Hydrodynamics and Transport For Water Quality Mode

HYDRODYNAMICS
and t r a n s p o r t
FOR
WATER QUALITY
MODELING
HYDRODYNAMICS
and t r a n s p o r t
FOR
WATER Q UALITY
MODELING
James L Martín
Steven C . McCutcheon
v/hh contributions by
Robert W Schottman
CRC Press
Taylor 8i Francis Group
Boca Raton London New York
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Project Editor: Sylvia Wood
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L ib ra ry of Congress Cataloging-in-Publlcation Data
Martin, James Lenial, 1947-

Hydrodynamics and transport for water quality modeling / authors.
James L. Martin, and Steve C. McCutcheon
p. cm.
Includes bibliographical references and index.
ISBN 0-87371-612-4
1. Water quality-Mathemadcal models. 2. Hydrodynamics
-Mathematical models. 3. Hydraulics-Matheirutical models.
I. McCutcheon, Steve C. II. Title.
TD370.M394 1998
627’.042-dc20 98-24297
CIP
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Intenuitional Standard Book Number 0-87371--612-4
Library of Congress Card Number 98-24297
To
Lenial B. and Essie M. Martin
and
Alexander, Bernard, and Rosa McCutcheon
In Memory of:
Donald }. O'Connor (1922-1997)
and Rizwanul Haque (1940-1998)

Authors
James Lenial Martin Ph.D., P.E.

James Martin is Vice President and Director of Engineering Services with AScI Corpora
tion, located in Athens, GA. He has B.S. degrees in Wildlife Science and Civil Engineering
from Texas A & M University, a Master's degree in Biology from Southwest Texas State
University, and a Ph.D. in Civil/Enviromnental Engineering from Texas A & M University.
He is a registered professional engineer in Florida, Georgia and Mississippi with more than
15 years' experience in water quality modeling. For five years he provided contract support
to the U.S. Environmental Protection Agency Center for Exposure Assessment Modeling
through model development, providing technical assistance to the EPA, state emd local
agencies, and through model application. Dr. Martin has authored/co-authored some 50
technical reports and publications, including EPA guidance documents on performing
estuarine wasteload allocation studies and model documentation. Previously, he con
ducted modeling studies while working at Large Lakes Research Station, Grosse Be, Mich
igan and as a member of the Water Quality Modeling Group with the U.S. Army Corps of
Engineers Waterways Experiment Station, Vicksburg, MS. He has been involved in the
development of a number of water quality models supported by the U.S. Envirorunental
Protection Agency and U.S. Army Corps of Engineers and their application to a wide vari
ety of sites.
Steven C. McCutcheon, Ph.D., P.E.

Steve McCutcheon is a hydrologist and environmental engineer. He is also a research envi
ronmental engineer with the U.S. EPA National Exposure Research Laboratory in Athens,
GA. He is an adjimct professor with the Wamell School of Forestry, a member of the grad
uate faculty, and affiliate of the Institute of Ecology at the University of Georgia. He has a
B.S. in Civil Engineering from Auburn University and an M.S. and Ph.D. in Civil Engineer
ing from Vanderbilt. Dr. McCutcheon is a registered professional engineer in Louisiana. He
was editor of the American Society of Civil Engineers (ASCE) Journal o f Environmental Engi
neering, has held 15 offices and committee assignments with ASCE, and serves on the edi
torial board of Ecological Engineering - The Journal o f Ecotechnology. In 1993, he won the EPA
Science Achievement Award for Chemistry (with others), and in 1995 for Waste Manage
ment (with others), in 1994 the Torrens Award as best editor in ASCE and in 1992 the Engi
neer of the Year Award in the EPA. Dr. McCutcheon authored the book W ater Q uality
M odeling, Vol. I, published by CRC Press, and more than 170 articles, papers and reports.
He was formerly with the U.S. Geological Survey at the Gulf Coast HydroScience Center
and has taught at Clemson University, Tulane, and Vanderbilt.
Acknowledgments
Like most writers, we wrote this book as a labor of love and devotion, in our Ccise, to the art
of water quality modeling. Each of us conducted the writing as an extramural or outside
activity from normal duties. We appreciate the encouragement of our immediate col
leagues and of our f2imilies, who tolerated the imposition on holiday trips, weekends, and
evenings with kindness and support. Lewis Publishers and CRC Press guided us through
the process and gave us motivation and timely support.
Our wider circle of colleagues provided motivation, information, and reviews. We par
ticularly acknowledge Steve Chapra of the University of Colorado at Boulder, Richard
French of the University of Nevada, Bob Ambrose and Tom Barnwell of the U.S. EPA
National Exposure Research Laboratory in Athens, Mark Dortch and Billy Johnson of the
U.S. Army Engineer Waterways Experiment Station, Bob Thomarm of Manhattan College,
and Don Harleman of MIT for their motivation over the years.
In the year after his death, we take special note of the influence of Don O'Connor on our
knowledge of the state of the art and on our spirits. Our citation of his work characterizes
his technical impact but not his motivation and leadership. Speaking at a National Science
Foundation meeting in 1977 and at VanderbUt in 1978 he inspired Steve McCutcheon to
first study water quality modeling. He was a mentor to Steve Chapra, who in turn moti
vated James Martin, and influenced James in the study of the Great Lakes. Don Connor's
cheerful and sharing discussions, penetrating reviews and critiques and irmovative solu
tions wove fvmdamental and practical concepts, and we sadly miss his leadership as a
teacher at Manhattan College, but his legacy {ASCE J. Environ. Engr. 1998.124(2)), will con
tinue to motivate those who desire to advance water quality modeling.
Bob Schottman, a consultant in Seattle, made substantial and notable improvements to
this book. He reviewed each chapter, added information, revised the text for clarity, com
mented on technical matters, and prepared lists and other materials. Bob's contribution
came at a critical time when motivation was lagging in this long and arduous imdertaking.
If not for his contribution, this book might not have been completed.
We also appreciate the assistance of Pei-Fang Wang with the U.S. Navy, Rochuan Gu of
Iowa State Uruversity, and Mansour Zakikhani of the U.S. Army Engineer Waterways
Experiment Station, who provided insightful review comments on the text and assisted in
filling a few gaps. Professor Mo Hendon of the University of Georgia Mathematics Depart
ment kindly integrated an equation to confirm accuracy. Wu-Seng Lung of the University
of Virginia provided an example, a review of the Lung and O'Cormor method, inspiring
discussions, and an early proof copy of his book Wafer Quality M odeling Vol. Ill: Applications
to Estuaries through CRC. John D. Wang of the Uruversity of Miami compiled some of his
work and reviewed sectiorrs on finite-element grids and his CAFEX model. Earl Hayter of
Clemson Uruversity advised on HSCTM and SED3D and publication of documentation, as
w ell as on applications of TRIM in Charleston Harbor. The South Carolina Water
Resources Research Institute headed by Earl Hayter, South Carolina Sea Grant headed by
Margaret Davidson, and the Department of Health and Envirorunental Control and Ches
ter Sandsbury supported Keith Elder, Matt Einsmarm, and Kent Lackey in graduate studies
at Clemson. They wrote theses under the guidance of Steve McCutcheon that were useful
in composing the sections on wetting and drying and model linkage in estuaries. Walter
Wrmderlich, formerly of TVA, made available drafts and much appreciated reports on the
rigorous use of the System International units and heat transfer. We particularly appreciate
the use of tables of conversion factors from the McGraw-Hill Handbook o f Hydrology, so care
fully and insightfully prepared by editor David Maidment of the University of Texas. Peter
Smith of the U.S. Geological Survey and the University of California at Davis provided his
dissertation and several citations that had a remarkable impact on our organization of
Chapter 15. John Edinger of Edinger and Associates, Ray Walton of WEST Consultants,
Alan Blumberg of HydroQual Inc., T.S. Wu of the Florida Department of Environmental
Protection, David Chen of the Chinese University of Hong Kong, and Edward Thackston
of Vanderbilt University provided publications and insightful discussions. Peter Sheng of
the University of Florida, the U.S. Army Hydrologic Engineering Center, and others con
firmed facts at critical times. The work is, however, our own, for which we have the ulti
mate responsibility.
James L. Martin and Steven C. McCutcheon

Athens, GA
Preface
This book deals with the integration of two modem fields of study, environmental hydrau
lics and water quality modeling. Both of these fields, while deeply rooted in science and
engineering, have only recently evolved into distinct fields of study. Modem water quality
modeling originated only 70 years ago with the seminal 1925 studies by Victor Streeter and
Earl Phelps, who were the first to develop analytical models for biochemical oxygen
demand and dissolved oxygen in the Ohio River.
Water queility modeling deals with the development and application of models integrat
ing our present imderstanding of the transport and transformations of materials to predict
the fate of those materials in the natural environment. Water quality modelers constmct
and apply models that incorporate our present knowledge to test hypotheses, predict the
effect of some action, or solve a practical problem. That is also essentially the definition of
engineering. However, what makes water quality modeling both challenging and interest
ing is the diversity of knowledge that must be incorporated. This is because the processes
affecting water quality (biological, chemical, and physical) are diverse.
The prediction of water motion and the transport of materials impacting the quality of
water have long been recognized as cmcial components of any water quality modeling
study. In early applications, flow and transport were typically measured and described
rather than predicted. Some of the useful methods to describe transport are presented in
this book. Only in recent decades has the engineering application of hydrodynamic prin
ciples to predict transport become practical, due in large part to the advent of modem com
puters. The now-common practice of the engineering application of hydrodynamics in the
prediction of the fate and transport of materiids affecting water quality has resulted in the
emergence of the field of environmental hydraulics. Environmental hydraulics is the pri
mary focus of this book.
A nvimber of excellent textbooks are available on water quality modeling and are cited
throughout this text. A relatively large number of excellent books on hydraulics are cited
that emphasize hydraulics and hydrodynamics for engineering applications such as chan
nel design or flood evaluation, rather than for water quality. Books available on environ
mental hydraulics emphasize near-held jet mixing, which is not covered in this book. This
book emphasizes methods for the prediction of transport applicable to far-held condihons
in surface waters.
The purpose of this text is to provide an overview of the basic hydrauhc principles for
applicahons in surface water quality modeling. Prachcing professionctls and students who
do not have extensive training in huid dynamics will find this a useful introduction and
guide to prachcal applicahons. The book is intended to support instmchon in environmen
tal hydraulics, environmental fate and transport in surface waters, and water quahty mod
eling. The book is based on the authors' many years of combined experience. As such, the
book should also serve as a valuable reference for prachcing professionals.
The book is divided into four parts. Part I introduces the basic principles of momentum,
mass, and heat transport. Fimdamental techniques for how and dye transport and mea
surement round out this sechon. Parts n, HI, and IV concentrate on the theory and prachce
of environmental hydraulics for streams and rivers, lakes and reservoirs, and estuaries and
coastal areas, respectively. With the basics from Part I, any of these three parts supports an
in-depth course of study covering fundamenteds of mixing and transport in these water
body types. Problems and case studies illustrate the use of the techniques.
James L. Martin and Steven C. McCutcheon

Table of Contents
Part I
Fundamentals
Fundamental Relationships for Flow and Transport

I. Mechanistic Versus Empirical Modeling ............•...•......••..•.•.....•......•........................•••.•....7
II. General Principles
A.
·······································································"········································.8
Laws of Conservation .........•......•..•.................•...•...•.•....•..•.......................•...•.....•...•..&
B. Extrinsic Versus Intrinsic Properties .......................................................................•9
C Net Accumulation: Application of the Laws of Conservation ........................... 10
D. Control Volumes .........................................................•..................................•.....•..•.12
ill. Physical Properties of Water ............................•.•....•.•.......•....•...•..•..•.••..•.....•...............•......13
A. Density and Specific Weight •......•...........................................................................13
B. Compressibility •..........................................................•.•.............•........................•...•15
C. Newtonian Fluids and Molecular VIScosity ................•..•.....................................16
D. Molecular Diffusivity ....•.••.......••..............•.•.............................................................19
IV. Instantaneous Equations for Fluid Flow and Transport .................................................23
A. Fundamental Form of the Conservation Equations ............................................23
B. Instantaneous Equation for Continuity of Water .................................................27
C. Instantaneous Equations for the Conservation of Momentum ........................28
D. Instantaneous Equations for the Conservation of Constituent
Mass or Thermal Energy .......................................................•..............................•..29
V. Reynolds Trme-Averaged Mean Flow and Transport Equations ..................................30
A. Turbulent Motion......................................................................................................31
B. Statistical Relationships .....................................................•.....................................33
C. Turbulence Closure ..................................................................•.............................•.38
VI. Model Complexity: Selection and Development .............................................................44
A. Model Resolution .......................................................•........................................•....47
1. Scales of Interest .................................................................................•......49
2. Trme Variation ............................................................................................53
3. Spatial Dimensions for Solving the Governing Equations ..................SS
4. Methods to Simulate the Water Surface .................................................56
5. Turbulence Parameterization...................................................................SS
6. Forcing Functions or Sources and Sinks ................................................60
a. Water Mass .........................................................................................60
b. Momentum .........................................................................................61
c. Constituent Mass ......................................................................•......•.62
B. Solution Techniques .................................................................................................66
1. Analytical Solutions .••.............................•..............................................•..67
2. Numerical Solution Techniques ..........................................................•...67
Vll. Data Requirements ..........................................•.....•..............................................................74
A. Boundary Conditions ...............................................................................................74
B. Initial Conditions ......................................................................................................75
C. Data for Model Application and Evaluation ........................................................''n
1. Statistical Tests of Paired Observations and Simulations ....................SO
2. Sensitivity Analysis ········-···......................................................................87
3. Error Analysis ............................................................................................88
D. Data for Evaluation of Environmental Control... .................................................88
VIII . Definitions .......................................................................................................................- •.•.89
IX. Dimensionless Numbers ••.....••••.............•..........................•••...•..............•.•.•••....•..•......••••••.•90
Measurement and Analysis of Flow

