ammonium (NH4-N) and

nitrate/nitrite (represented as NO3-N) as the main forms
of dissolved nitrogen in water. Furthermore, nitrogen is
present in algae, as well as detritus, resulting from algae
mortality, and suspended (non-detritus) organic nitrogen.
Nitrogen can also be present in different forms in
the bottom sediment. Two important reactions in the
nitrogen nutrient cycle are nitrification and denitrification, which affect the flux of ammonium and nitrate in the
water column.
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Page 396
Table 12.4. Typical values of

coefficients in the eutrophication
model.
parameter
value
k N half saturation
10-20
-a
g N/l
50-200
-c
g NO3 /l
-b
g N/l
1-5
-a
g P/l
20-70
-c
g P/l
10
-b
g P/l
a P stoichoimetric ratio
0.012-0.015
-c
mg P/mg A
stoichoimetric ratio
0.08-0.09
-c
mg NO3 /mg A
maximum algae growth rate
1.5
-b
1/day
death algae rate
0.2-8
-c
1/day
-b
1/day
10
k P half saturation
0.1
units
(1-20)
(1.0-2.0)
(0.05-0.025)
E020913e
wrm_ch12.qxd
a - Thomann and Mueller (1987)

b - Schnoor (1996)
c - Bowie et al. (1985)
Nitrification is the conversion of ammonium to nitrite

and finally nitrate, requiring the presence of oxygen:

NH
4 2O2 NO3 2H2O 2H
(12.34)
Denitrification is the process occurring during the breakdown (oxidation) of organic matter by which nitrate is
transformed to nitrogen gas, which is then usually lost
from the water system. Denitrification occurs in anaerobic
conditions:
NO
3 N2
(12.35)
The phosphorus cycle is simpler than the nitrogen

cycle because there are fewer forms in which phosphorus
can be present. There is only one form of dissolved phosphorus, orthophosphorus (also called orthophosphate,
PO4-P). Like nitrogen, phosphorus also exists in algae,
in detritus and other organic material, as well as in the
bottom sediment. Unlike nitrogen, there can also be
inorganic phosphorus in the particulate phase.
Further details of the nutrient cycles are given in
Section 5.
4.9. Toxic Chemicals

Toxic chemicals, also referred to as micro-pollutants,
are substances that at low concentrations can impair the
reproduction and growth of organisms, including fish
and human beings. These substances include heavy

metals, many synthetic organic compounds (organic
micro-pollutants) and radioactive substances.
4.9.1. Adsorbed and Dissolved Pollutants
An important characteristic of many of these substances
is their affinity with the surface areas of suspended or
bottom sediments. Many chemicals preferentially sorb
onto surfaces of particulate matter rather than remaining
dissolved in water. To model the transport and fate of
these substances, the adsorptiondesorption process,
estimations of the suspended sediment concentration,
resuspension from the bottom and settling are required.
Figure 12.14 depicts the adsorptiondesorption and
first-order decay processes for toxic chemicals and their
interaction in water and sediment. This applies to the
water and sediment phases in both the water body and
the bottom sediments.
The adsorptiondesorption model assumes (conveniently but not always precisely) that an equilibrium
exists between the dissolved (in water) and adsorbed
(on sediments) concentrations of a toxic constituent
such as a heavy metal or organic contaminant. This
equilibrium follows a linear relationship. The slope of that
linear relation is the partition coefficient Kp (litres/kg).
This is shown in Figure 12.15.
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adsorbed
adsorption
desorption
dissolved
decay
397
E020730w
waterbody
concentration in
solid phase mg/kg
(dry weight)
E020730v
K p (mg/kg / mg/l = l/kg)
settling / resuspension
concentration in water phase mg/l
adsorbed
adsorption
desorption
dissolved
decay
bottom sediment
E020913f
Figure 12.14. Schematic of the adsorption/desorption and

decay processes of various toxic chemicals in water bodies
and bottom sediments.
Figure 12.15. Defining the partition coefficient Kp (litres/kg)

as the slope of the fixed ratio between concentrations of a
constituent in the water and sediment phases of either a
water body or bottom sediments. Different constituents have
different partition coefficients, when they apply.
Each partition coefficient Kp (mg/kgDW/mg/l water or

l/kg) is defined as the ratio of the particulate concentration Cp
of a micro-pollutant (mg/kgDW or mg/kgC)
divided by the dissolved concentration Cd
of a micropollutant (mg/l water).
Kp Cp
/ Cd
(12.36)
Representative values of partition coefficients Kp are given

in Table 12.5.
The presence of a micro-pollutant in a water system is
described by the total concentration (sum of dissolved
and particulate concentrations), the total particulate
concentration and the total dissolved concentration for
each water and sediment compartment. The particulate
and dissolved concentrations are derived from the total
concentration and the respective fractions.
Because the fate of most micro-pollutants is largely
determined by adsorption to particulate matter, suspended inorganic and organic matter (including phytoplankton) has to be included in the model in most cases.
It may be necessary to include dissolved organic matter
as well.
The adsorbed fractions in the water column are subject
to settling. The fractions in the sediment are subject to
resuspension. The adsorbed fractions in the sediment
can also be removed from the modelled part of the water
system by burial.
The rates of settling and resuspension of micropollutants are proportional to the rates for particulate
matter. An additional process called bioturbation leads to
Kp parameter
value
arsenic
10 4
l/kg
heavy metals (Cd,Cu,Cr,Zn)
10 4-10 6
l/kg
benzo(a)pyrene
10 4-10 5
l/kg
lead
10 5-10 6
l/kg
units
PCB
10 -10
l/kg
plutonium-239
10 4-10 5
l/kg
methoxychlor
10 4
l/kg
napthalene
10 3
l/kg
Table 12.5. Typical values of partition coefficients in toxic

chemical model from Thomann and Mueller (1987).
the redistribution of the micro-pollutant among sediment

layers. Bioturbation is caused by the physical activity of
organisms, and affects both the particulate and dissolved
phases but at different rates. Bioturbation is taken into
account by means of dispersion coefficients.
For modelling purposes, it is important to know how
much of a toxic chemical is present as a dissolved
constituent, as opposed to adsorbed. Assuming partition
coefficients apply to a particular toxic constituent, the
concentration, Cw, of that constituent in the water body is
divided into a dissolved fraction (fdw) and an adsorbed
fraction (faw);
Cw (fdw faw)Cw
(12.37)
In turn, the adsorbed fraction is composed the fractions

of a micro-pollutant adsorbed to inorganic particulate
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matter, fim, dead particulate organic matter, fpoc, and

algae, falg. The total micro-pollutant concentration,
Cw (mg/m3) is the sum of all these fractions:
Cw (fdw fim fpoc falg)Cw
(12.38)
Considering the simple division into dissolved and

adsorbed fractions (fdw and faw), these fractions depend
on the partition coefficient, Kp, and on the suspended
sediment concentration, SS (mg/l). The proportions of
the total constituent concentration in the water body, Cw,
dissolved in the water, DCw (mg/l), and adsorbed to the
suspended sediments, ACw (mg/l) are defined as
DCw fdwCw
(12.39)
ACw fawCw
(12.40)
where the fractions

fdw 1/(1 KpSS)
(12.41)
faw 1 fdw KpSS/(1 KpSS)
(12.42)
Similarly, in the bottom sediments, the dissolved concentration DCs (mg/l) and adsorbed concentration ACs (mg/l)
are fractions, fds and fas, of the total concentration Cs (mg/l);
DCs fdsCs
(12.43)
ACs fasCs
(12.44)
These fractions are dependent on the sediment porosity,

, and density, s (kg/l):
fds 1/[ s(1 )Kp]
(12.45)
fas 1 fds ([ s(1 )Kp] 1)/

[ s(1 )Kp]
(12.46)
First order decay occurs in the water and sediment phases

only in the dissolved fraction with decay rate constants kw
and ks (1/day), respectively. Thus:
dCw /dt kww(T20) fdwCw
fawCwS fasCsr
(12.47)
dCs /dt kss(T20) fdsCs

fawCwS fasCsr
(12.48)
In the above two equations the parameter s represents

the mass of settling sediments (mg/day), r the mass of
resuspension sediments (mg/day), and the temperature
correction coefficient of the constituent at temperature
T 20 C. If data are not available to distinguish

between the values of the decay rate constants k in water
and on sediments, they may be assumed to be the same.
Similarly, for the values of the temperature correction
coefficients . The settling and resuspension of suspended
solids can be determined each day from a sediment
model.
4.9.2. Heavy Metals
The behaviour of heavy metals in the environment
depends on their inherent chemical properties. Heavy
metals can be divided into different categories according to their dissolved form and redox status. Some
metals, including copper, cadmium, lead, mercury,
nickel, tin and zinc, form free or complexed cations
when dissolved in water, e.g. Cu2 or CuCl. The
soluble complexes are formed with negatively charged
ions such as chlorine, oxygen or dissolved organic
compounds. These heavy metals also tend to form
poorly soluble sulphides under chemically reducing
conditions. These sulphides generally settle in bottom
sediments and are essentially unavailable ecologically.
Other metals such as arsenic and vanadium are present
as anions in dissolved form. The differences between
groups of metals have important consequences for the
partitioning of the metals among several dissolved and
particulate phases.
Metals are non-decaying substances. The fate of heavy
metals in a water system is determined primarily by
partitioning to water and particulate matter (including
phytoplankton), and by transport. The partitioning
divides the total amount of a pollutant into a dissolved
fraction and several adsorbed fractions (as described in
Equations 12.39 12.42). The fractions of a metal that are
adsorbed onto particulate matter are influenced by all the
processes that affect particulate matter, such as settling
and resuspension.
Partitioning is described in general by sorption to
particulates, precipitation in minerals, and complexation
in solution. Complexation with inorganic and organic
ligands can be considered explicitly in connection with
the other processes. Sorption can be modelled as an
equilibrium process (equilibrium partitioning) or as the
resultant of slow adsorption and desorption reactions
(kinetic formulations). In the latter case, partitioning
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is assumed to proceed at a finite rate proportional

to the difference between the actual state and the
equilibrium state.
To describe the fate of certain heavy metals in reducing
environments, such as sediment layers, the formation of
metal sulphides or hydroxides can be modelled. The
soluble metal concentration is determined on the basis of
the relevant solubility product. The excess metal is stored
in a precipitated metal fraction.
Sorption and precipitation affect the dissolved metal
concentration in different ways. Both the adsorbed
and dissolved fractions increase at increasing total
concentration as long as no solubility product is
exceeded. When it is, precipitation occurs.
4.9.3. Organic Micro-pollutants
Organic micro-pollutants are generally biocides (such as
pesticides or herbicides), solvents or combustion
products, and include substances such as hexachlorohexane, hexachlorobenzene, PCBs or polychlorobiphenyls, benzo-a-pyrene and fluoranthene (PAHs or
polycyclic aromatic hydrocarbons), diuron and linuron,
atrazine and simazine, mevinfos and dichlorvos, and
dinoseb.
The short-term fate of organic micro-pollutants in a
water system is determined primarily by partitioning
to water and organic particulate matter (including
phytoplankton), and by transport. Additional processes
such as volatilization and degradation influence organic
micro-pollutant concentrations (this is in contrast to
heavy metals, which do not decay). Many toxic organic
compounds have decay (or daughter) products that
are equally, if not more, toxic than the original
compound. The rates of these processes are concentration
and temperature dependent.
Organic micro-pollutants are generally very poorly
soluble in water and prefer to adsorb to particulate
matter in the water, especially particulate organic matter
and algae. Therefore, the fractions of a micro-pollutant
adsorbed to inorganic matter, fim, dead particulate
organic matter, fpoc, the dissolved fraction of a micropollutant, fd, and algae, falg, add up to the total
micro-pollutant concentration, C (mg/m3);
C (fd fim fpoc falg)C
(12.49)
399
The fractions are functions of the partition coefficients

Kp (for algae (m3/gC), for inorganic matter (m3/gDW)
and for dead particulate organic matter (m3/gC)), the
individual concentrations C (for algae biomass (gC/m3), for
inorganic matter (gDW/m3) and for dead particulate organic
matter (gC/m3)), and the porosity (m3water/m3bulk). In
surface water the value for porosity is 1.
fd /[ Kpalg Calg Kpim Cim
Kppoc Cpoc]
(12.50)
fim (1 fd) Kpim Cim/

[Kpalg Calg Kpim Cim Kppoc Cpoc]
(12.51)
fpoc (1 fd) Kppoc Cpoc/

[Kpalg Calg Kpim Cim Kppoc Cpoc]
(12.52)
falg (1 fd fim fpoc)
(12.53)
In terms of bulk measures, each partition coefficient Kp

(see Equation 12.36) also equals the porosity times the
bulk particulate concentration Cp (mg/m3 bulk) divided
by the product of the dissolved (mg/l bulk) and particulate (mg/m3 bulk) bulk concentrations, Cd Cs, all times
106 mg/kg.
Kp 106 Cp/(CdCs)
(12.54)
Partitioning can be simulated based on the above equilibrium approach or according to slow sorption kinetics. For
the latter, the rate, dCp/dt, of adsorption or desorption
(mg/m3/day) depends on a first order kinetic constant
ksorp (day1) for adsorption and desorption times
the difference between equilibrium particulate concentration Cpe of a micro-pollutant (mg/m3 bulk) and the
actual particulate concentration Cp (mg/m3 bulk) of a
micro-pollutant.
dCp/dt ksorp(Cpe Cp)
(12.55)
The kinetic constant for sorption is not temperature

dependent. All other kinetic constants for micro-pollutants
are temperature dependent.
Mass-balance equations are similar for all micropollutants except for the loss processes.
Metals are conservative substances that can be
transformed into various species either through complexation, adsorption or precipitation. Organic micro-pollutants
are lost by volatilization, biodegradation, photolysis,
hydrolysis and overall degradation. Most of these processes
are usually modelled as first-order processes, with associated rate constants.
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Volatilization is formulated according to the double

film theory. The volatization rate dCd/dt (mg/m3/day)
of dissolved micro-pollutant concentrations, Cd (mg/m3
water), in water depends on an overall transfer coefficient,
kvol (m/day), for volatilization and the depth of the water
column, H (m);
dCd/dt kvol Cd/H
(12.56)
The numerator (kvol Cd) is the volatilization mass flux

(mg/m2/day).
This equation is only valid when the atmospheric
concentration is negligibly small, which is the normal
situation.
All other loss rates such as biodegradation, photolysis,
hydrolysis or overall degradation (mg/m3/day) are usually
modelled as
dC/dt kC
(12.57)
where C is the total concentration of a micro-pollutant

(mg/m3), and k is a (pseudo) temperature-dependent
first-order kinetic rate constant for biodegradation,
photolysis, hydrolysis or overall degradation (day1).
4.9.4. Radioactive Substances
The fate of most radionuclides, such as isotopes of iodine
(131I) and cesium (137Cs), in water is determined primarily by partitioning to water and particulate matter
(including phytoplankton), by transport and by decay.
Cesium (Ce) adsorbs to particulate inorganic matter, to
dead particulate organic material, and to phytoplankton,
both reversibly and irreversibly. The irreversible fraction
increases over time as the reversible fraction gradually
transforms into the irreversible fraction. Radioactive
decay proceeds equally for all fractions. Precipitation of
cesium does not occur at low concentrations in natural
water systems.
Iodine is only present in soluble form as an anion
(IO
3 ) and does not adsorb to particulate matter.
Consequently, with respect to transport, iodine is only
subject to advection and dispersion.
Concentrations of radionuclides, CR (mg/m3), are
essentially conservative in a chemical sense, but they
decay by falling apart in other nuclides and various types
of radiation. The radioactive decay rate (mg/m3/day) is
usually modelled as a first order process involving a
kinetic radioactive decay constant, kdec (day1). This
kinetic constant is derived from the half-life time of the

radionuclide. The initial concentration may be expressed
as radioactivity, in order to simulate the activity instead of
the concentration. These state variables can be converted
into each other using:
Ac 103 NAkdecCR /[86400 Mw]
(12.58)
where
Ac activity of the radionuclide (Bq/m3/s)
NA Avogadros number (6.02 * 1023 mole)
Mw molecular weight of the radionuclide (g/mole).
4.10. Sediments
As discussed in the previous section, sediments play
an important role in the transport and fate of chemical
pollutants in water. Natural waters can contain a mixture
of particles ranging from gravel (2 mm to 20 mm) or
sand (0.07 mm to 2 mm) down to very small particles
classified as silt or clay (smaller than 0.07 mm). The very
fine fractions can be carried as colloidal suspension, for
which electrochemical forces play a predominant role.
Considering its large adsorbing capacities, the fine
fraction is characterized as cohesive sediment. Cohesive
sediment can include silt and clay particles as well as
particulate organic matter such as detritus and other
forms of organic carbon, diatoms and other algae. Since
flocculation and adsorbing capacities are of minor
importance for larger particles, they are classified as
non-cohesive sediment.
The behaviour of this fine-grained suspended matter
affects water quality in several ways. First, turbidity and
its effect on the underwater light climate is an important
environmental condition for algae growth. The presence
of suspended sediment increases the attenuation of
light in the water column, which leads to an inhibition
of photosynthetic activity, and hence a reduction in
primary production. Second, the fate of contaminants in
waters is closely related to suspended solids due to
their large adsorbing capacities. Like dissolved matter,
sediment is transported by advection and by turbulent
motion. In addition, the fate of the suspended cohesive
sediment is determined by settling and deposition, as well
as by bed processes of consolidation, bioturbation and
resuspension.
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4.10.1. Processes and Modelling Assumptions

From a water quality perspective, the three most important
sediment processes are sedimentation, resuspension or
erosion, and burial of sediment.
The modelling of sedimentation and erosion processes
originates in part from the PartheniadesKrone concept
(Partheniades, 1962; Krone, 1962). In this concept, the
bottom shear stress plays an essential role in defining
whether or not sedimentation of suspended particles or
erosion of bed material will occur. Sedimentation takes
place when the bottom shear stress drops below a critical
value. Resuspension occurs when the bottom shear stress
exceeds a critical value. The calculation of bed shear stress
is discussed in Section 4.10.5.
For purposes of modelling chemical concentrations
in the bottom sediment, one or more sediment layers
are usually defined. Each sediment layer is assumed
homogeneous (well mixed). The density of the layer can
vary, depending on the variable sediment layer composition. The porosity within a given layer is assumed constant
and user-defined. Water quality models do not generally
consider horizontal transport of bed sediments. This horizontal transport would result in a change in the amount of
sediment present in the bottom, and hence a change in the
thickness of the layer of non-cohesive sediment.
particles, resulting in larger flocs with higher settling

velocities, but increased turbulent shear stresses will
break up the flocs and decrease their settling velocities.
Sedimentation occurs when the bottom shear stress
drops below a critical value. Total shear stress is the sum of
the shear stresses induced by flows and wind waves.
Sedimentation rates can depend on salinity concentrations.
For any sediment particle j that settles out of the water
column, the rate of settling depends on the flow velocity
shear stress, (kg/m/sec2), at the bottom surfacewater
interface, the critical shear stress, j, for the substance j,
a zero order sedimentation rate, ZSj (g/m2/day), and the
sedimentation velocity, VSj (m/day), for the settling
substance, Cj (g dry wt./m3/day), all divided by the depth,
H (m), of settling in the water column.
If the shear stress at the bottom-water interface is less
than the critical shear stress j for the substance j, settling
is assumed to take place. The rate of decrease of the
substance (g dry wt./m3/day) in the water column due to
settling is
dCj /dt [1 (/j)] (ZSj VSjCj)/H j
(12.59)
The corresponding flux (g dry wt./m2 of sediment layer
area/day) of substance j onto the sediment layer (accretion) is
dCjsed/dt (dCj /dt) H
4.10.2. Sedimentation
A characteristic feature of cohesive sediments is their
ability to form aggregates of flocs that settle to the bottom,
in a process called sedimentation. Whether a particle will
settle to the bottom depends on its size and density, and
the chemical conditions of the surrounding water system.
Various laboratory and field measurements show that the
suspended matter concentration strongly influences the
aggregation process and thereby the settling velocities of
the aggregates (Krone, 1962). Strong flocs are denser and
have larger settling velocities.
Sediment floc aggregation depends on the chemical
and physical properties of the sediment, and on salinity
and turbulence. At high sediment concentrations (several
g/l) the particles hinder each other, decreasing their
settling velocity. Turbulence affects the flocculation and
therefore the settling velocity in two opposing ways.
Increased turbulence will increase the collisions between
401
(12.60)
Sedimentation always results in an increase of the

substance settling in the upper sediment bed layer. The
quantity of sedimentation in one model time-step cannot
exceed the available amount of substance in the water
column.
No net resuspension is assumed to take place if
sedimentation occurs.
4.10.3. Resuspension
If the shear stress exceeds the critical shear stress j for
the type substance j, then no net settling takes place.
Instead, resuspension can take place (also called
erosion).
Erosion of cohesive bed material occurs when the bed
shear forces exceed the resistance of the bed sediment. The
resistance of the bed is characterized by a certain critical
erosive strength (bottom shear stress). This critical stress is
determined by several factors, such as the chemical
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composition of the bed material, particle size distribution

and bioturbation. Erosion of sediment is induced by the
bed stress due to flow velocities, tidal and wind-induced
advective flows, and surface waves. Erosion is directly
proportional to the excess of the applied shear stress over
the critical erosive bottom shear stress. One formula for
erosion of homogeneous beds is based on Partheniades
(1962). The erosion/resuspension flux is limited by the
available amount of sediment on the sea bed. Typically a
one-layer homogeneous bed is assumed.
The rate of resuspension (g dry wt./m2 of bottom layer
area/day) of substance j going into the water column
depends on these flow velocity shear stresses, a zero-order
resuspension flux ZR (g/m2/day) if any, a resuspension
rate constant kRj (day1), and the amount of substance
Cjsed in the top sediment layer (g/m2);
dCj /dt [(/j) 1](ZRj kRjCjsed)/H j
(12.61)
The corresponding flux (g dry wt./m2 sediment layer
area/day) of substance Cjsed from the sediment layer area
(erosion) is
dCjsed/dt (dCj /dt) H
(12.62)
No sedimentation is assumed if resuspension occurs.