I. lntroduction ...........................................................................................................................93
II. Measurement of Velocity and Flow ................................................................................... 94
A. Float Methods ······························-·····································································-····94
B. Current Meters ...........................................................- •.•...........•....•.........•...•..•...••.••97
1. Mechanical Current Meters......................................................................98
2. Acoustic Current Measurement .........................................................•..100
3. Electromagnetic Current Measurement ...............................•...............103
4. Deployment of Current Meters .............................................................105
C. Flow Measurement at Control Structures ..................................•••.••...................107
D. Remote Sensing....................................................................................................... 1()9
III. Measurement of Stage..................- .•.•..•.•..•..•.•......•..........................•...•..•.........................•109
IV. Computation of Discharge ................................................................................................ 111
V. Tracer Studies ...................................................................................................................... 114
A. Measurement of Fluorescent Dyes ••..•...••.•.•.•.•...- .........•...•.•..•...••...................•..• 115
B. Properties of Fluorescent Dyes ............................................................................ 118
1. Temperature Effects..•...........•...........•...................................•.............•..•. 118
2. Background Interference ........................................................................ 119
3. Sorption.........._ ........................................................................................... 119
4. pH Effects ...................•••..•.•.••.................................•....•.•..........................120
5. Photodegradation ....................................................................................120
6. Chemical Reactions and Quenching ..........................•.......................... 120
7. Density Effects ......................................................................................... 121
8. Toxicity ...•..•...•.•...............•....•....•...........•..........................•.••.•...................121
C. Types of Dye Studies.•••.•.....•........•...............•..........•.•............................................121
1. Instantaneous Release ...•.........................................................................121
2. Continuous Release .......................•.........•.•............................................•124
D. Planning Dye Studies.............................................................................................131
1. Estimating Mean Velocities ............................................••......................131
2. Mixing Considerations ••••........................................••..••••........•..............131
3. Estimating the Quantity of Dye Releases.............................................132
4. Determining Locations of Sampling Stations ...................................... 132
VI. Estimating Design Flows ............................••.......................................•.............................133
A. Design Conditions for Dynamic Flows ...............................................................135
B. Design Conditions for Steady Flows .......•..•.•.••.•.•.•..•....•.......................•...........•.135
1. Extreme-Value-Based Design Flows .....................................................138
a. Distribution-Free Method ....................................................138
b. Known or Estimated Probability Distribution ..................143
2. Biologically Based Design Flows ..........................................................147
References .....................................................................................................................................151
Symbols Used in Part I ...............................................................................................................159
Problems .......................................................................................................................................171
Appendixes
I.A Physical Properties of Water .............................................................................................180
I.B Unit Conversion Factors .................................................................................................... 182
I.C Values of Frequency Factor K for Use in the Log Pearson Type III Distribution
for Low-Flow Analyses......................................................................................................191
I.D Values of Frequency Factor K for Use in the Log Pearson 'l}'pe III Distribution
for High-Flow Analyses.....................................................................................................192
I.E Standard Variant z, Associated with Typical Return Intervals .................................... 193
Part II
Rivers and Streams
Flow Models for Rivers and Streams

I. Introduction......................................................................................................................... 199
II. Flow Model Complexity ....................................................................................................200
A. Spatial and Temporal Resolution .........................................................................201
B. Complexity of Governing Equations ...................................................................202
III. Data Requirements .............................................................................................................204
A. Boundary Conditions .............................................................................................205
B. Channel Geometry .................................................................................................206
C. Bottom Roughness .................................................................................................209
D. Model Calibration and Evaluation ......................................................................210
IV. Estimating Mixing in Streams and Rivers ...................................................................... 211
A. Methods Based on Shear Stresses ........................................................................213
B. Methods Based on Tracer Studies ........................................................................215
C. Estimating Mixing Lengths ...................................................................................219
Non-Hydraulic Methods for Flow Estimation

I. Flow Relationships .............................................................................................................221
II. Hydrologic Routing Methods ...........................................................................................222
A. Empirical Techniques .............................................................................................222
B. Hydrographic Theory ............................................................................................223
C. Hydrographic Relationships .................................................................................226
D. Methods Based on Continuity ..............................................................................229
Hydraulic Methods for Steady Flows

I. Steady, Uniform Flows.......................................................................................................'137
A. The Chezy Equation ...............................................................................................238
B. The Manning Equation ...............•.....................................................................•....'139
C. Simulating Frictional Resistance Using the Manning Equation ......................246
II. Hydraulic Methods for Steady, Nonuniform Flows......................................................248
A. Bernoulli Energy Equation Modified for Friction Losses .................................248
B. Classification of Flow Regimes .............................................................................249
1. Normal and Critical Flow Conditions ..................................................249
2. Froude Number .......................................................................................252
3. Hydraulic Jump ............•.....•....................................................................253
4. Classification of Water Surface Profiles ................................................254
C. Energy Losses and Momentum Corrections ......................................................255
1. Friction Losses in Steady, Nonuniform Flow ......................................255
2. Minor Losses ............................................................................................256
3. Kinetic Energy Corrections ....................................................................257
D. Application of Nonuniform Flow Concepts .......................................................258
1. The Step Method .....................................................................................258
2. Iterative Solution ........................•..................•.........................................261
Hydraulic Methods for Unsteady Flows

I. Introduction.........................................................................................................................267
II. Solution Techniques ............................................................................................•..............268
A. Method of Characteristics ............................•..............................................•.........268
B. Finite-Difference Methods .....................................................................................269
C. Finite-Element Methods ........................................................................................274
D. Numerical Properties ..................•..•.....................•......•..•.......................................274
E. Boundary and Initial Conditions .....................................................•...................276
ill. Unsteady-Flow Methods .................•.......•••....................................................................•••277
Iv. Kinematic-Wave Model ........•.........•.......- ..•...............................................•...................278
A. Exact Solution ............................•.•....•...................................................................•.280
B. Numerical Solution: Backward Finite-Difference Approach ...........................283
Solutions of Complete Unsteady Flow Models

I. Explicit Solution of a Link-Node Model ...............................................................................289
A. Description of the Method ....................................................................................289
B. Solution Technique •••.•...••...•..•................................•.....•....•.......................•............291
C. Example Applications .•...............•..........................................................................293
D. Linkage with Water Quality Models ...................................................................299
II. Implicit Solution Using the Four-Point Method ....•.....•.................................................301
A. Numerical Scheme ...............•...............................................•....•.......................•..•.301
B. Solution Technique .................................................................................................304
C. Examples of Implicit Models .......................................•........................................308
D. Linkage with Water Quality Models ...................................................................310
References .............•..............................................................•..........•.......•.•.••....•.......................••..315
Symbols Used in Part II ..............................................................................................................319
Problems ..............................................•.............................................•.•..•.•......•....................•.••••.•325
Part III
Lakes and Reservoirs
Stratification and Heat Transfer in Lakes and Reserooirs

I. Introduction to Lakes and Reservoirs ............................................................. 335
II. Origin and Characteristics of Lakes and Reservoirs ...................................... 336
A. Origin of Lakes ............................................................................................ 336
B. Size and Number ........................................................................................ 337
C. Water Use and Reservoir Purpose ............................................................. 338
D. Important Lentic Zones and Shoreline Conditions ................................... 342
E. Hydraulic Retention Time .......................................................................... 343
III. Stratification in Lakes and Reservoirs ............................................................. 343
A. Stratification Cycle ...................................................................................... 344
B. Classification of Lakes and Reservoirs Based on Stratification ................ 347
C. Stratification Potential ................................................................................ 348
IV. Temperature Simulation ................................................................................... 349
A. Full Heat Balance ........................................................................................ 350
1. Short-Wave Radiation ............................................................................ 350
2. Long-Wave Radiation............................................................................. 360
3. Back Radiation from Lakes and Reservoirs .......................................... 361
4. Evaporation ............................................................................................ 362
5. Conduction and Convection .................................................................. 365
B. Beer's Law and the Solar Radiation Penetration ...................................... 367
C. Equilibrium Temperature Method ............................................................. 370
1. Use of Equilibrium Temperature to Solve for the Heat Flux ............... 372
2. Coefficient of Heat Exchange ................................................................ 374
3. Other Methods ....................................................................................... 376
D. Data Requirements ...................................•...............••....••.......................•.•. 377
V. Ice Formation and Cover .................................................................................. 379
A. Ice Formation .............................................................................................. 381
B. Light Penetration Through Ice and Snow .................................................. 381
C. Thickening of the Ice Cover ....................................................................... 382
D. Lake Ice Decay ............................................................................................ 383
9
9
Mixing in Lakes and Reservoirs

I. Introduction..........•..............................................................................................................385
n. Inflow Mixing Processes ....................................................................................................387
A. Characteristics of Inflow Mixing ..........................................................................388
B. Analysis of Inflows.................................................................................................390
1. Plunge or Separation Point ....................................................................391
2. Thickness and Width of Overflow ........................................................396
3. Underflow Mixing ...................................................................................396
4. Interflows ..................................................................................................399
ill. Outflow Mixing Processes.................................................................................................403
A. Characteristics of Outflow Mixing Processes .....................................................403
B. Analysis of Outflow Processes .............................................................................404
IY. Mixing by Wind, Waves, Convective Cooling, and Coriolis Forces ...........................412
A. Progressive Surface Waves ....................................................................................413
B. Langmuir Circulation ...........................................................................................417
C. Convective Mixing .................................................................................................418
D. Internal Waves, Seiches and Upwelling ..............................................................418
E. Earth's Rotation-the Coriolis Force ...................................................................426
V. Reservoir Management and Mixing Processes ..............................................................427
10
Water Balances and Multidimensional Models

I. lntroduction.........................................................................................................................431
ll. Water Balance for Lakes and Reservoirs .........................................................................432
A. Components of the Water Balance .......................................................................433
1. Storage.......................................................................................................433
2. Inflow and Outflow Measurements ......................................................436
3. Direct Precipitation onto the Lake Surface ..........................................437
4. Evaporation ..............................................................................................438
5. Groundwater Seepage and Infiltration ................................................444
B. Reservoir Routing Methods ..................................- ..............................................446
ill. Zero-Dimensional or Box Models of Lake and Reservoir Quality ..............................449
IV. One-Dimensional, Longitudinal Models of Lakes and Reservoirs .............................453
V. One-Dimensional, Vertical Models of Lakes and Reservoirs .......................................455
A. Mixed Layer Models ..............................................................................................456
B. Vertical Turbulent Diffusion Models ...................................................................464
1. Empirical Expressions.............................................................................464
2. Dye or Tracer Studies to Determine Vertical Mixing..........................471
VI. Two-Dimensional (Laterally Averaged) Models ............................................................474
A. Box Model Approach .............................................................................................475
B. Hydrodynamic and Mass Transport Models .....................................................480
VII. Two-Dimensional Depth Averaged Models ...................................................................486
vm. Three-Dimensional Models...............................................................................................488
References .....................................................................................................................................491
Symbols Used in Part m.............................................................................................................501
Problems .......................................................................................................................................507
Part IV
Estuaries
11
Introduction to Estuaries
I. Introduction.........................................................................................................................527
II. General Characteristics of Estuaries ................................................................................527
A. Chemical Characteristics .......................................................................................528
B. Density .....................................................................................................................529
C. Tides and the Salt-Wedge Estuary .......................................................................530
ill. Classification Schemes .......................................................................................................534
A. Geomorphology ..................................................................................................... .534
B. Degree of Stratification ..........................................................................................535
12
Factors Affecting Transport and Mixing in Estuaries

I. Introduction .........................................................................................................................543
II. Tides .....................................................................................................................................543
A. Tidal Amplitudes ....................................................................................................544
B. Tidal Currents .........................................................................................................553
III. The Coriolis Force .............................................................................................................. .556
IY. Freshwater Inflow ..............................................................................................................558
V. Meteorological Effects ........................................................................................................559
VI. Bathymetry ..........................................................................................................................561
VII. Model Complexity..............................................................................................................562
A. Spatial and Temporal Resolution .........................................................................563
1. Spatial Resolution ....................................................................................564
2. Temporal Resolution ...............................................................................566
B. Complexity of Governing Equations ...................................................................568
13
Turbulent Mixing and Dispersion in Estuaries

I. Eddy Viscosity and Eddy Diffusivity ..............................................................................569
A. Formulation of Coefficients ................................................................................. 570
B. The Closure Problem..............................................................................................512
1. Zero-Equation Closure ...........................................................................512
2. One-Equation Closure ............................................................................57.3
3. Two-Equation Closure ............................................................................57.3
4. Turbulent Stress and Flux Equation Oosure ...................................-.574
ll. Dispersion in Estuaries .......................................................................................................S75
ill. Estimation of Mixing Tenns..............................................................................................576
A. Eddy VlSCosity and Eddy Diffusivity ..................................................................576
B. 'Dispersim...................................................................- .........................................•.586
14
Tidally Averaged Estuarine Models

I. Introduction.........................................................................................................................593
II. Fraction of Freshwater Method ....................................................................................._.599
m. Modified Tidal Prism Method ..........................................................................................601
IY. Pritchard's Method.............................................................................................................604
V. Lung and O'Connor's Method .........................................................................................609
VI. Computing Tidal Transport from Measured or Predicted Velocities ..........................616
A. Computing Tidally Averaged Advection and Dispersion ................................616
1. Computing Tidally Averaged Advection .............................................618
2. Computing Tidally Averaged Dispersion ............................................619
3. Numerical Diffusion ...............................................................................628
B. Spatial Averaging of Fine Scale Intra tidal Simulations .....................................628
C. The Lagrangian Transport Equation....................................................................629
D. Computing the Stokes Drift ..................................................................................634:
E. A Final Note on Tidal Averaging..........................................................................640
15
Dynamic Modeling Of Estuaries

L In.troducti.on.....................................................................................................................................~
II. Factors That Distinguish Modeling Approaches ...........................................................645
A. Forces and Boundary Conditions.........................................................................646
1. Riverine Boundary Conditions............................................................-646
2. Open Water Boundary Conditions .......................................................646
3. Forces Due to the Coriolis Effect, Atmospheric Pressure,
Barotropic Setup, and Baroclinic Pressure ...........................................647
4. Water Surface Conditions .......................................................................649
5. Bottom Boundary Conditions ................................................................650
6. Shoreline Conditions...............................................................................653
B. Dimensionality........................................................................................................655
C. Grid Structure ......- ......................._........................................................................655
1. Horizontal Finite Difference Grids .......................................................656
a. Rectangular Grids with Fixed-Grid Spacing .....................656
b. Stretched Rectangular Grids ................................................656
c. Curvilinear Boundary-Fitted Coordinate Systems...........658
d. Adaptive Grids ......................................................................662
2. Vertical Coordinate Systems ..................................................................663
a. Cartesian Vertical Coordinate..............................................663
b. Stretched Grid ..............•..•........••.......•...................•......•.........664
c. Isopycnic Coordinate System ..............................................665
3. Finite Element Grids ...............................................................................666
D. Numerical Solution Scheme..................................................................................666
ill. One-Dimensional Models Of Estuaries ...........................................................................668
A. Examples of Available Models .............................................................................671
1. Branch-Network Flow Model ................................................................671
2. CE-QUAL-RIV1 .......................................................................................612
3. Dynamic Estuary Model (DEM) ............................................................612
4. EXPLORE-1 ..............................................................................................673
5. MIT Transient Water Quality Network Model....................................673
B. Case Study ...............................................................................................................674
N. Two-Dimensional (Horizontal Plane) Models ...............................................................678
1. TABS-MD and RMA2-WES....................................................................681
2. WIFM-SAL................................................................................................682
3. HSCTM-20 ...............................................................................................683
4. FESWMS-2DH .........................................................................................683
5. Tidal, Residual, Intertidal Mudflat Model ...........................................684
6. SIMSYS2D or SWIFT2D..........................................................................685
7. CAFEX.......................................................................................................686
B. H.S. Chen's Model...................................................................................687
9. PETRA, Sediment-Contaminant Transport Model .............................687
10. NELEUS ....................................................................................................688
11. SEDZL .......................................................................................................688
12. Other Models ...........................................................................................689
B. Case Study ...............................................................................................................689
V. Two-Dimensional (Vertical Plane) Models .....................................................................690
1. CE-QUAL-W2 ..........................................................................................694
2. Blumberg's Model ...................................................................................695
B. Case Study ...............................................................................................................695
VI. Three-Dimensional Models...............................................................................................701
1. CH3D/CH3D-WES .................................................................................709
2. EHSM3D ...................................................................................................709
3. John Paul's Hydrodynamic Model .......................................................709
4. ECOM-30/POM .....................................................................................709
5. Model for Estuarine and Coastal Circulation and
Assessment (MECCA) ............................................................................710
6. EFDC/HEM3D ........................................................................................710
7. HOTDIM ................................................................................................... 711
8. RMA Models ................................................,........................................... 711
9. TEMPEST.................................................................................................. 711
B. Case Study ............................................................................................................... 711
Vll. Coupling Flow and Water Quality Models ....................................................................718
A. Directly Linked Models .........................................................................................718
B. Indirect Lin.kage ....•......•......•.....•.........•...................•.•......................•......................719
References .......................................................................................................................................721
Symbols Used in Part IV.............................................................................................................741
Problems .......................................................................................................................................763
Appendixes
IV.A. Node Factors(/;) at the Middle of Each Calendar Year (1990-2029) ...........................772
IV. B. Equilibrium Argument (Vo + ao) for the Greenwich Meridian at the
Beginning of Each Calendar Year (1990-2029) ....................•...........................................776
lndex ..............................................................................................................................................781
Part I
Fundamentals
Part I
Fundamentals
CONTENTS
Fundamental Relationships fo r Flow and Transport
I. Mechamstic Versus Empirical M odeling................................................................................ 7

II. General Principles........................................................................................................................ 8
A. Laws of Conservation.............................................................................................
B. Extrinsic Versus Intrinsic Properties____ .................... ............................................ .9
C Net Accumulation: Application of the Laws of Conservation..............................10
D. Control Volumes............................................................................... 12
in. Physical Properties of Water............ .......................................................................................13
A. Density and Specific Weight.................................................................. ....13
B. Compressibility................................................... 15
C. Newtorüan Fluids and Molecular Ifiscosity............................................................ 16
D. Molecular Diffusivity.................................................................................................... 19
IV. Instantaneous Equatioirs for Fluid Flow and Trar\sport....................................................23
A. Fundamental Form of the Conservation Equations.............................................. 23
B. Instantaneous Equation for Continuity of Water................................................... 27
C. Instantaneous Equations for the Conservation of M omentum.........................28
D. Instantaneous Equatior« for the Conservation of Constituent
Mass or Thermal Energy................................................... ..........................................29
V. Reynolds Time-Averaged Mean Flow and Transport Equations................................... 30
A. Turbulent Motion.......................................................................................................... .31
B. Statistical Relationships.............. 33
C. Turbulence Closure....................................................................................................... 38
VI. Model Complexity: Selection and Development........................... ...........44
A. Model Resolution............................................................................................................47
1. Scales of Interest.............................................................................................49
2. Tune Variation................................................................................................. 53
3. Spatial Dimensions for Solving the Governing Equations.................. 55
4. Methods to Simulate the Water Surface....................................................56
5. Turbulence Parameterization...................................................................... 58
6. Forcing Functions or Sources and Sinks...................................................60
a. Water M ass..............................................................................................60
b. Momentum..............................................................................................61
c. Constituent M ass.................................................................................. .62
4 Hydrodynamics and Transportfo r Water Quality M odeling
B.Solution Techniques............... .66

1. Analytical Solutions..................................................................................... .67
2. Numerical Solution Techniques................................................................ .67
Vn. Data Requiiements....................................................................................................................74
A. Boundary Conditions.................................................................................................... 74
B. Initial Conditirais............................................................................................................75
C. Data for Model Application and Evaluation...........................................................77
1. Statistical Tests of Paired Observations and Simulations.................... .80
2. Sensitivity Analysis.......................................— ...................._________ JS7
3. Error Analysis-------- ...........------------------------------ ........------- --------- .88
D. Data for Evaluation of Environmentcil Control.......................................................88
Vm . Definitions...................................................................................................................................89
DC. Dimensionless Numbers......................................................................................................... 90
Measurement and Analysis o f Flow
I. Introduction...----------------- --------------- ....----------------------------------.....-------------------.93

n. Measurement of Velocity and Flow ............----.....---------------...— .......____________ 94
A. Float M ethods....................................................................... ......94
B. Current Meters..................................................................................... 97
1. Mechanical Current Meters..........................................................................98
2. Acoustic Cxment Measurement............................................................... 100
3. Electromagnetic Current Measurement................................................. 103
4. Deployment of Current M eters................................................................ 105
C. Flow Measurement at Control Structures.............................................................. 107
D. Remote Sensing.............................................................................................................109
HI. Measurement of Stage.....----------.........................—....------...—.....................______.....109
rv. Computation of Discharge.....................................................................................................I l l
V. Tracer Studies.............................................................................................................................114
A. Measurement of Fluorescent Dyes.......................................................................... 115
B. Properties of Fluorescent Dyes................................................................................ 118
1. Temperature Efiects......................................................................................118
2. Backgroimd Interference............................................................................ 119
3. Sorption...........................................................................................................119
4. pH Effects...................................................................................................... 120
5. Photodegradation........................................................................................ 120
6. Chemical Reactions and Quenching........................................................120
7. Density Effects.................._____________________ ......___________ 121
8. Toxicity................................_______ ______ _________ ........._______ ..121
C. Types of Dye Studies................................................................................ 121
1. Instantaneous Release................................................................................. 121
2. Continuous Release..................................................................................... 124
D. Planning Dye Studies.................................................................................................. 131
1. Estimating Mean Velocities........................................................................ 131
2. Mixing Considerations............................................................................... 131
3. Estimating the Quantity of Dye Releases............................................... 132
4. Determining Locations of Sampling Stations........................................132
Fundamentals
VI. Estimating Design Flows....................................................................................................... 133

A. Design Conditions for Dynamic Flows.................................................................. 135
B. Design Conditions for Steady Flows.......................................................................135
1. Extreme-Value-Based Design Flows.......................................................138
a. Distribution-Free M ethod.......................................................138
b. Known or Estimated Probability Distribution...................143
2. Biologically Based Design Flow s............................................................ 147
References.............................................................................................................................................151
Symbols Used in Part 1 ..................................................................................................................... 159
Problems...............................................................................................................................................171
Appendixes
LA Physical Properties of Water................................................................................................. 180
LB Unit Conversion Factors.........................................................................................................182
I.C Values of Frequency Factor K for Use in the Log Pearson Type III Distribution
for Low-Flow Aiuilyses............................................................................................................191
I.D Values of Frequency Factor K for Use in the Log Pearson Type III Distribution
for High-Flow Analyses...........................................................................................................192
I.EStandard Variant Associated with Typical Return Intervalsl93
1
Fundamental Relationships for Flow and Transport
I. M echanistic Versus Em pirical M odeling

Water flow is a fundamental mechaiusm that controls a significant amoimt of the variabil
ity of water quality in streams, lakes, and estuaries (McCutcheon 1989). Any fundamental
study of water quality, including modeling investigations, requires knowledge of the path
way, volume, and velocity of the water. In practical terms, the first step in any water quality
modeling study is to determine "where the water goes" and how water movement affects
the concentrations of dissolved and suspended materials. Equally important is the history
of water movement, which provides a hint of how to trace contaminants back to various
soirrces. Relating contaminants to sources is an integral paurt of establishing cau se-an d -^ ct
relationships between sources of impurities, and the effects on water quality. Establishing
what controls water quality is one of the most powerful uses of models, and flow models
are important for that reason alone.
To predict water movement and water quality, most modem mathematical models incor
porate the imderlying mechanisms that cause change. Incorporation of the sum of our
knowledge about aquatic process makes it possible to establish cause-and-effect relation
ships. These relationships are useful to test h5q>otheses about a particular aquatic system
or process, aid in the diagnosis of factors contributing to particular water quality problems,
and forecast the impact of various environmental controls.
When the imderlying cause-and-effect relationships are expressed mathematically, these
models are termed mechanistic (Chapra and Reckhow 1983). By contrast, em pirical models,
such as many statistical models, allow description of the relationships with a minimum of
understanding about how the system works.
Although a distinction between empirical models and modem mechanistic models is
useful, it must not be assiuned that present-day models do not contain empirical relation
ships. Although modem water q u ^ ty models are based on the conservation principle,
many semi-empirical relationships, found to describe processes in widely diverse settings
accurately, are used as well, such as Pick's first law of diffusion and Beer's law of light pen
etration. Many empirical relationships are also involved in water quality models for con
venience in solving equations or simply because of a lack of understanding of all the
processes affecting water movement and water quality. The impact of empirical relation
ships should always be gauged by sensitivity analysis (e.g., see Lung 1993) or probabilistic
approaches (e.g., Monte Carlo analysis, Reckhow and Chapra 1983b), in investigations
involving significant risk to human and ecological health, or when expensive decisions are
involved.
Mechanistic water quality models have three chief advantages:
Hydrodynamics and Transport fo r Water Quality M odeling
Modeling allows scientists and engineers to gain insights and increased under
standing of the water quality of a particular stream, lake or estuary.
The process of calibrating a mechanistic model not only provides information
on cause-and-effect relationships, but also indicates what is not understood.
Understanding the limits of knowledge about a particular water body is also
important in making decisions about water resources.
Most important is that mechanistic models provide a predictive capability that
is not available in purely empirical models.
II. G e n e r a l P r in c ip le s
One principle unifies mechanistic water quality and flow modeling. That principle is the
law of conservation derived from Newtonian mechaiucs. The law of conservation is that a
basic intrinsic property is neither lost nor gained, but is conserved. Models of water quality
and hydrodynamics are derived by applying the laws of conservation to conservative
properties such as momentum, heat energy, water mass, and contaminant mass.
A. Laws of Conservation
The fundamental mechanistic principles for all modem models of flow and water quality
are based are the laws o f conservation, familiar to any student of physics and mechaiucs. The
primary laws of conservation in mechanistic models are:
1. Conservation o f energy states that the energy associated with matter entering any
system plus the net energy added is equal to the energy leaving the system, or
the net work done by the system, and the change in energy within the system.
Thus, energy is conserved. The chief uses of the conservation of energy principle
in water quality modeling are to: (1) formulate a heat balance for temperature
and evaporation modeling, and (2) derive useful mixing relationships from the
conservation of total kinetic energy. When applied to thermal energy, the con
servation of energy law is also known as the first law o f thermodynamics.
2. Conservation o f mass states that mass can neither be created nor destroyed, but
merely transferred or transformed. This law forms the basis for most mechanistic
models of water quality modeling. In fact, water quality models based on this
principle are commonly called mass balance models. The law of conservation of
mass is applied to water mass in models of hydrodynamics and water transport,
and to the mass of materials dissolved or suspended in water.
3. Conservation o f momentum states that momentum can neither be created nor
destroyed, but merely transferred or transformed, and is thus conserved. The
law of conservation of momentum was first noted by Galileo and forms the basis
of Newton's first law o f motion. In its essence, an object that is at rest will tend to
remain at rest and an object in motion will tend to remain in motion unless acted
upon by external forces. Conservation of momentum applies equally to a parcel
of water moving in a river as to an object falling though the atmosphere or a
spaceship moving through the void. Many equations of fluid motion used in
this book are derived from the conservation of momentum.
Fundamental Relationships fo r Flow and Transport 9
These laws fonn the underlying principles of flow and water quality modeling and much
of modem science and engineering. Conservation of energy is the basis of all mechanistic
temperature modeling. Conservation of mass is the basis for transport modeling. When the
mass balance is expanded to include kinetic changes of nonconservative parameters such
as dissolved oxygen, these transport models are referred to as water quality models. Conser
vation of momentum is the basis for all flow models. Flow models are generally of two
classes, hydrodynamic cmd hydraulic models (Liggett 1995). Hydrodynamic models
involve fewer approximations of the conservation of momentum equations. Hydrody
namic models are typically solved dynamically for three dimensions and involve intensive
computations using advanced numerical mediods. Hydraulic models are generally more
approximate <md limited in scope. They are exclusively one-dimensional applications to
streams and well-mixed estuaries. On occasion, hydraulic models may have begun as
empirical approximations such as the very simple Maiming equation. Nevertheless, even
the simplest hydraulics models have been later derived from basic force balances or the
conservation of momentum principle. Most present-day hydraulics models are derived
from the conservation of momentum equations. Both French (1985) and McCutcheon
(1989) trace the relationship between various hydraulic equations.
Models of water flow and transport predict changes in conservative properties or the
change in state of the system that results from a change in one or more of its intrinsic prop
erties: energy, mass, or momentum. Mathematically, a change in state of a system is merely
the difference in properties between the final state and the beginning state. If P is an intrin
sic property, then the change of P between states one and two is exactly
z
Jd P = P ,- P , ( 1)
This change of state can result from different processes where the changes involve different
paths between the initial and final states. However, the change in state is the same, regard
less of the path or process leading to that change.
B. Extrinsic Versus Intrinsic Properties