Resuspension results in a decrease of sediment in the
upper sediment bed layer. The sedimentation in one
model time step cannot exceed the available amount
of substance in the sediment layer. The values of ZRj and
strongly depend on the sediment properties and environmental parameter values.
For water quality considerations, the chemical composition of the resuspending sediment is assumed to be
the same as that of the bottom sediment. Resuspension of
chemical component concentrations, Nj (g/m3/day), in
a substance from the sediment layer is simply the
substance, Csed resuspension flux (g dry wt./m2/day)
(Equation 12.62) times the fraction, frj, of component j in
the substance divided by the depth, H, of water column:
dNj/dt frj(dC sed/dt)/H
(12.63)
4.10.4. Burial
Burial is a term used to convey that bed sediment is
no longer available for resuspension because it has
been covered by much newer sediment, i.e. it has been
buried. This concept is important especially with respect

to contaminated sediments, as it implies that buried
contaminated sediments are isolated from the overlying
water column and no longer pose a threat to the water
quality.
Burial is a sink for sediments that are otherwise
susceptible for resuspension. Assuming a fixed active
sediment layer thickness, burial occurs when this thickness is exceeded. Establishing this requires knowledge
of the depth, hj (m/g dry wt/m2) of particle size
substance j per unit dry wt per square metre. Hence, if
the total depth of the active sediment layer, jCjsedhj, is
greater than the assumed maximum depth, Dmax (m), of
active sediment layer, then burial will result. The
decrease in available sediment substance j will be in
proportion to its contribution, Cjsedhj, to the total depth,
j Cjsedhj, of the sediment layer. The burial flux will
equal a burial rate constant kB (day1 and usually
set equal to 1) times the amount Cjsed of substance
j times the depth ratio times the excess depth ratio,
(jCjsedhj Dmax)/(jCjsedhj).
sed
dC bur
C sed
j /dt kBC j
j hj
sed
j hj
j hj
/j C sed
D max
C h
sed
j
j
(12.64)
4.10.5. Bed Shear Stress

The bed shear stress directly influences the sedimentation
and erosion rates. It depends on the flow (currents) and
the wind-generated (and sometimes human- generated)
surface waves. For sedimentationerosion processes,
it is usually assumed that the total bed shear stress,
(Newton/m2 or kg/m/s2) due to flow, flow, and waves,
wave, are additive:
flow wave
(12.65)
The bed shear stress flow for depth-averaged flow

depends on the water density (1,000 kg/m3), the horizontal flow velocity, Uh (m/s), acceleration of gravity,
g (9.81 m/s2), and a Chezy coefficient, Cz (m0.5/s).
flow 1,000 (9.81)Uh2/Cz2
(12.66)
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The Chezy coefficient, Cz (m0.5/s), is defined as a function

of water depth, H (m), and bottom roughness length
(Nikuradse equivalent roughness length) (m), Rough (m),
or Mannings roughness coefficient, n (s/m1/3):
(12.67)
Cz (H) /n
(12.68)
1/6
Both Nikuradses roughness coefficient and Mannings

roughness coefficient may be changing due to bed load
movements. Here (and in most models) they are assumed
fixed.
Surface waves are caused by wind stress on the water
surface. The magnitude of the waves depends on the
wind conditions, wind duration, water depth and bottom
friction. Wave fields are commonly described by the
significant wave height, significant wave period and
wavelength. Waves induce a vertical circular movement
(orbital velocity) that decreases with depth. The waves
exert friction forces on the bed during propagation.
The magnitude of the bed shear stress, wave, due to
waves depends on a wave friction factor, fw, the density of
water, (1,000 kg/m3) and the effective orbital horizontal
velocity at the bed surface, Uo.
wave 0.25 (1,000) fwUo2
(12.69)
The wave friction factor, fw, and the effective orbital

horizontal velocity at the bed surface, Uo, are functions
of three wave parameters: the significant wave height,
Hs (m), the mean wave period, Tm (s), and mean wave
length, Lm (m) (see also Figure 12.16). Also required is
the depth of water, H (m).
The effective horizontal bottom velocity due to waves
is defined as
Uo Hs /[Tm sinh(2H/Lm)]
(12.70)
The friction or shear factor, fw, can be calculated in two

ways (Monbaliu, et al., 1999). One way is
fw 0.16 [Rough/(Uo Tm /2)]0.5
(12.71)
The other way uses a factor depending on a parameter A

defined as
A Hs /[2 Rough sinh(2H/Lm)]
(12.72)
If A 1.47 then
fw exp{5.977 5.123H0.194}
(12.73)
Otherwise
fw 0.32
(12.74)
length
crest
crest
height
still-water line
trough
E020801a
Cz 18 log10(12 H/Rough)
403
time of passage = wave period
Figure 12.16. Wave dimensions of significant wave height,

period and length.
4.11. Lakes and Reservoirs

The water quality modelling principles discussed above
are applicable to all different types of water systems:
streams, rivers, lakes, estuaries and even coastal or
ocean waters. This section presents some of the unique
aspects of water quality modelling in lakes. The physical character and water quality of rivers draining
into lakes and reservoirs are governed in part by the
velocity and volume of river water. The characteristics
of the river water typically undergo significant changes
as the water enters the lake or reservoir, primarily
because its velocity reduces. Sediment and other
material that were carried in the faster-flowing water
settle out in the basin.
The structure of the biological communities also
changes from organisms suited to living in flowing
waters to those that thrive in standing or pooled waters.
There are greater opportunities for the growth of
algae (phytoplankton) and the development of
eutrophication.
Reservoirs typically receive larger inputs of water (as
well as soil and other materials carried in rivers) than
lakes do, and as a result, may receive larger pollutant
loads. However, because of greater water inflows, flushing
rates are more rapid than in lakes. Thus, although reservoirs may receive greater pollutant loads than lakes, they
have the potential to flush out the pollutants more
rapidly. Reservoirs may therefore exhibit fewer or less
severe negative water quality or biological impacts than
lakes for the same pollutant load.
The water quality of lakes and reservoirs is defined by
variables measured within the water basin. Although
there are many variables of limnological significance,
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water quality is typically characterized on the basis of

conditions such as:
water clarity or transparency (greater water clarity
usually indicates better water quality)
concentration of nutrients (lower concentrations
indicate better water quality)
quantity of algae (lower levels indicate better water
quality)
oxygen concentration (higher concentrations are
preferred for fisheries)
concentration of dissolved minerals (lower values
indicate better water quality)
acidity (a neutral pH of 7 is preferred).
E020809a
Many waste chemical compounds from industry, some

with toxic or deleterious effects on humans and/or other
water-dependent organisms and products, are discharged
into lakes and reservoirs. Some can kill aquatic organisms
and damage irrigated crops. Inadequate water purification
resulting in the discharge of bacteria, viruses and other
organisms into natural waters can be a primary cause of

waterborne disease. Although dangerous to human health
worldwide, such problems are particularly severe in
developing countries.
There can be major differences between deep and
shallow lakes or reservoirs. Deep lakes, particularly in
non-tropical regions, usually have poorer water quality in
their lower layers, due to stratification (see Section 4.11.3).
Shallow lakes do not exhibit this depth differentiation
in quality. Their more shallow, shoreline areas have
relatively poorer water quality because those sites are
where pollutant inputs are discharged and have a greater
potential for disturbance of bottom muds and the like.
The water quality of a natural lake usually improves as
one moves from the shoreline to the deeper central part.
In contrast, the deepest end of a reservoir is usually
immediately upstream of the dam. Water quality usually
improves along the length of a reservoir, from the shallow
inflow end to the deeper, lake-like end near the dam, as
shown in Figure 12.17.
Figure 12.17. Longitudinal

zonation of water quality and
other variables in reservoirs
(UNDP, 2000).
riverine zone
transitional zone
lacustrine zone
narrow, channelized basin
broader, deeper basin
broad, deep, lake-like basin
relatively high flow rates
reduced flow rates
low flow rates
high suspended solids
reduced suspended solids
relatively clear
low light availability at

depth
nutrient supply by
advection
light availability at
depth
advective nutrient supply

reduced
high light availability at

depth
nutrient supply by
internal recycling
relatively high nutrient

levels
relatively low nutrient

levels
light-limited primary
productivity
primary productivity
relatively high
nutrient-limited primary
productivity
cell losses primarily

by sedimentation
cell losses by grazing

and sedimentation
cell losses primarily

by grazing
organic matter sypply

primarily allochthonous
intermediate
organic matter sypply

primarily autochthonous
more eutrophic
intermediate
more oligotrophic
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Reservoirs, particularly the deeper ones, are also

distinguished from lakes by the presence of a longitudinal
gradient in physical, chemical and biological water
quality characteristics from the upstream river end to the
downstream dam end. Because of this, reservoirs have
been characterized as comprising three major zones: an
upstream riverine zone, a downstream lake-like zone at
the dam end, and a transitional zone separating these two
(Figure 12.17). The relative size and volume of the three
zones can vary greatly in a given reservoir.
4.11.1. Downstream Characteristics
Constructing a dam can produce dramatic changes in the
downstream river channel below it. These are quite unlike
downstream changes from lakes. Because reservoirs act
as sediment and nutrient traps, the water at the dam end
of a reservoir is typically of higher quality than water
entering the reservoir. This higher-quality water subsequently flows into the downstream river channel below
the dam. This phenomenon is sometimes a problem,
in that the smaller the quantity of sediments and other
materials transported in the discharged water, the greater
the quantity that it can now pick up and transport.
Because it contains less sediment, the discharged water
can scour and erode the streambed and banks, picking up
new sediment as it continues downstream. This scouring
effect can have significant negative impacts on the flora,
fauna and biological community structure in the downstream river channel. The removal of sediments from a
river by reservoirs also has important biological effects,
particularly on floodplains.
Many reservoirs, especially those used for drinking
supplies, have water release or discharge structures located
at different vertical levels in their dams (Figure 12.18).
This allows for the withdrawal or discharge of water
from different layers within the reservoir, known
as selective withdrawal. Depending on the quality of
the water discharged, selective withdrawal can significantly affect water quality within the reservoir itself, as
well as the chemical composition and temperature of
the downstream river. Being able to regulate both
quantities and qualities of the downstream hydrological
regimes makes it possible to affect both flora and
fauna, and possibly even the geomorphology of the
stream or river.
405
E020730y
thermocline
anoxic layer
B
C
Figure 12.18. A multiple-outlet reservoir can be better used

to regulate the temperature and water quality downstream.
Constructing a reservoir may have significant social

and economic implications, including the potential for
stimulating urban and agricultural development adjacent
to, and below, the reservoir. These activities can have
both positive and negative impacts on downstream
water quality, depending on the nature and size of
development.
Agriculture is often the leading source of pollution
in lakes. Healthy lake ecosystems contain nutrients in
small quantities from natural sources, but extra inputs of
nutrients (primarily nitrogen and phosphorus) unbalance
lake ecosystems. When temperature and light conditions
are favourable, excessive nutrients stimulate population
explosions of undesirable algae and aquatic weeds. After
the algae die, they sink to the lake bottom, where bacteria consume the available dissolved oxygen as they
decompose the algae. Fish may die and foul odours may
result if dissolved oxygen is depleted.
Heavy metals are another major cause of lake quality
impairment. Our knowledge of this is mainly due to
the widespread detection of heavy metals in fish tissue
samples. Since it is difficult to measure mercury in
ambient water, and since it bioaccumulates in fish tissue,
fish samples are commonly used to indicate the level of
contamination. Common sources of mercury involve
atmospheric transport from power-generating facilities
and other smoke-stack industries.
In addition to nutrient and metal siltation, enrichment by organic wastes that deplete oxygen and by
noxious aquatic plants affect lakes and reservoirs. Often,
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several pollutants and processes affect a single lake. For

example, a process such as removal of shoreline vegetation may accelerate erosion of sediment and nutrients
into a lake. Extreme acidity (low pH) resulting from acid
rain can eliminate fish in isolated lakes. Urban runoff
and storm sewers, municipal sewage treatment plants,
and hydrological modifications are also sources of lake
pollutants.
The prediction of water quality in surface water
impoundments is based on mass-balance relationships
similar to those used to predict water quality concentrations in streams and estuaries. There are also significant
problems in predicting the water quality of lakes or reservoirs compared to those of river and estuarine systems.
One is the increased importance of wind-induced mixing
processes and thermal stratification. Another, for reservoirs, is the impact of various reservoir-operating policies.
C(t1) equal to 0 and letting t go to infinity in Equation

12.76. The net result is
Ce WC/(Q kCV)
The time, t, since the introduction of a mass input WC

that is required to reach a given fraction of the equilibrium concentration (i.e., C(t)/Ce ) is
t V[ln(1 )]/(Q KCV)
Perhaps the simplest way to begin modelling lakes is

to consider shallow well-mixed constant-volume lakes
subject to a constant pollutant loading. The flux of any
constituent concentration, C, in the lake equals the mass
input of the constituent less the mass output less losses
due to decay or sedimentation, if any, all divided by the
lake volume V (m3). Given a constant constituent input
rate WC (g/day) of a constituent having a net decay and
sedimentation rate constant kC (day1) into a lake having
a volume V (m3) and inflow and outflow rate of
Q (m3/day), then the rate of change in the concentration
C (g/m3/day) is
dC/dt (1/V) (WC QC kCCV)
(12.75)
Integrating this equation yields a predictive expression of

the concentration C(t) of the constituent at the end of any
time period t based in part on what the concentration,
C(t1), was at the end of the previous time period, t1.
For a period duration of t days,
C(t) [WC/(Q kCV)]
[1 exp{t((Q/V) kC)}]
C(t1) exp{t((Q/V) kC)}
(12.76)
The equilibrium concentration, Ce, can be obtained by

assuming each concentration is equal in Equation 12.76
or by setting the rate in Equation 12.75 to 0, or by setting
(12.78)
Similar equations can be developed to estimate the

concentrations and times associated with a decrease in
a pollutant concentration. For the perfectly mixed lake
having an initial constituent concentration C(0), say after
an accidental spill, and no further additions, the change
in concentration with respect to time is
dC/dt C (Q kCV)/V
(12.79)
Integrating this equation, the concentration C(t) is

C(t) C(0) exp{ t((Q/V) KC)
4.11.2. Lake Quality Models
(12.77)
(12.80)
In this case, one can solve for the time t required for the
constituent to reach a fraction (1 ) of the initial concentration C(0) (that is, C(t)/C(0) (1 )). The result is
Equation 12.78.
Equation 12.76 can be used to form an optimization
model for determining the wasteload inputs to this wellmixed lake that meet water quality standards. Assuming
that the total of all natural wasteloads WC(t), inflows and
outflows Q(t), and the maximum allowable constituent
concentrations in the lake, C(t)max, may vary among
different within-year periods t, the minimum fraction, X,
of total waste removal required can be found by solving
the following linear optimization model:
Minimize X
(12.81)
Subject to the following mass-balance and constituent
concentration constraints for each period t:
C(t) [WC(t)(1X)/(Q(t) kCV)]
[1 exp{t((Q(t)/V) kC)}]
C(t1) exp{t((Q(t)/V) kC)}
(12.82)
C(t) C(t)max
(12.83)
If each period t is a within-year period, and if the wasteloadings and flows in each year are the same, then no
initial concentrations need be assumed and a steady state
solution can be found. This solution will indicate, for the
loadings WC(t), the fraction X of waste removal that meet
the quality standards, C(t)max , throughout the year.
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4.11.3. Stratified Impoundments

Many deep impoundments become stratified during
particular times of the year. Vertical temperature
gradients arise that imply vertical density gradients. The
depth-dependent density gradients in stratified lakes
effectively prevent complete vertical mixing. Particularly
in the summer season, lakes may exhibit two zones: an
upper volume of warm water called the epilimnion and
a lower colder volume called the hypolimnion. The transition zone or boundary between the two zones is called the
thermocline (Figure 12.18).
Because of lake stratification, many models divide the
depth of water into layers, each of which is assumed to be
fully mixed. To illustrate this approach without getting
into too much detail, consider a simple two-layer lake in
the summer that becomes a one-layer lake in the winter.
This is illustrated in Figure 12.19
Discharges of a mass WC of constituent C in a flow
Qin(t) into the lake in period t have concentrations of
WC/Qin(t). The concentration in the outflows from the
summer epilimnion is Ce(t) for each period t in the summer season. The concentration of the outflows from the
summer stratification
407
winter lake as a whole is C(t) for each period t in the

winter season. The summer time rates of change in the epilimnion constituent concentrations Ce(t) and hypolimnion
concentrations Ch(t) depend on the mass inflow, WC(t), and
outflow, Ce(t)Qout(t), the net vertical transfer across thermocline, (v/DT)[Ch(t)Vh(t) Ce(t)Ve(t)], the settling on sediment
interface, sHh(t)Ch(t), and the decay, kCe(t):
dCe(t)/dt (1/Ve(t)){(WC(t) Ce(t)Qout(t))
(v/DT)[Ch(t)Vh(t) Ce(t)Ve(t)]} kCe(t)
(12.84)
dCh(t)/dt kCh(t) (v/DT)[Ch(t) Ce(t)Ve(t)/Vh(t)]
sHh(t)Ch(t)
(12.85)
In the above two equations, Ve and Vh (m3) are the timedependent volumes of the epilimnion and hypolimnion
respectively; k (day1) is the temperature-corrected decay
rate constant; v (m/day) is the net vertical exchange
velocity that includes effects of vertical dispersion,
erosion of hypolimnion, and other processes that transfer
materials across the thermocline of thickness DT (m); s is
the settling rate velocity (m/day); and Hh(t) is the average
depth of the hypolimnion (m).
winter circulation
mass input
Wc (t)
Figure 12.19. Lake stratification during

summer and complete mixing during
winter season.
mass output
C(t)Q out (t)
E020730z
settling
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In the winter season the lake is assumed to be fully

mixed. Thus for all periods t in the winter season the
initial concentration of a constituent is:
C(t) Ce(t)Ve(t) Ch(t)Vh(t)/[Ve Vh]
(12.86)
dC(t)/dt (1/V(t)){(WC(t) C(t)Qout(t))

kCe(t) sH(t)C(t)
(12.87)
At the beginning of the summer season, each epilimnion

and hypolimnion concentration will be the same:
Ce(t) C(t)
(12.88)
Ch(t) C(t)
(12.89)
5. An Algal Biomass Prediction

Model
An alternative approach to modelling the nutrient,
oxygen and algae parts of an ecological model has
been implemented in a simulation model developed by
WL | Delft Hydraulics called DELWAQ-BLOOM (Los,
1991; Los et al., 1992; Molen et al., 1994; Smits 2001;
WL | Delft Hydraulics, 2003). This model is used to
predict algae growth and mortality, oxygen concentrations and nutrient dynamics.
The ecological model DELWAQ-BLOOM calculates
the advection and dispersion of constituents (state
variables) in the water column, and the water quality and
ecological processes affecting the concentrations of the
constituents. It is based on a three-dimensional version of
the governing Equation 12.10. The focus here will be on
the source and sink terms in that equation that define the
water quality and ecological processes, mostly related to
algae growth and mortality, mineralization of organic
matter, nutrient uptake and release, and oxygen production and consumption.
For this discussion, consider three nutrient cycles
(nitrogen, N, phosphorus, P, and silica, Si) and five
different groups of algae, (phytoplankton (diatoms, flagellates and dinoflagellates) or macroalgae (attached
or suspended Ulva)), suspended and bottom detritus,
oxygen and inorganic phosphorus particulate matter
in the bottom sediments. Different predefined sets
of species are available for marine and freshwater
ecosystems.
The model processes relating these substances are all

interrelated. However, for clarity, the processes can
be grouped into nutrient cycling, algae modelling, and
oxygen-related processes.
5.1. Nutrient Cycling