The intrinsic properties energy, mass, or momentum are not measured directly. Instead,
intrinsic properties are derived from fundamental relationships with measurable extrinsic
properties like temperature, water density, contaminant concentration, and flow or velocity.
Extrinsic properties are "concentrations," like quantities per unit volume of water that are
not conserved like intrinsic properties. Thus, the laws of conservation cannot be used
directly to predict changes in temperature, volume, or density. Only the products heat con
tent, mass of water, mass of constituents, or momentum are conserved properties that can
be used to predict changes in a water body.
Since temperature is a measure of heat energy contained in a volume of water, the fun
damental relationship between heat energy and temperature is
H = (pc,T)V= C,V (2)
where H is the heat content in SI units of Joules (J) or British Thermal Units (BTU) and dimen
sions of (F L or M T"^), c^ is the specific heat of water at a given pressure with SI units of J
kgr’ K"' or English units of BTU Ibn,"* ®F-^ and T is the temperature in K or °F. The quantity
(pCpT) is the "concentration" of heat (Q with dimensions F and SI units of J m"®).
10 Hydrodynamics and Transport fo r Water Quality M odeling
The amount of water mass contained in a unit volume of water is the density of water (p
with dimensions of M L"®, SI units of kg m"®, and English units of lb„ fH). The mass of water
m„ is then related to the density by
= p V = C„V (3)
where V is volume (L®, m®, or ft®). To establish a relatioiiship with other extrinsic properties
like concentration of contaminants, the density of water can be considered as the concen
tration of water C„ (mass per unit volume).
Concentrations of contaminants are the typical measure of water quality constituents
where the concentration refers to the mass of that constituent (m^) dissolved or suspended
in a given volume of water, as indicated by
m, = CV (4)
where C is the concentration (M L-® or g m-® = mg L”*). Finally, momentum is the product
of mass times velocity (m„M, where u is velocity with dimensions of L T"', SI units of m s"*,
or English units of ft s“*). A similar relationship for momentum is
mû = {pu )V = C „V (5)

where the quantity (pu) with dimensions of M L"® T'*, SI imits of kg m~® s"®, and English
units of lb„ ft"® s"* may be thought of as the "concentration" of momentum (C„).
C. Net Accumulation: Application of the Laws of Conservation

For the conservative properties energy, mass, and momentum, which are neither created
nor destroyed only transformed, the conservation or balance equations are simply "book
keeping," or tracking procedures for the amount of the property present or
Accumulation = ± Transport ± Sources/Sinks (6)
where accumulation is equal to the difference in transport into or out of a system, plus any
gains or losses that resulted from sources and sinks. Accumulation is therefore the time rate
of change by which a conservative property builds up or accumulates inside a system or
the rate of change in state illustrated in Equation 1. If P is an intrinsic property, then accu
mulation in a specified volume is the incremental change in P over some incremental time.
or
Accumulation = —
At
(7)
Written in terms of conservative intrinsic properties
4(P)^] 4(C)V] 4iP^)V]

Accumulation = or (8 )
At At At At
Heat Water Mass Constituent M ass Momentum
Equation 6 establishes that accumulation is equal to transport and transformations that

cause changes in water quality. These processes include the rate at which a property enters,
minus the rate at which it leaves, and plus or minus any sources or sinks for the property
inside the system. This fundamental form will be used for the derivation and presentation
of both flow and water quality equations. The primary differences between conservation
equations for heat, water, constituents, and momentum relate to how the sources, sinks,
and transport of intrinsic properties are handled. Much of this book is devoted to this very
topic in presenting equations, model algorithms, and solutions for rivers, streams, lakes,
reservoirs, and estuaries.
Transport is a vital process that refers to the flux of a conservative property into and out
of a system due to the movement of water. The water movement may be due to organized
flow of water {advection) or to less organized turbulent mixing and diffusion caused by the
random movement of water and contaminant molecules. Advection moves a property
from one location to another without affecting the relative distribution in the system, while
mixing causes distributions to change or become smeared, as illustrated in Figure 1.
FIGURE 1
Effect of advection a n d m ixing processes. Distance
Sources and sinks must be defined very specifically for each intrinsic property being sim
ulated in a specific water body. Heat-energy sources and sinks are related to solar radiation,
long-wave radiation, evaporation, conduction, seepage, precipitation, inflows, and out
flows. Sources and sinks of water mass include inflows, outflows, evaporation, precipita
tion, and groimdwater seepage. Sources and sinks for a chemical constituent in water
include loads from extemcil sources (i.e., sewage treatment plants), tributary irtflows, atmo
spheric deposition, sediment exchange, settling, volatilization, reactions that create a con
stituent from other impurities or transform a constituent, and mass in outflows. Sources
cmd smks for momentum include friction that converts momentum to heat and gravita
tional forces that add momentum.
If advective transport in and sources exceed the trairsport out and losses, accumulation
occurs. If the transport out and losses are greater, then accumulation is negative and P, the
intrinsic property involved, will decrease over time. However, if the sum of the transport
and sources and sinks are equal, then the property will not change with time and accumu
lation will be zero. This is the steady-state condition.
At this point, an important distinction must be made between a conservative property
and a conservative substance. A conservative substance is an ideal material that does not
undergo reactions or transformations so that the source and sink terms are zero. A few con
stituents in water, like dissolved solids, chloride, and certain dye tracers, approach the
ideal behavior of a conservative substance imder limited conditions. In fact, these sub
stances are ideal for calibrating a transport model; only mixing remains to be parameter
ized. By contrast, most constituents in water are nonconsermtive. These constituents react,
transform, sorb, settle, volatilize, or change in various ways so that mass is not conserved
unless these reactions and changes are quantified as noted in Equation 6.
D. Control Volumes
To develop a conservation equation for the change or accumulation of heat energy, mass,
or momentum, the system must be defined. A specific and distinct volume of water must
be defined to answer the very practical questions of where a property is accumulating, and
how much transport is occurring into and out of a volume of water. This volume of water
is a control wlume, well known to all students of thermodynamics.
A control volume, illustrated in Figure 2, is simply an object for analysis separated from
all other objects by a known or defined boimdary. The boundary can be closed so that noth
ing can pass through, like a tank with impermeable walls. Also, the boundary can be open
so that mass, momentum, and heat energy, can enter or leave. The surfaces of an open
boundary are also known as control surfaces across which material moves. Both open and
closed boimdaries are employed, sometimes in combination, to apply water quality and
flow models.
Control Volume
Time
FIGURE 2
C ontrol v o lu m e w ith inputs, o u tp u ts and accum ulation.
The size of a control voliune varies in size from oceans to very small volumes. Except for
global mass balances, water budgets, and other simple accormting analyses, most control
volumes must be small enough to define gradients that occur in the intrinsic properties.
However, the resolution of gradients can be as crude as using one control volume for a
large lake to determine average accumulation over time, or gross changes in properties
between the inflow and outflow of a lake. Therefore, what is "sm all" enough depends
largely upon the problem to solve so that no well defined upper boimd exists. Typically, a
control volume is selected to be a "small" parcel of water, a selected region of a lake or river,
or a layer of a lake or ocean. How rapidly constituents change in a body of water dictates
how small control volumes should be.
A reasonably defined lower boimdary for a control volume is based on the concept of
continuity. To treat a system as a continuum rather than a system of discrete molecules,
which would be a horrendous number of separate elements to track, control volumes must
be at least several orders of magnitude larger that the largest molecules involved. As a
result, practical studies are never limited in the minimum size of control volumes. Instead,
computational burdens limit control volumes for large-scale studies to approximately 50(P
m* or perhaps down to 50^ m^ for smidler-scale studies.
To explore the limits on minimum control volume sizes further, the concentration of a
water quality constituent can be defined at a point by
Am,
C = lim (9)
AV
where Am^ is an incremental mass contained in the incremental volume AV. However, the
actual limit of the incremental volume cannot be allowed to approach zero actually if a con
tinuum is to be maintained. A lower limit exists because the size of the incremental volume
must be large in relation to the size of the molecules that make up the incremental mass.
Similarly, a lower limit for the size of the control volumes must occur for evaluating the
momentum or heat contained in a water parcel.
III. Physical Properties of W ater

Fluid properties affecting the transport of energy, mass, and momentum include deirsity,
compressibility, viscosity, and molecular diffusivity. Most of the important physical prop
erties veuy with temperature and these properties are given in Appendix I.A. Appendix LA
includes density, specific weight, absolute and kinematic viscosity, surface tension, thermal
capacity, enthalpy, heat of vaporization, and saturation vapor pressure. Appendix l.B also
gives important conversion factors that can be a critical part of accurate calciilations involv
ing physical chemical properties.
A. Density and Specific Weight

The density of water is a basic property defining the intrinsic mass in a specific volume as
noted in Equation 3. Because density depends on the number of molecules present in a unit
volume, and since increasing temperature will increase molecular activity and the distance
between particles, density varies as a function of temperature. The relationship with temper
ature is nonlinear, because of the ability of nonpolar water molecules to fit into closer packing
arrangements at 4°C. In addition, density is affected by the materials dissolved or suspended
in the water. EMssolved or suspended molecules have a different density and change the over
all density when supplanting in significant numbers the water moleailes of a solution.
Water density has SI imits of kg m"® and English customary units of slugs fH or lb„ fH.
Pure water density is a maximum of 1000 kg m"® at approximately 4°C and drops to 994 kg
m~® at 35°C. Density decreases as temperature increases except between 0°C and 4®C,
where density increases with temperature. The polar structure of water molecules and the
ability to aclüeve better molecular packing arrangements at 4°C leads to this interesting
behavior of water density. At 0°C, pure water density is 999.87 kg m*^. Figure 3 shows the
behavior of density with changing water temperature. Density is best calculated as a func
tion of temperature using the Thiesen-Scheel-Diesselhorst equation (Ulton and Taylor
1937, WunderUch 1972 and 1991).
FIGURE 3
R elationship betw een w a te r density, salinity a n d tem
Temperature ( ® 0 perature. N ote: p p t = p a rts p e r th o u san d .
T-H 288.9414
Pr =iooo|î- ( T - 3.9863)^ ( 10)
508929.2 (T- f 68.12963)
where T is water temperature in “C. In addition to Equation 10 derived for precise labora
tory work, equally empirical polynomial equations relate water density and temperature
in ®C. Standard Methods (1992) and Gill (1982) provide one of the better examples where
Pr = 999.842594 + 6.793952 x lO-^T - 9.095290 x KHIP
+ 1.001685 X - 1.120083 x lO-^T* + 6.536332 x lO^T’ ( 11)

The specific weight of water results from the gravitational attraction for a given volume of
water at a specified temperature. Weight is a force that can be related to the intrinsic property
mass using Newton's second law of motion, which states that force is equal to mass times
acceleration, F„ = where is the standard gravity acceleration (Wunderlich 1996), equal
to 9.80665 m (exact) or 32.1740 ft sr^ The specific weight is therefore defined as
Y=Pg (12)
where /is the specific weight of water, and p is water density (kg m"®). In SI units, specific
weight is expressed as N m-®. One Newton (N) is equal to 1 kg m sec^. At normal water
temperatures, the specific weight is 9789.3 N m"* (at 20°C). In English customary units, spe
cific weight is expressed as lb, ft^ and has the typical value of 62.4 lb, fH (at 15°C).
An empirical relationship, the equation o f state, is necessary to establish the relationship
between water density, temperature, salinity (a common measure of the dissolved solids
content), and suspended solids. The equation of state provides a vital link between water
quality and flow models, or models of water movement. Flow models simulate changes in
momentum and water mass used in water quality models to simulate the advection of dis
solved or suspended materials in water and temperature. However, both water mass and
momentum are affected by density, which is in turn affected by water quality simulations
of concentrations of dissolved and suspended solids and temperature.
One of the more useful relationships relating density to temperature, dissolved solids,
and suspended solids is
p = Pj + Aps + Ap^ (13)
where p is the water density (kg m"®), p,- is the density of pure water as a function of tem
perature (see Equation 10), and Apj and Ap^, are the changes in density due to dissolved and
suspended solids, respectively. The most generally accepted relationship between dis
solved solids or salinity and density is (Standard Methods 1992, Gill 1982)
Ap, = (0.824493 - 4.0899 x IQ-^T+ 7.6438 x 10'®T^ - 8.2467 x 10'^ T® + 5.3875 x 10^T*)C.
+ (-5.72466 X10-*+1.0277 x 10-*T -1.6546 x '2

+ 4.8314 x lO^C;
-SL
(14)
where Q l is saliiuty in g of salt per kg of seawater or ppt = parts per thousand written as
%o. The temperature Thcis the units of °C. Salinity is a common measure of dissolved solids
in irrigation and oceanographic studies (McCutcheon et al. 1993). Illustrated in Figure 3 is
the relative influence of temperature and salinity on water density. The effect of suspended
solids concentrations on density can be calculated as (Gill 1982)
10^ (15)
where Aps, is the change in density due to suspended solids, C„ is the suspended solids con
centration (g m"^ or mg L"*), and SG is the specific gravity of the suspended solids.
B. Compressibility
A second basic property is that water is relatively incompressible in surface waters. Water
volume does not change appreciably when pressure is applied. This behavior is different
from gases, where volume changes in direct proportion to pressure changes. The change in
volume of a solid, liquid, or gas per unit pressrore is related to a constant (E"*) multiplied
by the original volume or
V
(16)
dp E
where V is volume, p is pressure (F L"*) and E is the modulus of elasticity (F L"®). The mod
ulus of elasticity for water is relatively large, i.e., 2.2 x 10® kN m"^ at 25°C. Over the limited
range of hydrostatic pressure changes, water volume changes in most surface waters are
negligible.
A consequence of the incompressibility of water is that pressure changes move quickly
through water. Small pressure changes travel through fluids at a finite velocity or celerity.
The celerity of pressure waves is related to the modulus of elasticity. Sound, which occurs
as a small pressure disturbance, travels through water much more quickly than through air,
since the modulus of elasticity for water is large compared with that of air.
C. Newtonian Fluids and Molecular Viscosity

To solve the conservation of momentum equations for a specific fluid, the relationship
between shear stress in the fluid, T, and the strain rate or local velocity gradient must be
known. For water and many others fluids, the relationship between shear stress and the
velocity gradient is linear. Tlus was noted by Sir Isaac Newton and thus these types of flu
ids are labeled Newtonian fluids. For other fluids such as mudflows, melted plastics, blood,
catsup, and syrup, the relationship is nonlinear. These fluids are known as non-Newtonian
fluids (Bird et al. 1977).
Newton's expression of the proportionality between shear stress and velocity gradient
has become known as Newton's law o f viscosity
du
T= -U --- (17)
^ ds
where Tis the viscous shear stress (M L"*T"‘ or F L'^), 3«/3s the velocity gradient between
the fluid layers (T“^), and /i a constant of proportionality (M L"*T"* or F T L"^) defined as the
coefficient of viscosity or absolute viscosity. In solving the equations of motion, absolute vis
cosity p and density p are conveniently grouped as the kinematic viscosity v defined as
y=^ (18)
P
In SI uiüts, dynamic or absolute viscosity is expressed in the units N s m-^. The English
common units are Ibf s ft*^ or slugs ft"* s"*. Note that 1 Ibf s ft"^ = 1 slug ft"* s"* or kg m"* s"*.
In SI units, kinematic viscosity is expressed in the units m^ s"*. The English uiüts are ft^ s"*.
Both absolute and kinematic viscosity decrease as molecular motion increases with
increasing temperature as shown in Figure 4 and Appendix LA. Dynamic viscosity values
can best be calculated from the empirical expressions of Hardy and Cottington (1949) and
Swidells (personal communication in Weast 1986) expressed in the units of N s m"^ as
1301
log,o(AtxlO*) = ■-1.3022 for T = 0” to 20“C (19)
998.333 + 8.1855 (T - 20) + 0.00585 (T - 20)
and
, u 1.3272 (20- T ) - 0.001053(7-20)^ , ^

login —
.. = ---------------------------------------------—
T’ for T = 20° to 100°C (20)
A*20 T +I -me
105
where is the dynamic viscosity at 20°C = 0.001002 N s m"^. Some compilations of viscos
ity values (Perry et al. 1963, Streeter and Wylie 1975, ASCE 1942) are based on Bingham's
formula (1922) which is now considered out of date.
0.0020
FIGURE 4
R elationship b etw een absolute viscosity a n d tem perature.
\^cosity is due to the molecular attractions within a fluid that resist a tendency to
deform or flow. For water and all Newtonian fluids, viscosity is independent of shear stress
and the associated flow or velocity gradient. Thus, the viscosity of water is a property of
the fluid and not of the flow. The proportional nature of Equation 17 also indicates that
water responds immediately by beginning to move as soon as shear stress is applied. In
addition to an immediate flow response. Equation 17 also indicates that the frictional shear
will be transmitted throughout an unstratified flow. Density stratification will, however,
dampen shear stresses in a fluid flow.
The importance of viscosity in characterizing a flow follows from the two basic types of
fluid motion, laminar and turbulent flow. In laminar flow, the fluid remains in well defined
layers or laminae that slide over each other in an organized manner. Mixing is limited to
molecular diffusion between layers. By contrast, chaotic turbulent flow involves more-ran
dom movement and any mixing is dominated by the chaotic movement of large parcels of
waters between layers of the flow. Fluid flow near a solid boimdary increases from zero at
the boundary with increasing distance away from the boimdary as shown in Figure 5. If the
Flow
a) Laminar
Flow
JZ .
b) Turbulent
Flow
FIGURE 5
L am inar a n d tu rb u le n t flow n ear a solid boundary.
flow is laminar, the difference in velocity between the laminae or fluid layers causes a ten
dency for the laminae to distort. The shear or frictional stress is proportional to the area of
contact cind the velocity gradient between the laminae (see Figure 6). In laminar flow, any
FIGURE 6
L am inar flow near a solid boundary. N ote: u = ho ri
zontal velocity, s = vertical coordinate, du = differential
velocity betw een lam in ar o r fluid layers, a n d ds = d is
tance b etw een lam ina.
disturbance or distortion between layers will be quickly dampened and the flow will
remain laminar. The viscosity or attraction between molecules is responsible for dampen
ing turbulence and maintaining laminar flow. If the velocity gradient increases beyond the
point where viscous attractions can no longer dampen distortions, the flow will become
chaotic or turbulent, as illustrated by velocity fluctuations at a specific location in Figure 7.
For laminar flow, a steady velocity can be represented as a single value, while turbulent
FIGURE 7
Velocity fluctuations for stead y lam inar a n d turbulent
flow.
flow is highly variable even if the velocity averages out to a constant value over time.
Instantaneous turbulent velocities are often represented by a mean value (obtained by
averaging over some period of time) and fluctuations about that mean. In turbulent flow,
the stability of viscous dampening of disturbances is overwhelmed by the violent nature of
the flow. Water parcels will not flow in distinct layers and the chaotic mixing of the fluid
will quickly result in uniform concentrations over the flow.
In turbulent flows, shear-induced mixing of slower and faster parcels of water dominates
momentum transfer throughout the flow, ^^cous dampening will not dominate momen
tum transport as in laminar flows, yet it remains important. The viscosity of a fluid governs
the rate at which turbulence dissipates, or controls the breakdown of chaotic swirls and
eddies into smaller eddies until the final microswirls are dissipated by viscous forces in the
fluid. Without viscous dampening, turbulent flows would forever remain chaotic, turbu
lent tempests that could only intensify as runaway chaos.
In laminar flow of water, the shear, or frictional stress, is directly proportional to the
velocity gradient as shown in Figure 6, and as expressed in Equation 17. As a result, flow
equations can be derived from Equation 17 but that will be deferred in preference to inves
tigating turbulent flows later in this chapter. Turbulent flows dominate enviromnental
fluid mechanics, and thus are the appropriate focus for this book.
D. Molecular Diffusivity
Molecules are continuously in random motion so that, at any given time, molecules can be
moving into and out of a control volume. As illustrated in Figure 8, some fraction of the
molecules near an open control surface will cross during any given interval of time. An
open boimdauy is one that readily permits movement of flows and molecules. The water
present is treated as a continuous fluid if the control volume is large, so that on average as
many molecules of water will move into the control volume as out of it. The net effect of
water diffusion is that there is practically no net transport of water due to molecular
motion. However, for materials dissolved in water with an uneven distribution, the net
effect due to random molecular motion is not zero. Unlike the water present everywhere,
dissolved constituents are transported along gradients from high concentration areas to
areas of lower concentration. In this way, dissolved amd suspended coiistituents are spread
or smeared throughout the fluid.
According to Tick's first law, net diffusion of contaminant molecules occurs when concen
tration gradients exist. The probability of a molecule moving out of an area of higher concen
tration will be greater than that of one moving into the area of higher concentraHon. As
illustrated by Figure 9, the net result is that molecular diffusion will tend to "equalize" con
centrations within the fluid or eliminate concentration gradients. The rate of elimination or
FIGURE 8
M olecular diffusion across a control surface.
FIGURE 9
M olecular diffusion. N ote: C is th e concentration o f
particles a n d r, is the ra d iu s of the container (from
USEPA 1991).
mixing will depend on the magnitude of the gradients and the rate of molecular motion.
Water temperature controls the rate of molecular motion.
The basic law of diffusion is Pick's first law, which can be derived using the concept of a
random walk. To illustrate how the random walk works, consider a container of constant
volume subdivided into five segments numbered 1 through V. Assume that advective or
convective turbulent motion is absent and that only molecular diffusion occurs. This
assumption can be enforced strictly by assuming that the segments are separated by mem
branes like the ion-exchange membrane used in advanced water treatment. Ion-exchange
membranes permit diffusion but not water flow. The cross-sectional area between seg
ments is cissumed to be a constant value of A , to simplify the calculations. Figure 10 illus
trates the simple yet practical setup of control volumes and shows how the concentration
/=0
100%
80%
f=0 60%
40%
20%
0%
t = At
100%
80%
t = At 60%
40%
20%
0%
A t = 2At
100%
80%
t = 2At 60%
40%
20%
0%
2 5 f = pp
20% 20% 20% 20% 20%
______ ^ e ____ s E ____ S P ____ S P ______
FIGURE 10
O lustration o f physical d isp ersio n u sin g the concept of the ran d o m w alk (from U SEPA 1991).
or mass gradient will change with time. At time zero, 100% of the particles are in the middle
segment (HI). The random motion of the particles will immediately result in the transfer of
some particles through the membrane into adjacent segments. If the probability P, of a par
ticle passing through the membrane during some period Af is 2%, then the mass transfer of
particles will be that probability times the mass of particles in the particular segment (P,
m JM ). Ehiring the first time interval, only the middle segment contains particles, so 20%
of the initial mass will be transported into segment 11 and 20% into segment IV. During the
second time step, 20% of the particles in segment 11 will be transported to segment 1 and
20% to segment III, 20% from segment III to segment II and 20% to segment IV, and 20% of
the particles in segment IV to III and 20% into V. This process continues imtil all the parti
cles are equally distributed among all the segments.
The net flux J due to diffusion across an incremental area (AA, with dimensions or typ
ical imits of m^) of any interface between control volumes, can be written as
Am,
/= m ,,------ '— m„ = — '-------- Ax (21)
AA At “ AAAf " AAAf Ax
where / is the net flux in kg m'^ s'* (M T"'), P, is the probability of the transfer across the
interface (dimensionless) in the time interval Af, m^. is the mass of constituent present, I des
ignates mass on the left side of the interface, r designates mass on the right side of the inter
face, and Ax is the distance the particles travel between segments. The distance Ax is the
mixing length that represents the distance from the centroid of one segment or control vol
ume to the next. For the uniform segments selected in Figiue 10, Ax is also the length of seg
ments. Equation 21 can be rewritten with the more convenient concentration gradient by
noting that Am^ = V AC (AC is the concentration difference of particles across the interface
in kg m"® or M L"®), AA = Az Ay, and V = Ax Ay Az, such that
J p ,( a ^ ) ' ac
(22)
' At Ax
where Ax, Ay and Az are distances in m(L) that define an incremented control volume. If the
rate of transfer / is due to molecular motion, / should not depend on the size of the seg
ments or control volumes selected. For this to be the case, the quantity [PR(Ax)^/Af] must
be a constant. This constant is the coefficient of molecular diffusion. At the limit. Ax 0,
the net mass flux can be written in a continuous form as
; = _D — (23)
‘ " dx
where C is concentration (M L"®), x is the spatial dimension measured perpendicular to a

control surface, and the proportionality constant D„ is the coefficient of molecular diffusion
(L® T-'), which is a property of molecular motion, not fluid motion. The coefficient of diffu
sion has the SI units of m® but the derived urdts cm® s"* are typically used.
Equation 23, Tick's first law, shows that the rate of diffiision is proportional to the concen
tration gradient. The negative sign implies that the flux transfers mass away from areas of
higher concentrations to areas of lower concentrations, thus eroding concentration gradients.
Except for the effects of temperature changes on molecidar motion that can be calcu
lated, the molecular diffusion coefficient is essentially constant. This makes it possible to
expand the one-dimensional form of Pick's first law into a two- or three-dimensional
expression. The three-dimensional expression for the mass flux due to molecular diffu
sion is therefore
Flux=-D „\ - ^ + - :r - + — (24)
•"[dx dy d z )
To pursue the theme that similar forms are derived from the law of conservation for
intrinsic properties, note that the form of the mass flux due to molecular diffusion in Equa
tion 23 is identical to the form of Newton's law of viscosity (Equation 17) for shear or fric
tional stress in lamincir flows. For heat trairsfer, Fourier's law of heat conduction is also
identical in form (Kreith 1973)
1. ^ (25)
where is the heat flux in SI units of watts (W) m"® or English units of BTU h~* ft"® (M
or F L"' T"*); k^, the constant of proportionality, is the thermal conductivity of water (M L
T^ deg."* or F T~* deg."*) in SI imits of W m"* K"* or in English units of BTU h"* ft"* ®F"*;
and 3T/0X is the water temperature gradient along the spatial direction x (degrees L"*).
As with shear stress and heat conduction in laminar flow, the rate of diffusion is related
to a gradient multiplied by a proportionality constant that quantifies mass transfer just
as the coefficient of viscosity quantifies momentum transport. In all three cases, the coef
ficients of viscosity, mass diffusivity, and heat difiusivity are properties of the fluid. For
many turbulent flows, similar momentum, mass, and heat-transfer ftmctions can be
derived, but these forms will involve mixing coefficients that are functions of the flow.
IV. Instan taneous Equations for Fluid Flow and Transport