The DELWAQ-BLOOM model assumes that algae
consume ammonia and nitrate in the water column. It
includes the uptake of inorganic nutrients by bottom
algae, algae-mortality-producing detritus and inorganic
nutrients, mineralization of detritus in the water column producing inorganic nutrients, and mineralization
of detritus in the bottom that also produces inorganic
nutrients. Optionally the model includes algae species
with the ability to take up atomic nitrogen (N-fixation)
and detritus (mixotrophic growth). The model accounts
for the settling of suspended detritus and algae and
inorganic adsorbed phosphorus, resuspension of
bottom detritus, release of inorganic bottom nutrients
to the water, burial of bottom detritus, nitrification
or denitrification depending on the dissolved oxygen
concentration, and adsorption/desorption of orthophosphate.
5.2. Mineralization of Detritus

The oxidation or mineralization of the nutrients in detritus (DetN, DetP, DetSi) and also of detritus carbon (DetC)
reduces detritus concentrations. The mineralization
process consumes oxygen and produces inorganic nutrients (NH4, PO4, and SiO2). The fluxes, dC/dt, for these
four constituents C (mg/l or g/m3) are assumed to be
governed by first order processes whose temperature
corrected rate constants are kCC(T20) (1/day). Thus:
dC/dt kCC(T20)C
(12.90)
This equation applies in the water column as well as

in the bottom sediments, but the mineralization rate
constants, kC C(T20), may differ. This rate constant also
depends on the stochiometric composition of detritus,
relative to the requirements of the bacteria. The concentrations of these detritus constituents in the bottom are
usually expressed in grams per square metre of surface
area divided by the depth of the sediment layer.
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5.3. Settling of Detritus and Inorganic

Particulate Phosphorus
the active bottom sediment layer, the flux of constituent

concentration in the water column is
The rate of settling of nutrients in detritus and inorganic

particulate phosphorus out of the water column and on to
the bottom is assumed to be proportional to their water
column concentrations, C. Settling decreases the concentrations of these constituents in the water column.
dC/dt SRC(C)/H
(12.91)
The parameter SRC is the settling velocity (m/day) of

constituent concentration C and H is the depth (m) of the
water column.
5.4. Resuspension of Detritus and Inorganic

Particulate Phosphorus
The rates at which nutrients in detritus and inorganic
particulate phosphorus are resuspended depend on the
flow velocities and resulting shear stresses at the bed
surfacewater column interface. Below a critical shear
stress no resuspension occurs. Resuspension increases the
masses of these constituents in the water column without
changing its volume, and hence increases their concentrations in it. For CB representing the concentration (grams
of dry weight per cubic metre) of resuspended material in
nitrogen in
organic waste
dC/dt RRCCB/H
(12.92)
where RRC (m/day) is the velocity of resuspension

(depending on the flow velocity) and H is the depth of the
water column.
5.5. The Nitrogen Cycle

The nitrogen cycle considers the water-column components of ammonia (NH4-N), nitrite and nitrate (represented
together as NO3-N), algae (AlgN), suspended detritus
(DetN), and suspended (non-detritus) organic nitrogen
(OON). In the bottom, sediment bottom detritus (BDetN)
and bottom diatoms (BDiatN) are considered. Figure 12.20
shows this nitrogen cycle.
5.5.1. Nitrification and Denitrification
Two important reactions in the nitrogen nutrient cycle are
nitrification and denitrification. These reactions affect the
flux of ammonia and nitrate in the water column. Given
sufficient dissolved oxygen and temperature, nitrifying
bacteria in the water column transform ammonium to
N2 gas
mineralization
denitrification
autolysis
sedimentation
nitrogen in
algae
primary
production
mortality
nitrification
NO 3
mineralization
sedimentation
nitrogen in
bottom
mineralization
73
0q
resuspension
NH 4
Figure 12.20. The nitrogen cycle

processes.
primary
production
nitrogen in
detritus
409
20
E0
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nitrite and then nitrate. This can be considered as one

reaction,
where NO3 is the concentration of nitrate nitrogen

(gN/m3).
This process can occur both in the water column and
the sediment, but in both cases results in a loss of nitrate
from the water column. Algae also take up nitratenitrogen. As with nitrification, denitrification decreases
with temperature. The reaction is assumed to stop below
about 5 C.
and nitrate for growth. Different algae prefer either NH4 or

NO3 nitrogen. Upon death they release part of their nitrogen contents as ammonia. The remaining nitrogen of dying
algae becomes suspended detritus and suspended other
organic nitrogen (OON). The latter degrades at a much
slower rate. Algae can also settle to the bottom. Some
macroalgae (Ulva) can be fixed to the bottom, unless wind
and water velocities are high enough to dislodge them.
Once in the bottom sediment, planktonic algae die and
release all their nitrogen contents, as ammonium into the
water column and to organic nitrogen in the sediment. In
contrast macroalgae and bottom diatoms are attached
and are subjected to the normal processes of growth,
mortality and respiration.
Suspended detritus and organic nitrogen are formed
upon the death of algae. Detritus is also produced by
excretion of phyto- and zooplankton and from resuspension of organic matter on and in the sediment. The
detritus concentration in the water column decreases
by bacterial decay, sedimentation and filtration by
zooplankton and benthic suspension feeders.
Bottom detritus is subject to the processes of mineralization, resuspension and burial. Mineralization of
bottom detritus is assumed to be slower than that of
suspended detritus. The ammonia produced from
mineralization is assumed to go directly to ammonia
in the water phase. Sedimentation from the water
column and mortality of algae in the bottom increase the
bottom pool of bottom detritus. The mineralization
rate depends on the composition of the detritus, i.e. is a
function of the nitrogen/carbon and phosphorus/carbon
ratios.
Nitrogen is removed from the system by means of
denitrification, a process that occurs under anoxic conditions. Burial is a process that puts the material in a deep
sediment layer, and effectively removes it from the active
system. This is the only removal process for the other
nutrients (P and Si).
5.5.2. Inorganic Nitrogen
5.6. Phosphorus Cycle
Ammonia is produced when algae die and the cells release

their contents into the surrounding water (in a process
called autolysis) and by the mineralization of organic
nitrogen in the water and bottom sediment. Ammonia is
converted to nitrate by nitrification. Algae use ammonia
The phosphorus cycle (Figure 12.21) is a simplified

version of the nitrogen cycle. There is only one dissolved
pool: orthophosphorus, and only one removal process:
burial. However, unlike nitrogen and silica, there is also
inorganic phosphorus in the particulate phase (AAP).

NH
4 2O2 NO3 H2O 2H
that occurs at a rate (gN/m3/day) of

(T20)
NH4
NH4 /dt kNH4 NH
4
(12.93)
(T20)
Again, kNH4 NH
is the temperature corrected rate
4
constant (1/day), and NH4 is the concentration of
nitrogen in ammonium (gN/m3).
Bacterial activities decrease as temperatures decrease.
Bacterial activities also require oxygen. The nitrification
process stops if the dissolved oxygen level drops below
about 2 mg/l or if the temperature T is less than approximately 5 C.
For each gram of nitrogen in ammonium-nitrogen
NH4-N reduced by nitrification, a gram of nitrate-nitrogen
NO3-N is produced, consuming 2 moles (64 grams)
oxygen per mole (14 grams) of nitrogen (64/14 4.57
grams of oxygen per gram of nitrogen). Nitrification
occurs only in the water column.
In surface waters with a low dissolved-oxygen content,
nitrate can be transformed to free nitrogen by bacterial
activity as part of the process of mineralizing organic
material. This denitrification process can be written as:
organic matter 2NO3 N2 CO2 H2O
(12.94)
Nitrate is (directly) removed from the system by means of

denitrification. The reaction proceeds at a rate:
T 20)
dNO3 / dt kNO3 (NO
NO3
3
(12.95)
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phosphorus in
organic matter
sedimentation
primary
production
PO 4
adsorption
desorption
Figure 12.21. The processes

involved in the phosphorus
cycle.
particulate
inorganic
phosphorus
mortality
phosphorus
in detritus
resuspension
mineralization
autolysis
phosphorus
in algae
411
mineralization
sedimentation
mineralization
sedimentation
73
0
phosphorus
in bottom
20
E0
The phosphorus cycle in the water column includes

orthophosphate (PO4), algae (AlgP), suspended detritus
(DetP), suspended (non-detritus) organic phosphorus
(OOP), inorganic adsorbed (available) P (AAP), and
inorganic adsorbed (unavailable) P (UAP). In the bottom
sediment the cycle includes the bottom detritus (BDetP)
and the bottom inorganic adsorbed P (BAAP).
A reaction specific to the phosphorus cycle is
the adsorbtion/desorption of particulate inorganic phosphorus. Inorganic phosphorus can be present in the
aquatic environment in a dissolved form and adsorbed to
inorganic particles, such as calcium or iron. The transition
from one form into another is not a first order kinetic
process, yet in many models desorption of inorganic
phosphorus is assumed to be such.
bottom sediment the cycle includes the bottom detritus

(BDetSi).
5.8. Summary of Nutrient Cycles

The nutrient cycles just described are based on the
assumption that nutrients can be recycled an infinite
number of times without any losses other than due to
transport, chemical adsorption, denitrification and burial.
This is an over-simplification of the organic part of the
silica
in diatoms
autolysis
primary
production
inorganic
dissolved silica
mortality
resuspension
mineralization
sedimentation
silica
in the bottom
mineralization
0s
The silica cycle is similar to the phosphorus cycle except

that there is no adsorption of silica to inorganic
suspended solids. Silica is only used by diatoms, so
uptake by algae depends on the presence of diatoms. The
silica cycle is shown in Figure 12.22.
The silica cycle in the water column includes dissolved
silica (Si), diatoms (Diat), suspended detritus (DetSi), and
suspended (non-detritus) organic silica (OOSi). In the
silica
in detritus
73
5.7. Silica Cycle
E0
Figure 12.22. The processes involved in the silica cycle.
20
412
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nutrient cycles. The elementary composition of living

algae cells is a complicated function of their characteristics as well as the environmental conditions. Upon dying,
the algae cell contents are released into the surrounding
water. As the cell breaks apart, many of the nutrients are
in a form that makes them instantly available for algae cell
growth (autolysis). The remaining material consists of
more or less degradable substances. Most of this material
is mineralized either in the water or at the bottom, but a
small portion degrades very slowly if at all. Most of this
material settles and is ultimately buried. Resuspension
delays but does not stop this process by which nutrients
are permanently removed from the water system.
For simplicity, all possible removal processes are
lumped into a single term, which is modelled as burial.
For example, if a nominal value of 0.0025 per day is used,
this means that 0.25% of the bottom amount is buried
each day.
The same formulation is used for all three nutrients.
Whether or not this is correct depends on the actual
removal process. If deactivation is mainly burial into
deeper layers of the sediment, there is no reason to
distinguish between different nutrients. Other processes
such as chemical binding, however, may deactivate
phosphorus, but not nitrogen or silica.
inorganic carbon
5.9.1. Algae Species Concentrations

The module BLOOM II computes phytoplankton within
DELWAQ-BLOOM. It is based upon the principle of
competition between different species. The basic variables
of this module are called types. A type represents the
NH 4 and NO 3
nitrogen detritus
phosphate
phosphorus
detritus
silica
silica detritus
net production
mortality
mineralization
Figure 12.23. Modelling of diatoms.
inorganic carbon
carbon detritus
other
algae
E020730u
5.9. Algae Modelling

Algal processes include primary production, mortality
(producing detritus and inorganic nutrients) and grazing,
settling to become bottom algae and the resuspension of
bottom algae, the mortality of bottom algae to bottom
detritus, and the burial of bottom algae.
The basic behaviour of algae in surface water can be
illustrated by the two diagrams in Figures 12.23 and
12.24. These show the nutrient and carbon fluxes for
diatoms and other algae. Diatoms are distinguished from
other algae in that they need silicate to grow.
carbon detritus
diatoms
E020730t
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NH 4 and NO 3
nitrogen detritus
phosphate
phosphorus
detritus
net production
mortality
mineralization
Figure 12.24. Modelling of other algae besides diatoms.
physiological state of a species. Usually a distinction

is made between three different types: an N-type for
nitrogen limitation, a P-type for phosphorus limitation
and an E-type for light energy limitation, whose nutrient
content is high (luxury uptake). The solution algorithm of
the model considers all potentially limiting factors and
first selects the one that is most likely to become limiting.
It then selects the best-adapted type for that limitation.
The suitability of a type (its fitness) is determined by the
ratio of its requirement for that particular resource and
its growth rate in equal proportion. This means that a
type can become dominant either because it needs a
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comparatively small amount of a limiting resource (it is

efficient) or because it grows rapidly (it is opportunistic).
Now the algorithm considers the next potentially
limiting factor and again selects the best-adapted phytoplankton type. This procedure is repeated until it is
impossible to select a new pair of a type and limiting
factor without violating (that is, over-exhausting) some
limiting factor. Thus the model seeks the optimum
solution consisting of n types and n limiting factors. To
that purpose, it uses linear programming. Typically,
BLOOM II considers between three and ten representative
algae species and six to fifteen types.
As a further refinement BLOOM II takes the existing
biomasses of all phytoplankton types into account. These
are the result of growth, loss processes and transport
during the previous time steps. Thus, the optimization
algorithm does not start from scratch.
As they represent different physiological stages of the
same species, the transition of one type to another is a rapid
process with a characteristic time step in the order of a day.
The equations of the model are formulated in a way that
allows such a rapid shift between types of the same species.
A transition between different species is a much slower
process as it depends on mortality and net growth rates.
It is interesting that the principle just described, by
which each phytoplankton type maximizes its own
benefit, effectively means that the total net production of
the phytoplankton community is maximized.
Denote each distinct species subtype (from now
on called type) by the index k. The BLOOM II module
identifies the optimum concentration of biomass, Bk, of
each algae type k that can be supported in the aquatic
environment characterized by light conditions and nutrient concentrations. Using the net growth rate constant Pnk,
it will
Maximize
PnkBk
(12.96)
The sum of the biomass concentrations over all types k is

the total algae biomass concentration.
For each algae type, the requirements for nitrogen,
phosphorus and silica (used only by diatoms) are specified by coefficients nik, the fraction of nutrient i per unit
biomass concentration of algae type k.
The total readily available concentration, Ci (g/m3) of
each nutrient in the water column equals the amount in
413
the total living biomass of algae, k(nikBk), plus the

amount incorporated in dead algae, di, plus that dissolved
in the water, wi. These mass-balance constraints apply for
each nutrient i.
(nik Bk) di wi Ci
(12.97)
The unknown concentration variables Bk, di and wi are

non-negative. All nutrient concentrations Ci are the
modelled (optionally measured) total concentrations and
are assumed to remain constant throughout the time
period (typically a day).
5.9.2. Nutrient Recycling
A certain amount of each algae type k dies in each time
step, and this takes nutrients out of the live phytoplankton pool. Most of it remains in the detritus and other
organic nutrient pools; a smaller fraction (in the order of
30%) is directly available to grow new algae because the
dead cells break apart (autolysis) and are dissolved in the
water column. Detritus may be removed to the bottom or
to the dissolved nutrient pools at rates in proportion to its
concentration. Needed to model this are the mortality
rate, Mk (day1), of algae type k; the fraction, fp; of dead
phytoplankton cells that is not immediately released
when a cell dies; the remineralization rate constant, mi
(day1), of dead phytoplankton cells; the fraction, nik, of
nutrient i per unit biomass concentration of algae type k;
and the settling rate constant, s (day1), of dead phytoplankton cells.
The rate of change in the nutrient concentration of
the dead phytoplankton cells, ddi/dt, in the water column
equals the increase due to mortality less that which
remineralizes and that which settles to the bottom;
ddi/dt (fpMknikBk) midi sdi
(12.98)
Both mortality and mineralization rate constants are

temperature dependent.
5.9.3. Energy Limitation
Algae absorb light for photosynthesis. Energy becomes
limiting through self-shading when the total light absorption of algae, called light extinction, exceeds the
maximum at which primary production is just balanced
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by respiration and mortality. For each algae type k there

exists a specific extinction value Kkmax (1/m) at which this
is the case. The light intensity can also be too high, which
means the total extinction is too low (photo-inhibition)
for growth. This specific extinction value is Kkmin.
The ranges between Kkmin and Kkmax differ for different
algal types k. Letting Kk (m3/m/gdry) represent the
specific light absorbing extinction constant for living
material of algae type k, the total extinction due to all
living algae is
KL
(KkBk)
(12.99)
Added to this must be the extinction caused by dead cells,

KD, and the background extinction of the water, KW
(1/m). As defined here, KW includes the extinction by
inorganic suspended matter and humic substances.
Kkmin KL KD KW Kkmax
(12.100)
In an alternate formulation used in DELWAQ-BLOOM,

the total light extinction coefficient in the water column
(in m1) is the sum of background extinction (Kb, water
and non-modelled substances) and extinction due to
detritus (Kdet), inorganic material (Kim), dissolved organic
matter or yellow substances (Kdom) and phytoplankton
(Kphyt):
Extinction Kb Kdet Kim Kdom Kphyt
(12.101)
The extinction from each component is calculated by

its concentration multiplied by its specific extinction
coefficient.
The ratio between the various extinction components
is highly site specific. In general it also varies seasonally.
The amount of dead cells not yet mineralized is, from
Equation 12.98, k(fpMkBk). Assuming some fraction ed
(usually between 0.2 and 0.4) of the extinction rate of
live cells,
KD ed Kk fpMkBk
(12.102)
If the total extinction is not within the range for an algae

type k, then its concentration Bk will be zero. To ensure
that Bk is 0 if the total extinction is outside of its extinction range, a 0, 1 binary (integer) unknown variable Zk
is needed for each algae type k. If Zk is 1, Bk can be any
non-negative value; if it is 0, Bk will be 0. This is modelled
by adding three linear constraints for each algae type k.
KL KD KW Kkmax KM (1 Zk)
(12.103)
KL KD KW
(12.104)
Kkmin (Zk)
Bk BMZk
(12.105)
where KM and BM are any large numbers no less than the

largest possible value of the total extinction or biomass
concentration, respectively. Since the objective of maximizing the sum of all Bk together with Equation 12.105 is
to set each Zk value equal to 1, it is only when the total
extinction is outside of the extinction range Kkmin to Kkmax
that the Zk value will be forced to 0. Equation 12.105 then
forces the corresponding Bk to 0.
5.9.4. Growth Limits
For all algae types k, the maximum potential biomass
concentration, Bkmax (g dry/m3), at the end of the time
interval t (days) depends on the initial biomass concentration, Bk, (g dry/m3); the maximum gross production
rate, Pgkmax (day1); the respiration rate constant,
Rk (day1); and a time and depth averaged production
efficiency factor, Ek. Mortality is not included in this
computation. Using the net production rate constant,
Pnk ( Pgkmax Ek Rk) (day1), for each algae type k:
Bkmax Bk0 exp{Pnkt}
(12.106)
This condition is taken into account by the optimization

algorithm. For types with an initial biomass of zero, a
small base level is used instead in order to allow
previously absent species to start growing.
5.9.5. Mortality Limits
As in the case of growth, the mortality of each algae
species is also constrained to prevent a complete removal
within a single time step. The minimum biomass value of
a species is obtained when there is no production, but
only mortality. The minimum biomass, Bkmin (g dry/m3), of
type k at the end of time interval t depends on the
initial biomass, Bk0 (g dry/m3), of type k and the specific
mortality rate constant, Mk (day1), of type k.
Bkmin Bk0Zk exp{ Mkt}
(12.107)
These maximum and minimum values are computed for

each individual algae type. However, the model sums each
of these maximum and minimum values over all subtypes
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within each species and applies it to the total biomass of