The basic equations for fluid motion and transport consist of conservation equations for
water mass, momentum, thermal energy, and constituent mass. One mass balance equation
is written for each individual water quality constituent of interest. The equations for con
servation of momentum and continuity or mass balance of water form the basis for simu
lating changes in water body hydrodynamics; flows and volumes (or velocities, and water
surface elevations or depths). Simulated flows and volumes are necessary to simulate the
transport of heat and water quality constituents. The conservation of heat and constituent
mass equations form the transport or water quality equations. These equations are the
advective-dispersive equation or the mass balance equation used in water quality simula
tions. Thermal energy and constituent mass equations control local water densities, as
described by the equation of state, which in turn affects mass and momentum transfer.
This section will introduce the basic flow eind transport equations written in terms of
instantaneous variables. As discussed in section n.D, control volumes cannot be reduced
to an infinitesimally small size since the volume must be large in comparison with the
water molecules. Therefore, the basic flow and transport equatior\s caimot be written for a
point in space using a control volume approach. The equations can, however, be written for
an instant in time or to be continuous in time.
A. Fundamental Form of the Conservation Equations

The fundamental forms of the basic equations for the conservation of momentum, water
mass, heat energy, and constituent mass are the same. This consistent fimdamental form
can be derived by writing a conservation equation for a control volume of a small incre
mental size, as illustrated in Figure 11. The dimensions and volume of the incremental
FIGURE 11
A control volum e sho w in g the flux o f a n intrinsic p ro p
erty in the X, y, a n d z directions a n d the change in flux
in these coordinate directions.
control volume are given by the differential lengths (dx, dy, and dz) along each of the coor
dinate axes (x, y, and z) where the volume is the product of those lengths (V = dx dy dz).
The transport of the "concentration" of an intrinsic property (per unit volume), Q IS

expressed by noting that the quantity present in the control volume is C, dx dy dz. The
time rate of change or accximulation of the intrinsic property within the control volume
is equal to the sum of the fluxes, or rate of transport per unit time, through all control sur
faces. Control surfaces are open boimdaries or faces of the control volume. Also added or
subtracted are any sources or sinks that occur, or
n
dx dy dz)
= ^ F j± Sources/Sinks
^ ~ M (26)
Accumulation Transport
where f,- is the flux through interface or control surface i. There are n number of control
surfaces, e.g., the cube-shaped control volume shown in Figure 11 has six control sur
faces. The net flux along any coordinate axis is equal to the flux in minus the flux out, or
the flux out is equcd to the flux in plus any change in flux along the axis as noted in Figure
11. The change in the flux is also the rate of change per unit length along the axis multi
plied by the differential length of the control volume (Ax = dx. Ay = dy, or Az = dz). If the
six fluxes illustrated in Figure 11 are used to describe transport in Equation 26, the con
servation equation becomes
5(C, dx dy dz)
(27)
which is simplified to yield
d(C^ dx dy dz) dF . , dF , ...

— i------------- = — dx - dy - dz ± Sources Sinks (28)
dt dx dy ^ dz '
The fluxes, F„ Fy, and (abbreviated F,) result from two processes: advection and mix
ing. When advection occurs, the intrinsic property is transported by the flow of water
through the control volume interface. Pure advection will translate an intrinsic property in
the direction of the flow without affecting the distribution of the property in the water
body, as noted in Figure 12. The volumetric flux or flow of water has dimensions of L* T"’
and is equal to the product of the cross-sectional area of the interface (L^) times the water
velocity (L T"') nornwl to that area. The flux due to a unit flow is then equal to the product
of the volumetric flux times the concentration of the intrinsic property C, so that the flux
terms for the three coordinate directions (x, y, and z) are
Fx = u d y dz C, (29)
Fy = v dx dz C, (30)
F^ = w dx dy C„ (31)
where u, v, and w are the instantaneous velocities along the x. y, and z axes, respectively.
After simplifying, the net fluxes due to advection are
2) Due to diffusion or diffusion-like processes which

tend to reduce gradients
FIGURE 12
1) A dvective tran sp o rt b y flow, 2) Diffusive traiw port, a n d 3) C om bined effect of advective a n d diffusive tran sp o rt
(from USEPA 1991). N ote: C(f) = concentration as a function of tim e t a n d i = longitudinal distances.
d {u d y d zC ,)^ ^
ivi tdmtkm (32)
dx
d iv d x d z C ,)
(33)
■ ^
d {w d x d y C ,)
z\advection (34)
dz
According to Pick's first law of diffusion, the rate of diffusive transport is proportional to
the gradient (change in quantity over distance) across the interfaces of a control volume
26 Hydrodynamics and Transport fa r Water Quality M odeling
and the interfacial area. Using Pick's law, the flux along each of the three coordinate axes
can be written as
d iV d y d z C ,)
(35)
dx
d i^ d x d z C ,)
(36)
^y=-
dy
¿(•PdxdyC.)
(37)
dz
where "Pis a proportionality constant. Note the similarity between this expression for the
flux due to diffusive transport and the net flux expression for advective fluxes. Thus, the
flux due to diffusive transport is the net flux for the two-way transport across each inter
face. Using the relationships described in Equation 28, and after simplification, the net dif
fusive fluxes for all interfaces then become
dj^FdydzC,
(38)
dx dx
d_ d(*F dxdzC ,)
(39)
d{'F dxdyC ,)
(40)
* dz
Combining the derived fluxes for net transport due to advection and diffusion (Equa
tions 3 2 ,3 3 ,3 4 ,3 8 ,3 9 ,4 0 ) with the generalized conservation Equation 28 produces
djC ^ d x d y dz).. d{u C ,dydz)^^ d{vC ,dxdz) d{wC,dy dx) ^

dt dx dy dz
(41)
dV d x d zC .
^'^^’^ Y ± S o u r c e s l S i ^
dy dz
which is a generalized, three-dimensional, advective-dispersive equation for intrinsic

properties written in terms of instantaneous variables. This generalized equation serves as
the basis to develop conservation equations for each intrinsic property: water mass,
momentum, heat, and constituent mass. The resulting basic equations are summarized in
Table 1, and the development of these equations discussed in the sections that follow.
TA BLE 1
Basic Equations for Flow and Transport Written in Terms of Instantaneous Variables
C ontinuity
du do du)
— +— +— =q
3x By dz
C o n stitu en t T nm sport ^ d(vC ) d{w C ) d9 (( 3C\
9C\
dx dy Bi
M om entum X direction:
du d{uu) d{vu)
dl dx dy di dx\ dx) dy\ dy) d ij *
y direction:
do d(u o) d {v v ) d(w v)
dt dx dy di ¿htV dx) dy) ife V ok.
z direction;
dw d(uw ) d{vw ) d(w w ) d ( d Í oko^ d Í dw

dt dx ‘ dxK dx r d y ^ ' dy J d i\ d i.
E quation of State p = f(C ,7 1
B. Instantaneous Equation for Continuity of Water

The general advective-dispersive equation for intrinsic properties. Equation 41, serves as
the basis to develop the three-dimensional equation of continuity for water mass in terms
of instantaneous variables. The development is based on first noting that the imit of "con
centration" for water mass is the density p, (see section II.B) so that the control volume
(V = dx-dy-dz) multiplied by the "concentration" is equal to the water mass. Second, water
is treated as a continuous fluid. Therefore, gradients in water mass through a control sur
face are effectively zero. Thus, the net movement of water due to molecular motion is
essentially zero. Substituting the expression for water "concentration" (density) into the
generalized advective-dispersive Equation 41, and eliminating the terms for water dif
fusion yields
d jp d x d y d z ) d ju p d y d z )^^ d jv p d x d z )^^ d{w p dx dy) ^^ ^

dt dx dy dz ’’
where Qss is the net volumetric influx of water into a control volume (L^ T*') due to all of
the sources and smks for water mass. Sources and sinks include precipitation, evaporation,
groimdwater intrusion, groundwater recharge, point source discharges of wastewater, and
storm water runoff. Water flow is handled explicitly in the basic equation as advection. The
dimensions of all of the terms in Equation 42 are M T"*. The convention is that sources of
water flow are a positive flux while sinks are negative.
Equation 42 can be simplified by first noting that water is incompressible in almost all
surface water settings (see section 1I.B). As a result, the volume of water in a control volume
at any instant will not change, even if flows are tmsteady (i.e., the volumetric water flux
changes with time). Therefore, what goes into a control volume must come out and the
accumulation term {d{dx dy dzp)jdt) becomes dp/Bt. Stated in mathematical terms, x, y, and
z are independent variables. Based on this, dx, dy, and dz cein be taken outside the deriva
tives. It can be noted that the product dx dy dz is a constant volume. Based on these obser
vations, the continuity equation is
M = d{pu) djpv) djpw)

+ pq (43)
dt dx ^ ■ dz
where q is the sum of all flow rates into a control volume (Q^^) divided by the volume of the
control volume {dx dy dz). Representing the sources and sinks of water, q has the dimen
sions (T"'). When density is constant. Equation 43 can be reduced to the simplest form
listed in Table 1.
C. Instantaneous Equations for the Conservation of Momentum

The instantaneous equations for the conservation of momentum can be derived in the
same manner as those for continuity, thermril energy, and constituent mass. Recall that
momentum is mass times velocity, so that the rate of change or accumulation of momen
tum is the product of mass times acceleration. Therefore, the equations for the conserva
tion of m om entum are expressions of N ew ton's second law (force = m ass tim es
acceleration).
As noted in Section II.B, the appropriate way to express the "concen tration " of
momentum is using the product: density times velocity. It is also possible to note that
momentum is transferred or moved from place to place in a flow by two processes:
advection and diffusion.
Diffusive transport for momentum results from shear or frictional stresses associated
with a velocity gradient. Using the shear-stress relationships discussed in section III.C, the
constant of proportionality in the diffusive terms of Equation 41 is the kinematic viscosity
of water CP= v).
While momentum can be described with the same conservation equation, there is a pri
mary difference with other intrinsic properties. Momentum is a vector quantity that has
both magnitude and direction, while water, constituent mass, and thermal energy are scalar
properties that are sufficiently described by only the magnitude of the properties. There
fore, a separate expression for the conservation of momentum along each coordinate axis
(*, y, and z) is required, or
^(P «) _ d(p uu) d{p uv) d(p uw) 1+ —

d L ^ “)l ■„M l
dt ■ dx dy dz ^ -1 + P^x
J dy L d y \ dz\. d^ J
(44)
d jp v ) d{p vu) d{p w ) d{p vw) ■ d ■„M l

dt ■ dx dy dz ^ dz[
-1 + P^v
J dy L ^ J * J
(45)
and
d{pw) _ d[pwu) d[pwv) d{pww) ^

dt dx dy dz
(46)
. d{w) d
+ Pgz
dx dx
where p is the absolute viscosity (pv) with the dimensions M L"' T'*, and g^, gy, and are
the vectors of acceleration (L T"') due to body forces acting on the fluid that include gravi
tation forces. Typical gravitational forces result from freshwater inflows seeking a lower
level, outflows from reservoirs, tidal inflows moving inland due to higher water levels sea
ward, tidal outflows moving seaward, and forces due to wind shear on the water surface.
To simplify the momentum equations further, the Boussinesq approximation is appropriate.
Boussinesq (1903), a French hydrologist, noted that density changes that occur in surface
waters normally do not affect the dynamics or inertia of flow. However, the buoyancy is
significantly affected by small density differences (Turner 1973). Kinematic variations in
flow velocity or momentum transport due to differences in temperatures or concentrations
of dissolved solids (see section III.A) are, for most practical considerations, insignificant.
Also, compared with the magrutude of water density (i.e., approximately 1000 kg m^), den
sity changes only slightly over the typical range of surface water temperatures (4°C to
30°C) by 4.32 kg m'^ or 0.432%. Over the range of 0 to 35 pcirts per thousand salinity (fresh
water versus seawater), the density changes more but only as much as 32.52 kg m"^ or
approximately 3.25%. As a result, it is clear that
(p + dp) = p (47)
where dp is the variation in density (M L"®) due to temperature or dissolved solids vari
ation in the flow.
Where density is approximately constant, this term can be moved outside out of the par
tial derivatives in Equations 44 through 46. Dividing through by volume and density, the
three resulting momentum expressions become those provided in Table 1. Note that all of
the terms in the resulting expression have the dimensions of acceleration (L T”^). Further
more, in the equations given in Table 1 the accumulation term (i.e., du/dt) is the convectixx
acceleration, wfiile the partial derivatives with respect to the coordinate directions {d/dx,
d/dy, and d /d z) are local acceleration terms. The sources and sinks of momentum can be due
to pressure differences, buoyancy forces, and other processes that would result in the accel
eration or movement of water as noted for Equations 44 through 46.
D. Instantaneous Equations for Conservation of Constituent Mass or Thermal Energy

The instantaneous equation for the conservation of mass of water quality constituents or
thermal energy may also be derived from the general conservation equation of intrinsic
properties (Equation 41). The derivation of the basic transport equation for dissolved and
suspended constituents is based on concentration in a imit volume of water C with dimen
sions M L"®. By noting that imit volumes are constant, each term in the transport equation
can be simplified by dividing by volume. Finally, it can be noted that diffusive transport for
constituents is due to moleculcir diffusion so that the proportionality constant in the diffu
sive terms is taken as the coefficient of moleculíu diffusion {'F=D „ with dimensions T"^
see section III.D). The resulting basic equation of constituent transport is written in Table 1.
The basic transport equation in Table 1 is better known as the advective-diffusive equation for
water quality constituents written in terms of instantcmeous variables. Note that all of the
terms in this equation are in the dimensions of a time rate of change in constituent concen
tration (M L"® T"^).
Sources and sinks of constituent mass result from a variety of processes including loads
from point sources (e.g., flow from a wastewater treatment plant) or nonpoint sources (e.g.,
agricultiural and urban runoff). Sources and sinks can also result from internal reactions
and transformations (e.g., biological degradation serves as a sink while production may be
an internal sovirce).
For a thermal energy balance, the appropriate "concentration" C* is
Q = pCpT (48)
where is the specific heat of water (at a given pressure with the units J kg'* K'*) and T is
the water temperature with units K (see section II.B). The concentration of heat has the
dimensions of F L'®. Substituting the concentration of thermal energy into Equation 41, the
generalized conservation equation, noting that the volume of water is constant due to
incompressibility, and noting the specific heat, Cp, is a physical coiistant, yields
(49)
where = •Pin Equation 41 and is the coefficient of thermal diffusivity (analogous to mass
diffusivity coefficient; dimensions are L® T"*) and Hgs is the source/sink term for thermal
energy (M L® T"® or F L T"*). The important sources and sinks include heat conduction
between bed sediments and the water, and the heat flux at the water svuface due to solar
radiation, net long-wave radiation, conduction, and evaporation. The coefficient of thermal
diffusivity is a physical property of the fluid that is independent of coordinate direction or
flow. As such, thermal diffusivity can be moved outside the partied differential terms of
Equation 41 for diffusion of heat. Equation 49 can also be further simplified for the special
case where density is constant throughout the flow, to yield
9T _ d{uT) d{w T )
(50)
dt dx dz dy^'^ dz^ pey
Note that the resulting equation is written for an extrinsic property, temperahue. However,
the basis for the equation is the law of conservation of thermal energy.
For contaminant or corwtituent mass, the transport equation is derived in the same man
ner. For constant density flows, the constituent trar\sport equation is given in Table 1.
V. R eynolds Tim e-A veraged M ean Flow and Transport Equations

The equations developed in section IV, along with the equation of state from section III.A,
form a closed set of equations that is given in Table 1. Tlie set of equations is exact when
written with the instantaneous variables (continuous in time). These equations can be
solved with some ease for several types of laminar flows. However, for most cases of prac
tical relevance, the equations cannot be solved using an exact method. In natural water
bodies, flows are almost always turbulent. In spite of the recent advances in computing,
general turbulent fluid motion caimot be calculated with an exact method (Rodi 1980). As
a result, practical applications require other solution techniques to reduce the basic equa
tions to a more manageable form. One approach is to describe average turbulent motion
(Re3molds 1895) by deriving what is known as the Reynolds equations o f turbulent motion.
A. Turbulent Motion
When flows are laminar, as described in section III.C, fluid layers slide over each other in
an ordered manner (see Figure 6). However, velocity differences between fluid layers do
result in friction, causing a tendency for the layers or laminae to distort or smear. The shear
or frictional stress between layers results from molecular attraction that also causes
momentum exchange between the moving layers. When the intensity of shear overwhelms
the viscous attraction between the polar molecules of water, the flow becomes turbulent.
At this stage in the development of a turbulent flow, the viscous forces of the fluid are no
longer able to damp out the distortions between layers, and the distortions grow into large
chaotic swirls and eddies. These turbulent microcurrents or chaotic eddies move water into
and out of adjacent water parcels or layers. As water moving at one velocity is swept into
another parcel with a different mean velocity, the mean velocity changes. Thus, the velocity
of each water parcel changes as water moves in or out due to turbulent motion. The result
is a chaotic exchange of momentum and transfer of constituent mass.
By contrast, momentum transfer in laminar flow is an ordered process. Momentum
transport between layers moving at different velocities is due to molecules in one layer
bumping into molecules in an adjacent layer, with very limited displacement of molecules
between layers. If significant displacement does occur, this event marks the transition to a
turbulent flow.
One of the best ways to understand the effect of turbulent motion is to observe rising
smoke plumes. On calm days, usually early in the morning (Figure 13), smoke rises in a
straight line and has a regular structure consistent with laminar flow. However, with the
occurrence of any wind, the smoke plume becomes chaotic. Visible at the meugins of the
plume are swirling eddies. This random, chaotic motion is characteristic of turbulent flow.
Wind
FIGURE 13
Illustration o f lam inar a n d tu rb u le n t m otion.
The transition from laminar to turbulent flow has been widely studied but is still not fully
understood (White 1974). The best imderstanding of the onset of turbulence dates to defin
itive studies by Osborne Reynolds in the late 19th century (1895). He first developed the
dimensionless parameter named the Reynolds number in his honor. It is widely used to
define the upper and lower critical velocities for the transition between Icuninar and turbu
lent flow, or
p U l,
R .= (51)
V
where U is the mean velocity (L T"'), L, is a characteristic length (e.g., depth of flow), p is
the density, fi is absolute viscosity, and v is the kinematic viscosity. The Re3molds number
is a fundamental parameter that represents the relative importance of inertia in comparison
with viscous forces in the flow.
In open channel flow, the characteristic length L, is the hydraulic radius, which is the cross
sectional area divided by the wetted perimeter that is approximately equal to the depth for
îvide channels — those where the depth is approximately 1% or less of the width. In open
channels, if R, < 500 then the flow is laminar. If R, > 2000, the flow is turbulent. In the range
500 < R( < 2000, a transition occurs in which the flow may be turbulent or laminar depend
ing on tile history of flow conditions related to the generation of instabilities, and whether
the flow is accelerating or decelerating. The laminar, transitional, and turbulent regimes are
illustrated in Figure 14 (Smith 1975).
FIGURE 14
C o n d itio n s for th e occurrence o f tu rb u le n t m otio n in w id e ch an n els (from Sm ith, 1975. Turbulence in Rivers
and Lakes, Scientific Publication N o. 29, F resh w ater Biological A ssociation, A m bleside, C u m b ria, U.K. w ith
perm ission).
For unstratified flow conditions, the Reynolds number is the sole parameter required to
describe the transition between laminar and turbulent surface water flows. However,
many water bodies are often stratified, or separated into two or more fluid layers with dif
ferent densities. The stratification can result from solar heating of lakes, which causes the
surface layers to become warmer and less dense than deeper, colder waters. Stratification
can also occur in estuaries, due to salinity gradients, or result from buoyant inflows such
as power plant cooling waters. Rivers and streams occasionally become stratified where
warm cooling waters are discharged, or where tributary or reservoir inflows do not mix
immediately.
The differences in densities in highly stratified flows provide an effective barrier to mix
ing and momentum transfer that will resist the formation of turbulent eddies. An estimate
of whether mixing and momentum transfer between stratified layers can occur is provided
by the gradient Richardson number, which is the ratio of buoyancy to mixing energy from
shear stress
R. = - dz (52)
(IJ
where g is the acceleration of gravity (L T"^), p is the fluid density, z is the vertical coordinate
(L), and u the horizontal velocity. When Rj is large, the flow is stably stratified where lighter
fluid overlies denser fluid. As R, nears zero, the flow approaches a homogeneous or neutrally
stratified condition where the density is the same throughout. If R, < 0.25 mixing occurs
between stratified layers (Wetzel 1975, Turner 1973, Morrin and Yaglom 1971). Therefore, at
least two fundamental parameters are needed to determine the occurrence of turbulent, strat
ified flow. These parameters are the Reynolds number and Richardson number.
Occasioncdly, stratified flows are unstable for short periods. When this occurs, the gradi
ent Richardson number is negative, signifying that heavier fluid overlies lighter fluid tem
porarily. Natural occurrences are rare but important. Many lakes and reservoirs destratify
in the fall of the year when colder air temperatures and decreased solar radiation cause sur
face cooling. When the upper cooler layers are denser that the lower layers, lake overturn
ing occurs in short order, leading to rapid mixing of nutrient-laden bottom waters. Thermal
discharges into near-freezing rivers (T < 4®C) travel on the surface until the plume
approaches the temperature of 4°C where water density is at a mciximum. The 4°C plume
overturns with the cooler flow underneath and briefly travels along the bottom of the river
instead of on the surface (McCutcheon 1977 and French and McCutcheon 1977).
The Richardson number is named after the tenacious and under-appreciated Englishman
Lewis F. Richardson, who served for many years as headmaster of an English preparatory
school. Some of his most brilliant work (Richardson 1920) was conceived at the time of his
World War I service in France. At one time his orUy manuscript was lost and later foimd
behind a coal pile (Ashford, 1985). Richardson (1920) expressed stratified flow stability in a
different form (Brunt 1944, Turner 1973) but clearly did the initial brilliant work on this topic
imder trying circumstances. Despite this, he preferred to defer the honor to Batchelor or other
giants of the time — not wishing to be elevated to the status of Sir Osborne Reynolds.
B. Statistical Relationships
A significant breakthrough cxrcurred in solving the fundamental flow and transport equa
tions in the late 19th century when Osborne Reynolds noted that a conceptual simplifica
tion was possible. That simplification is based on the idea that instantaneous velocities are
composed of two components, a mean or average motion on which are superimposed fluc
tuations or deviations from the mean. The instantaneous velocities (m, v, and w for the x, y.
and z coordinates, respectively in L T"*), constituent concentrations (C in M L-®) and tem

peratures (T in degrees) are therefore expressed as
u = u + u' (53)
v = v + v' (54)
w=w+w (55)
C = C+C' (56)
and
T=T +r (57)
where u, v, w, C, and T are instantaneous values. The overbars represent mean values, and u',
o', v f, C and 7* are the fluctuations or variation about the mean, as illustrated by Figure 15
for the vertical velocity u For completeness, note that source and sink terms in the basic equa
tions must also be expressed in terms of mean and fluctuating vcdues and this follows the
same form as Equations 53 through 57. The fluctuating quantities have the same units and
dimensions as the mean and instantaneous quantities, to which the quantities correspond.
FIGURE 15
Velocity fluctuations at a fixed point.
The mean value of the variables can be computed from their instantaneous values as
(58)
V = — — [ vdt (59)
w
■A) wdt (60)
= ^ — \cdt (61)
and
'—I Tdt (62)
where Î2 - is a long period compared to the time scale over which turbulent fluctuations
occur. For the analysis of transient problems, ¿2 - fi must be small in relation to the time
scale over which mean flows occur (Rodi 1980). By definition, the average of the fluctuating
terms («', v', w', C and T ) must be zero, as shown by
«' = - ^ Î u ' i i f = 0 (63)
v' = - ^ \ v ' d t = 0 (64)
w' = — — f w'dt = ( (65)
^ ic 'd f = o (66)
and
= ir d f = ( (67)
Statistically equations 63 through 67 state that, on average, turbulent intensity is by def

inition zero. However, some measure of hurbulent intensity is needed. The most common
measure is the root mean squcire of the fluctuations.
V (c f (68)
and
(69)
which have the same dimensions as the instantaneous values, are non-zero values when
the flow is turbulent (Smith 1975). Turbulent intensity, normally expressed as a fraction of
the mean velocity ^ A j ^ about 1 to 10% for parallel, boimdcuy-layer-type flows
(Bird et al. 1960, Schlichting 1979). The Reynolds equations of transport and motion in
Table 2 are derived by substituting the expressions for the instantaneous variables given in
Equations 53 through 57 into eadi term of the equations in Table 1. Since the averages of
the fluctuating terms are zero, the p<ufial derivatives contaiiung the fluctuating quantities
equcil zero. Exceptions occur where the product of two simultaneous fluctuating terms
(e.g., u'u', mV , mV ' , v'v', v'w', w'w', u'C , j/ C , w'C , u'T , v'T , and w'T) occurring in the
advective terms, are averaged.
TA B LE 2
Reynolds Averaged Equations of Motion and Constituent Traiwport
C ontinuity
du do du)
— + — + — =q
d x d n d l
C o n stitu en t T ransport ^ ^„^) d{vC ) d(w C ) d — d — d —
— -----------------------------------------------II C -------V C -------tu C +
dk dx djf dl dx dy dl
d(uu) d(pu) d(wu) d — d — d —n
----------------------------------------- u u ------- v u -------V) u +
dt dx dy dl dx dy dl
d ( du\ d I du\ d / du\
y direction:
do d(u v) d ( w ) d(iov) d — d — , d -7 -;
-----------------------------------------u v -------v v -------w v +
dl dx dy dl dx ^ dz
d ( do\ d I do\ d / A»\
z direction:
du) d(uw ) diviv) d(w w ) d d -7 -; d
— ----------------------------------------------- u w ------- v w -------WV) +
dt dx dy dl dx dy di
dx’ dy\ dy! ¿k' d l' *

E quation of State P = t(C ,T )
The resulting equations are written in terms of mean values, and are known as the Rey
nolds equations or sometimes as the Re)molds-averaged equations. While the form of the
instantaneous continuity equation is not different from the averaged continuity equation,
the momentum and constituent transport equations in Table 2 contain new terms for the
averages of the cross-products of the fluctuating terms:
i / i / , t / x / , U v f , x i i f , o'«/, «/a/, l i e , i/C, anda/C (70)
Note that in Table 2 the overbars for the mean values have been dropped for convenience.
Hereafter in this text, the symbols a, v, w, C, and T, along with the similar terms for sources
and sinks, will represent mean values.
For a more general case where flows may be stratified and buoyancy must be taken into
account, the water continuity Equation 43 can be rewritten with mean-flow variables as
d(p) d(pu) (9(pp) d(pw) ^