the species. This way the maximum possible mortality
cannot be exceeded, but transitions between limit types
remain possible.
k of species j
Bkmin
Bk
k of species j
Bkmax
species j
k of species j
(12.108)
As mortality is computed according to a negative
exponential function, the minimum biomass level is
always positive; in other words, a species can never
disappear completely. For computational purposes, the
minimum biomass of a species is set to zero if it drops
below some small threshold base level. It is conceivable
that the amount of biomass, which should minimally be
maintained according to Equation 12.108 exceeds the
amount permitted according to the available amount of
light energy (12.100). If this happens, Condition (12.100)
is dropped.
5.9.6. Oxygen-Related Processes
The oxygen concentration in the water column depends
in part on the biochemical and physical processes that
either produce or consume oxygen. For the algae
the model includes the production of oxygen (primary
production), and its consumption through respiration.
Oxygen is also consumed by the mineralization of
detritus and other organic material (in the water column
and bottom sediment), nitrification of ammonia to nitrate,
and exchange of oxygen with the atmosphere (e.g.
re-aeration).
The mineralization of carbon detritus in the water
column and bottom consumes oxygen at a molar ratio of
1:1, equivalent to a ratio of 32/12 g O2 to 1 g C. The net
growth of algae produces oxygen at a molar ratio of 1:1,
equivalent to a ratio of 32/12 g O2 to 1 g C. The mineralization of organic carbon in waste and carbon detritus
in the water column and bottom consumes oxygen
at a molar ratio of 1:1, equivalent to a ratio of 32/12 g
O2 to 1 g C. The nitrification reaction consumes oxygen
at a molar ratio of 2:1, equivalent to a ratio of 64/14 g
O2 to 1 g N. For all algae, oxygen is produced during
photosynthesis. The net growth of algae produces
oxygen at a molar ratio of 1:1, equivalent to a ratio of
32/12 g O2 to 1 g C.
415
Bottom Oxygen
The mineralization of organic material in the bottom
sediment consumes oxygen, which must be supplied
from the water column. The process consumes oxygen at
a molar ratio (oxygen to carbon) of 1:1, equivalent to a
ratio of 32/12 g O2 to 1 g C.
Daily Oxygen Cycle
Because oxygen is produced by the photosynthesis of
algae during the daylight hours, there is a natural variation of oxygen concentrations over the twenty-four-hour
daynight cycle. Typically, oxygen concentrations are
lowest in the early morning as oxygen is consumed
during the night through the processes of algae respiration and organic material mineralization. During the
daylight hours, oxygen is produced, and the highest
values (often supersaturated) are typically found in the
late afternoon. When biomasses are high, these variations
may be large enough to cause low oxygen conditions
during the night or in the early morning.
In the traditional BLOOM calculation, the water
quality processes are all calculated for a daily averaged
situation. This is reflected by the choice of the input
parameters for the light model: the daily averaged solar
radiation and the day length. Reducing the time step would
be the most straightforward way to include diurnal
variations. The drawback, however, is a considerable
increase in computation time. Thus an alternative approach
has been adopted in the model. The total daily rate of
primary production is computed first. Next, this production is distributed over the day. The model takes into
account the day length, and oxygen production begins in
the first daylight hour. Oxygen production increases during
the morning, levels off at a (user-defined) maximum value
for a period in the middle of the day, and decreases during
the afternoon. There is no oxygen production during the
night-time. The hourly oxygen production is combined
with the daily averaged oxygen consumption processes
and the re-aeration to produce an hourly value of oxygen
concentration in the water.
Maintenance Respiration
Respiration in algae is a process in which organic carbon
is oxidized, using oxygen to produce energy. The process
occurs throughout the day and results in oxygen
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consumption at a rate of 32 grams of oxygen per

12 grams of carbon: 32/12 g O2 to 1 g C. Total respiration
is divided into growth and maintenance respiration.
Maintenance respiration is a first-order temperature
dependent process. Species growth respiration is
accounted for when calculating the net primary production. Maintenance respiration, and thus the amount of
oxygen consumed, is governed by the temperaturedependent respiration rate constant, kkreskres(T20) (day1),
the temperature, T (C), of the water (higher respiration
at higher temperatures), and the concentration of algae
biomass, AlgCk. Each algae type can have a different
respiration rate. Hence, the rate (gC2/m
/day) at which
carbon in algae is oxidized is
dAlgCk /dt kkreskres(T20)AlgCk
(12.109)
6. Simulation Methods
Most of those who will be using water quality models will
be using simulation models that are commonly available
from governmental agencies (e.g. USEPA), universities, or
private consulting and research institutions such as
the Danish Hydraulics Institute, Wallingford software or
WL | Delft Hydraulics (Ambrose et al., 1996; Brown and
Barnwell, 1987; Cerco and Cole, 1995; DeMarchi et al.,
1999; Ivanov et al., 1996; Reichert, 1994; USEPA, 2001;
WL | Delft Hydraulics, 2003).
These simulation models are typically based on
numerical methods that incorporate a combination of
plug flow and continuously stirred reactor approaches
to pollutant transport. Users must divide streams, rivers,
and lakes and reservoirs into a series of well-mixed
segments or volume elements. A hydrological or hydrodynamic model calculates the flow of water between all
of these. In each simulation time step, plug flow enters
these segments or volume elements from upstream
segments or elements. Flow also exits from them to
downstream segments or elements. During this time
the constituents can decay or grow, as appropriate,
depending on the conditions in those segments or
volume elements. At the end of each time-step, the
volumes and their constituents within each segment or
element are fully mixed. The length of each segment
or the volume in each element reflects the extent of
dispersion in the system.
6.1. Numerical Accuracy

Water quality simulation models based on physical,
biological and chemical processes typically include time
rate of change terms such as dC/dt. While it is possible
to solve some of these differential equations analytically,
most water quality simulation models use numerical
methods. The purpose of this section is not to explain
how this can be done, but rather to point to some of the
restrictions placed on the modeller because of these
numerical methods.
Consider first the relationship between the stream,
river or lake segments and the duration of time steps, t.
The basic first-order decay flux, dC/dt (g/m3/day), for a
constituent concentration, C, that is dependent on a rate
constant, k (day1), is:
dC/dt kC
(12.110)
The finite difference approximation of this equation can

be written
C(t t) C(t) C(t)kt
(12.111)
or
C(t t) C(t)(1 kt)
(12.112)
This equation can be used to illustrate the restriction

placed on the term kt. That term cannot exceed a value
of 1 or else C(t t) will be negative.
Figure 12.25 is a plot of various values of
C(t t)/C(t) versus kt. This plot is compared with
the analytical solution resulting from the integration of
Equation 12.110, namely:
C(t t) C(t) exp{ kt}
(12.113)
Reducing the value of t will increase the accuracy of the

numerical solution. Hence, for whatever value of t, it
can be divided by a positive integer n to become 1/nth of
its original value. In this case the predicted concentration
C(t t) will equal
C(t t) C(t)(1 kt/n)n
(12.114)
For example if kt 1, and n 2, the final concentration ratio will equal

C(t t)/C(t) (1 1/2)2 0.25
(12.115)
Compare this 0.25 to 0.37, the exact solution, and to

0.0, the approximate solution when n is 1. Having n 2
brings a big improvement. If n 3, the concentration
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C (t)
C (t+t)
1.0
0.5
0.0
0.1
0.3
0.5
0.9
1.1
kt
- 0.5
E020801b
0.7
- 1.0
Figure 12.25. Plot of numerical approximation (red line)

based on Equation 12.112 compared to the true analytical
(blue line) value obtained from Equation 12.113.
ratio will be 0.30, an even greater improvement compared

to 0. However, no matter what value of n is selected,
the predicted concentration will always be less than the
actual value based on Equation 12.113, and hence the
error is cumulative. Whenever t n/k, the predicted
concentrations will alternate between positive and
negative values, either diverging, converging or just
repeating the cycle, depending on how much t exceeds
n/k. In any event, the predicted concentrations are not
very useful.
Letting m n/kt, Equation 12.114 can be
written as
C(t t) C(t)(1 1/m)m (kt)
(12.116)
As n approaches infinity, so does the variable m, and

hence the expression (1 1/m)m becomes the natural
logarithm base e 2.718282. Thus, as n approaches
infinity, Equation 12.114 becomes Equation 12.113, the
exact solution to Equation 12.110.
6.2. Traditional Approach

Most water quality simulation models simulate quality
over a consecutive series of discrete time periods. Time is
divided into discrete intervals and the flows are assumed
constant within each of those time period intervals. Each
water body is divided into segments or volume elements,
and these are considered to be in steady-state conditions
within each simulation time period. Advection or plug
flow (i.e. no mixing or dispersion) is assumed during each
time period. At the end of each period mixing occurs
417
within each segment or volume element to obtain the

concentrations in the segment or volume element at
the beginning of the next time step.
This method is illustrated in Figure 12.26. The indices
i1, i and i1 refer to stream or river reach segments.
The indices t and t1 refer to two successive time periods, respectively. At the beginning of time period t, each
segment is completely mixed. During the time interval t
of period t, the water quality model predicts the concentrations, assuming plug flow in the direction of flow from
segment i toward segment i 1. The time interval t is
such that the flow from any segment i does not pass
through any following segment i 1. Hence, at the end of
each time period each segment has some of the original
water that was there at the beginning of the period,
and its end-of-period concentrations of constituents, plus
some of the immediately upstream segments water and
its end-of-period concentrations of constituents. These
two volumes of water and their respective constituent
concentrations are then mixed to achieve a constant
concentration within the entire segment. This is done for
all segments in each time step. Included in this plug flow
and then mixing process are the inputs to the reach from
point and non-point sources of constituents.
In Figure 12.26 a mass of waste enters reach i at a rate
of Wit. The volume in each reach segment is denoted by V,
and the flows from one segment to the next are denoted
by Q. The drawing on the left represents a portion of a
stream or river divided into well-mixed segments. During
a period t, waste constituents enter segment i from the
immediate upstream reach i1 and from the point waste
source. In this illustration, the mass of each of these
wastes is assumed to decay during each time period,
independent of other wastes in the water. Depending on
the types of waste, the decay (or even growth) processes
that take place may be more complex than those assumed
in this illustration. At the end of each time period these
altered wastes are mixed together to create an average
concentration for the entire reach segment. This illustration applies for each reach segment i and for each time
period t.
The length, xi, of each completely mixed segment or
volume element depends on the extent of dispersion.
Reducing the length of each reach segment or size of each
volume element reduces the dispersion within the entire
stream or river. Reducing segment lengths, together with
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E020801d
418
8/31/2005
Figure 12.26. Water quality

modelling approach showing a
water system schematized into
computational cells.
concentration C in
t
i
segment i having volume V i
at beginning of time period t
concentration in segment i
after mixing at end of time period t
i-1
Wi
t+1
= {( C Q
+W ) t +
i
i-1 i-1, i
i
t
t+1
t )} exp (-k t ) / V
C it ( V - Qt
i
i, i+1
i
i+1
concentration in segment i
at end of time period t before mixing
t
+W ] t exp (-k t )
Q
i
i-1 t i-1 , ti
downstream: C [ V - Q
t ] exp (-k t )
i
i, i-1
i
upstream: [ C
t
increasing flow velocities, also reduces the allowable

duration of each time period t. The duration of each
simulation time step t must be such that flow from any
segment or element enters only the adjacent downstream segment or element during that time step. Stated
formally, the restriction is:
increase the computational times. Thus the balance

between computational speed and numerical accuracy
restricts the model efficiency in the traditional
approach to simulating water quality.
t Ti
6.3. Backtracking Approach
(12.117)
where Ti is the residence time in reach segment or volume

element i. For a 1-dimensional stream or river system
consisting of a series of segments i of length xi, cross
section area Ai and average flow Qit, the restriction is:
t min{xiAi/Qit;
i, t}
(12.118)
If time steps are chosen that violate this condition, then

numerical solutions will be in error. The restriction
defined by Equation 12.118 is often termed the
courant condition. It limits the maximum time-step
value. Since the flows being simulated are not always
known, this leads to the selection of very small time
steps, especially in water bodies having very little
dispersion. While smaller simulation time steps
increase the accuracy of the model output, they also
An alternative Lagrangian or backtracking approach to

water quality simulation eliminates the need to consider
the simulation time-step duration restriction indicated by
Equation 12.118 (Manson and Wallis, 2000; Yin, 2002).
The backtracking approach permits any simulation timestep duration to be used along with any segmenting
scheme. Unlike the traditional approach, water can travel
through any number of successive segments or volume
elements in each simulation time step.
This approach differs from the traditional one in that,
instead of following the water in a segment or volume
element downstream, the system tracks back upstream to
find the source concentrations of the contaminants at
time t that will be in the control volume or segment i 1
at the beginning of time period t 1.
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this requires computing the velocities through each of

the intermediate segments or volume elements. Second,
the changes in the amounts of the modelled quality
constituents, such as temperature, organics, nutrients and
toxics, are calculated, assuming plug flow during the
time interval, t, and using the appropriate differential
equations and numerical methods for solving them.
Finally, all the multiple incoming blocks of water
with their end-of-period constituent concentrations are
completely mixed in the segment i to obtain initial
concentrations in that segment for the next time step,
t1. This is done for each segment i in each time period
t, proceeding in the downstream direction.
If no dispersion is assumed, the backtracking process
can be simplified to consider only the end points of each
reach. Backtracking can take place to each end-of-reach
location whose time of travel to the point of interest is just
equal to or greater than t. Then, using interpolation
between end-of-period constituent concentrations at
those upstream sites, plus all loadings between those sites
and the downstream site of interest, the constituent
E020801g
The backtracking process works from upstream to

downstream. It starts from the segment of interest, i, and
finds all the upstream sources of contaminants that
flow into segment i during time period t. The contaminants could come from segments in the same river reach
or storage site, or from upstream river reaches or storage
volume segments. They could also come from incremental flows into upstream segments. Flows between the
source site and the segment i1 transport the contaminants from their source sites to segment i during the time
interval t, as shown in Figure 12.27.
The simulation process for each segment and for
each time period involves three steps. To compute the
concentration of each constituent in segment i at the end
of time period t, as shown in Figure 12.27, the approach
first backtracks upstream to locate all the contaminant
particles at the beginning of period t that will be in the
segment i at the end of period t. This is achieved by
finding the most upstream and downstream positions of
all reach intervals that will be at the corresponding
boundaries of segment i at the end of time period t. To do
419
t
1
C ,V
1
t
2
t
2
C ,V
incremental waste
load mass
t
t
C ,V
5
segment i
C
t t
C ,V
3 3
t t
C ,V
4 4
t+1
t
= C exp{ -k (Tij-20) t }
ij j
ij
j
Figure 12.27. The backtracking

approach for computing the
concentrations of constituents in
each reach segment or volume
element i during time-step
duration of t.
j = 1,2,3,4,5
after mixing:
C
t+1
t+1 t t+1
= C
V /V
i
j ij
j i
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concentrations at the end of the time period t at the

downstream ends of each reach can be computed. This
process, like the one involving fully mixed reach
segments, must take into account the possibility of
multiple paths from each pollutant source to the site of
interest, and the different values of rate constants,
temperatures and other water quality parameters in each
reach along those paths.
Figure 12.27 illustrates an example of backtracking
involving simple first-order decay processes. Assume
contaminants that end up in reach segment i at the
beginning of period t 1 come from J sources with initial
concentrations C1t , C2t , C3t , , C jt at the beginning of time
period t. Decay of mass from each source j during time
t in each segment or volume element is determined by
the following differential equation:
dCjt/dt kjj(T20)Cjt
(12.119)
The decay rate constant kj, temperature correction coefficient j and water temperature T are all temporally and
spatially varied variables. Their values depend on the
particular river reaches and storage volume sites through
which the water travels during the period t from sites j to
segment i.
Integrating Equation 12.119 yields:
Cjt1 Cjt exp{ kjj(T20)t}
(12.120)
Since t is the time it takes water having an initial

concentration Cjt to travel to reach i, the values Cjt1 can be
denoted as Cijt1:
Cijt1 Cjt exp{ kijj(T 20)t}
ij
(12.121)
In Equation 12.121 the values of the parameters are the

appropriate ones for the stream or river between the
source segments j and the destination segment i. These
concentrations times their respective volumes, Vjt, can
then be mixed together to define the initial concentration, Cit 1, in segment i at the beginning of the next
time period t 1.
6.4. Model Uncertainty

There are two significant sources of uncertainty in water
quality management models. One stems from incomplete
knowledge or lack of sufficient data to estimate the
probabilities of various events that might happen.
Sometimes it is difficult to even identify possible future

events. This type of uncertainty sometimes called
epistemic (Stewart, 2000) stems from our incomplete
conceptual understanding of the systems under study, by
models that are necessarily simplified representations
of the complexity of the natural and socio-economic
systems, as well as by limited data for testing hypotheses
and/or simulating the systems.
Limited conceptual understanding leads to parameter
uncertainty. For example, there is an ongoing debate
about the parameters that can best represent the fate
and transfer of pollutants through watersheds and water
bodies. Arguably, more complete data and more work on
model development can reduce this uncertainty. Thus, a
goal of water quality management should be to increase
the availability of data, improve their reliabilities and
advance our modelling capabilities.
However, even if it were possible to eliminate knowledge uncertainty, complete certainty in support of water
quality management decisions will probably never be
achieved until we can predict the variability of natural
processes. This type of uncertainty arises in systems
characterized by randomness. Assuming past observations are indicative of what might happen in the future
and with the same frequency in other words, assuming
stationary stochastic processes we can estimate from
these past observations the possible future events or
outcomes that could occur and their probabilities. Even if
we think we can estimate how likely any possible type of
event may be in the future, we cannot predict precisely
when or to what extent that event will occur.
For ecosystems, we cannot be certain we know even
what events may occur in the future, let alone their
probabilities. Ecosystems are open systems in which it is
not possible to know in advance what all the possible
biological outcomes will be. Surprises are not only
possible, but likely; hence, neither type of uncertainty
knowledge uncertainty nor unpredictable variability or
randomness can be eliminated.
Thus, uncertainty is a reality of water quantity and
quality management. This must be recognized when
considering the results of water quality management
models that relate to actions taken to meet the desired
water quality criteria and designated uses of water bodies.
Chapter 9 suggests some ways of characterizing this
uncertainty.
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7. Conclusions: Implementing a
Water Quality Management Policy
This chapter has provided only a brief introduction to
some of the relationships contained in water quality
models. As can be said for the other chapters as well, it
summarizes a subject on which entire texts, and very
good ones, have been written (see, for example, Chapra,
1997; McCutcheon, 1989; Orlob, 1983; Schnoor, 1996;
Thomann and Mueller, 1987). Water quality modelling
and management demand skill and data. Skill comes with
experience. Sufficient expertise will not be gained by
working just with the material introduced in this chapter.
It serves only as an introduction to surface water quality
models, their assumptions and their limitations.
If accompanied by field data and uncertainty analysis,
many existing models can be used to assist those responsible for developing water quality management plans in
an adaptive implementation or management framework.
Adaptive implementation or management will allow
for both model and data improvements over time. Such
approaches strive toward achieving water quality standards while relying on monitoring and experimentation
to reduce uncertainty. This is often the only way one can
proceed, given the complexity of the real world compared
to the predictive models and the data and time usually
available at the time a water quality analysis is needed.
Starting with simple analyses and iteratively expanding
data collection and modelling as the need arises is a
reasonable approach.
An adaptive management process begins with initial
actions that have reasonable chances of succeeding.
Future actions must be based on continued monitoring
of the water body to determine how it responds to the
actions taken. Plans for future regulation and public
spending should be subject to revision as stakeholders
learn more about how the system responds to actions
taken. Monitoring is an essential aspect of adaptive water
quality management and modelling (see Appendix B).
Regardless of what immediate actions are taken, there
may not be an immediate measurable response. For
example, there may be significant lags between the time
when actions are taken to reduce nutrient loads and
the resulting changes in nutrient concentrations. This is
especially likely if nutrients from past activities are tightly
421
bound to sediments or if nutrient-contaminated groundwater has a long residence time before its release to
surface water. For many reasons, lags between actions
taken and responses must be expected. Water bodies
should be monitored to establish whether the trajectories
of the measured water quality criteria point toward
attainment of the designated use.
Wasteload allocations will inevitably be required if
quality standards are not being met. These involve costs.
Different allocations will have different total costs and
different distributions of those costs; hence they will have
different perceived levels of fairness. A minimum-cost
policy may result in a cost distribution that places most of
the burden on just some of the stakeholders. But until
such a policy is identified, one will not know this. An
alternative may be to reduce loads from all sources by the
same proportion. Such a policy has prevailed in the
United States over the past several decades. Even though
not very cost-effective from the point of view of water
quality management, the ease of administration and the
fulfilment of other objectives must have made such a
policy politically acceptable, even though expensive.
However, these types of wasteload allocations policies will
not in themselves be sufficient for many of the ecosystem
restoration efforts that are increasingly being made.
Restoration activities are motivated in part by the services
ecosystems provide for water quality management.
Our abilities to include ecosystem components within
water quantity and quality management models are at a
fairly elementary level. Given the uncertainty, especially
with respect to the prediction of how ecosystems will
respond to water management actions, together with the
need to take actions now, long before we can improve
these capabilities, the popular call is for adaptive management. The trial and error aspects of adaptive management
based on monitoring and imperfect models may not satisfy
those who seek more definitive direction from water quality analysts and their predictive models. Stakeholders and
responsible agencies seeking assurances that the actions
taken will always work as predicted may be disappointed.
Even the best predictive capabilities of science cannot
ensure that an action that will lead to the attainment of
designated uses will be initially identified. Adaptive
management is the only reasonable option in most cases
for allowing water quality management programmes to
move forward in the face of considerable uncertainties.
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wrm_ch12.

12. Water Quality Modelling and Prediction

2. Establishing Ambient Water Quality Standards

3. Water Quality Model Use 379

5. An Algal Biomass Prediction Model 408

Phosphorus Cycle 410

6. Simulation Methods 416

12 Water Quality Modelling and Prediction

that the total pollutant loads discharged into receiving

Water Resources Systems Planning and Management

Pollutant loadings degrade water quality. High

pollutant loads, and to predict the effectiveness of actions

2. Establishing Ambient Water