(71)
dt dx dy dz
where the form is the same as the form of Equation 43, but mean-flow variables are used in
place of instantaneous variables. The momentum equations in the x, y, and z directions are
d{pu) _ d{puu) d{puv) d{puw) d[pu'u"'j d{^pu'w'^

dt dx du
dy dz dx
^ dy dz
d d{u) d d d{u)
L ^ ")l
'^dx ^ d x ^ d y ^ dz ! " d z (72)
d(po) _ d{pou) d{pov) d{pvw) ^(pa'«') ^(pa'a') ¿(pa'a;')

dt dx du
dy dz dx cV
dy dz
d d{v) d d(v) d 5(a)

^ A + pgy
^ dx dx \^ d y L J ^ ^
dz dz \ (73)
and
d{pw) _ d{pwu) d{pwv) d{pww) <5(pa;'M') ^(pw'a'j d{^pw'w'^

dt dx dy dz dx dy dz
d
+—
dx dx y dy (74)
The constituent transport equation is written as
d{pC) d{pCu) d{pCv) djpCw) d(pC'u') d[pC'v') d(pC'w')

dt dx dy dz dx dy dz
(75)
The heat transport equation is written in the same fashion, but T is substituted for C and
the coefficient of heat diffusivity is used in place of molecular diffusivity.
C. Turbulence Closure
The equations presented in Table 2 are still exact. The instantaneous variables have just
been expressed in a different form. However, the equatioirs no longer represent a closed set.
Reynolds averaging has introduced unknown cross correlations between the fluctuating
terms (Rodi 1980). Finding a way to close the Reynolds equations by mechanistically
describing these turbulent correlations or stress terms is the turbulence closure problem.
The turbulence closure problem has been extensively pursued during this century, espe
cially over the last several decades during which time considerable progress has been
made. An overview of some of the methods presently used for turbulence closure is pre
sented in Chapter 13. This section will focus on one of the conceptually simple tedmiques
to provide a point reference in introducing other concepts.
One of the earliest methods used to close the Reynolds equations is based on an analogy
between momentum transport in viscous, laminar flows and momentum transport in tur
bulent flows. The analogy was introduced by Boussinesq in 1877. A similar analogy is use
ful for molecular diffusion and turbulent transport of water quality constituents, and for
thermal diffusivity and the turbulent transport of heat energy.
Recall that the conservation of momentum equation is a force balance based on Newton's
second law. Consistent with Newton's second law, note that the turbulent fluctuations are
stresses in a flow. Since the averages of the fluctuating terms represent a change in motion
of the fluid transported by these fluctuations, these terms must represent a shear force or
stress (Smith 1975). Thus, the averages of the turbulent fluctuations, when multiplied by
density, physically represent the tr<insport of momentum, heat, and constituent mass due
to turbulent or fluctuating motion (Rodi 1980). These stress terms are usuadly called turbu
lent stresses or Reynolds stresses. For example, the stress terms in the x-direction momen-
tiun equation are
t„ = - p m ' m' (76)
T ^ = -p iiV (77)
and
T„ = -pM'a/ (78)
where p is the water density. The overbcu indicates an average of the product of the fluctu
ating terms, and is the stress in the x direction resulting from velocity components acting
in the j direction (/' = x, y, or z) of the flow. The observation that the turbulent fluctuations
are of the form of turbulent stresses provides a relationship between the time-averaged
flow variable and the velocity fluctuations. However, the variable i;y is still an imknown
that must be derived or calculated.
The first method used to derive the turbulent shear stresses t-ywas introduced in 1877 by
Boussinesq, who proposed that the turbulent stresses could be related to the mean strain
(du/dy) by an apparent viscosity term: the turbulent or eddy viscosity. Boussinesq based
the derivation of the eddy viscosity on an analogy with Newton's law of viscosity
du
(79)
where the proportionality constant p is the coefficient of molecular viscosity with dimen
sions M L"* T"' (see section ni.C). Boussinesq proposed that turbulent shear stresses could
be similarly described, as illustrated by
T = —p t / v / = —N — (80)
where is the coefficient of eddy viscosity or turbulent viscosity, which, like molecular vis
cosity, has dimensions of M L"* T"^ The subscripts refer to eddy viscosity in the vertical
direction (2 ) due to a vertical gradient of velocity acting in a horizontal direction (x). The SI
imits for eddy viscosity are N s m*^. In the same fashion, an expression for the turbulent
transport of constituent mass or thermal energy is developed using an analogy to molecu
lar diffusion and thermal diffusivity as
-u 'C ’ = D — (81)
^ dx
-v T ' =D — (82)
»dy
-w 'C = D ^ ^ (83)
oz
-i? r =i í . í (84)
dx
- Í 7 r = fc (85)
-v/T =K ^ (86)
^ dz
where D„ Dy, and are the coefficients of eddy or turbulent diffusion in the x direction, y
direction, and z direction, respectively, and Ky, and Kj are ¿le coefficients of turbulent
thermal diffusivity. The dimensions of D„ Dy, and are T"' and the SI umts are m^ s"*.
Severed different English common units and other unit systems have been used, including
cm^ S"‘, miles^ d"*, nês^ h"’, and ft^ s”*. The dimensions of K„, Ky, and are T"* and the
SI units are m^ s”*.
The relationships for turbulent stresses given in Equations 81 through 86 can be substi
tuted back into the equations of motion given in Table 2. The residting expressions are dif
fusion term s. For exam ple, substituting i/C in Equations 81 through 86 into the
constituent transport equation results in
Í Í E l - A f n í (87)
dx d x [ '■ d x )
40 Hydrodynamics and Transport fo r Water Q m lity M odeling
which is identical in form to the term for molecular diffusion in the x-direction. Substitu
tion will yield similar terms for all of the hubulent stresses and diffusive mixing terms. The
resulting equations then become identical in form to those written for the instantaneous
equations, with all terms representing mean variables and and D, substituted for and
D„. Table 3 gives the resulting equations. In Table 3, the equations are applicable to imstrat-
ified flow where the density is constant throughout.
TA BLE 3
Flow and Transport Equations Written for Mean Flow Variables Using Eddy
\ ^ o s ity and Eddy Diffusion Relationships
C ontinuity
du do du)
— + — + — =q
dxduBi
C o n stitu en t T ransport 9(u C ) ^{vC) d{ivC) d
+ -^ [(d +D )— ]-
dt dx dz árU m
dx x> dr 1
i K ] * ¿ K
du d{uu) d(zm) d(wu) ^ d
dt dx dy dz àc [ ( - t ) l l *
y direction:
do d(uo) d(oo) d(iov) d Tí

dt dx dy dz dx\\ p J dxJ
z direction:
dtp d(uw) d(pw) d(ww) _ d
dt dx dy dz
dyl\ p Jdyj p i dz\ *
E quation o f State p = f(C,T>
Generally, the turbulent eddy viscosities and diffusivities are much greater than the molec
ular viscosities and diffusivities. To put this in practical perspective, consider a person smok
ing in a closed room with no turbulence and no advection or consider the introduction of
perfume into a closed room with quiescent air. The length of time required for the smoke or
perfume to mix over the entire room due to moleculcu mixing alone can be calculated to be
many months depending on the size of the room. However, when there is the slightest tur
bulence — say from a person moving about in the room — the smoke or perfume can be
detected by smell in orüy a few seconds or minutes at the most. Obviously, for this case and
many more practical examples, turbulent transport is more important than molecular trans
port. In water, the coefficients for turbulent eddy viscosity and diffusivity are also much
greater than molecular viscosity and diffusivity (N^-» fi, D ,» D„ and K ,» fcj so that the
molecular tenns are often ignored in the basic equations. To illustrate the disparity, typical
ranges of molecular and eddy diffusion terms are provided in Table 4 and Figxare 16 presents
ranges of eddy viscosity used to calibrate veuious models in comparison with the value of the
kinematic viscosity of water. Only for vertical eddy viscosity, where stratification can com
pletely dampen turbulence, does the range approach the value of the kinematic viscosity.
10
_ JD D Y DIFFUSION:
10
4 _
Horizontal, Surface Waters
10‘ -
- I
EDDY DIFFUSION:
Vertical, Thermocline and Deeper
Regions in Lakes and Oceans
Heat in H 2©
MOLECULAR DIFFUSION
h Salts and G ases In H 2O |
^ — Proteins in H 2O I
Ionic Solutes in
I I t HERMAL DIFFUSION W ~ \
Porus Media
10 - fâltsinH,© I '(Sediments, Soils)
I '
FIGURE 16
Typical ranges of diffusion coefficients for vario u s tu rb u le n t a n d m olecular processes (from L erm an 1971. In
Nonequilibrium Systems in Natural Water Chemistry, ACS A dvances in C h a n is try Series No. 106, H em , J. D. Editor,
A m erical C hem ical Society, W ashington, D.C., w ith perm ission).
TA BLE 4
Comparison of Ranges of Eddy Viscosity Values with the Kinematic Viscosity of Water
V iscosity V alue o r range in m ’ s~* C o m m en ts a n d references
E d d y v isc o sity :^ A ssum ed to be the sam e o rd e r as

H orizontal, N , 10-2 to 102 e d d y diffusivity. Bowie et al. (1985),
Vertical, 1(H to 10-2 NA S (1977), Officer (1979), D yer
Lateral, N , 10-2 to 102 (1973).
K inem atic viscosity of w a ter 1.004 X 10-* a t 20°C M cC utcheon et al. (1993)
* Values from M cC utcheon et al. (1990).

■’ Eionald R.E H arlem an notes in review of M cC utcheon e t al. (1990) th a t th e ranges of vertical
a n d lateral e d d y viscosities are too large to be of use in calibrating m odels b u t these ranges
d o reflect calibration selections a n d d o illustrate the variability involved.
A basic difference between molecular viscosity and turbulent momentum transfer is that
molecvdar viscosity (p)is& property of the fluid (water) while the turbulent eddy viscosity
(Nÿ) is a property of the flow. Simihirly, turbulent diffusion is a property of the fluid motion.
While the m oleailar coefficients {pi, k^, and D J are constant in all directions for a given tem
perature, the turbulent mixing coefficients are often not. The turbulent transfer coefficients
depend on the scale of the turbulent motion, and thus require that different values be spec
ified for each coordinate direction (e.g., and N ÿ D„ Dy, and and i^, Ky, and K^.
More to the point, N^, D„ and fQ are essentially apparent or empirical coefficients derived
by analogy with molecular behavior. As a result, a method for determirring the physical
values of ffiese coefficients is required to achieve the closure of the turbulent flow and mass
transport equations. The approach to determining the values of eddy coefficients is neces
sarily observational in nature, and over the years many empirical and semi-empirical tech-
rüques have been developed from studies of specific water bodies.
Expressions for eddy coefficients have been developed primarily from observations of
turbulence length scales and from other analogies with molecular behavior. Turbulent
length scales have been derived from the size of turbulent eddies that can vary widely in
size, from scales approaching those of molecular motion to that approaching the size of the
water body imder investigation. The wide spectrum of the potential sizes of turbulent
eddies makes measurement difficult. However, a crude but useful approach is to consider
the average eddy size (Smith 1975). This was the approach taken by Boussinesq when he
proposed that turbulent shear stresses could be related to an average mixing length based
on an analogy to the kinetic theory of gases. Later, Prandtl (1925,1926) suggested a similar
expression based on his work in boimdary layers where the molecular viscosity of a gas is
given by
(88)
for which v„„, is the root mean square molecular velocity and is the length of the mean
free path of the molecules or the average distance traveled between collisions. Boussinesq
proposed a similar relationship for turbulent viscosity, as given by
N¡ = (89)
where N, is the turbulent or eddy viscosity in the coordinate direction x, y, or z (M L"* T"*),
V, is the velocity scale (L T"*), and Lj is the length scale of the turbulence in the coordinate
direction i with the dimension L. In Equation 89, the expression for eddy viscosity is sim
plified into an approximate value where N,- = N^.
The mixing length hypotheses of Boussinesq and Prandtl have been widely used to esti
mate both turbulent viscosity and difiusivity. Throughout the remainder of this text, expres
sions will be introduced to estimate these turbulence parameters for various types of flows.
In riv e rs, fo r exam p le, the v elo city scale is o ften tak en as the frictio n v e lo c
ity (« . = -yjgDS^ j and the length scale as the depth, D (m). Therefore, expressions for depth-
averaged turbulent viscosities often take the form
N , = c,pu.D = c , p ^ D ^ (90)
where c, is a dimensionless coefficient that depends on the linear dimensions of the water
body, Sf is the slope of the energy grade line (dimensionless gradient of potential and kine
matic energy of the flow), and g is the acceleration of gravity (m s"*). The shear velocity has
the SI units of m s^'. Similar expressions have been derived for estuciries and other water
bodies. These expressions will be presented in subsequent chapters. Note that the notation
for eddy viscosity switches to a single subscript at this point in the text to denote a verti-
Ccilly, laterally, or horizontally averaged value.
Langth Scale (km)

10 -* 10 - ' 1 10 10* 10» 10»
FIGURE 17
R elationship b etw ee n h orizontal e d d y difhision and
length scale in the ocean a n d Lake O ntario. The envel
o p in g lines illustrate the slop>e o f 4 / 3 (O kubo 1971 and
M u rty 1976 from C hapra a n d R eckhow 1983). Length Scale (cm )
For large lakes and oceans, observations show that the eddy diffusivity varies with the
length scale of the turbulence to the 4/3 power (Richardson 1926). The 4/3 power relation
ship is illustrated in Figure 17 and expressed as
D, = A , h f (91)
where D, is the turbulent eddy diffusivity in m^ S"*, is the length scale in m in the coordinate
direction i (x, y, or z), and A^ 'isa dissipation parameter with the units of m^''^ s"' (L^^^ T-*).
In an unstratified water body, the length scale for mixing is generally the depth of the
water body. In stratified water bodies, Vcdues of the vertical eddy viscosity and turbulent
diffusivity vary dr 2imatically over the depth. If the thermocline or pycnocline is well
defined by strong density differences, the eddy coefficients can drop to zero. As a result,
depth-averaged values may not be useful. To allow for these buoyancy effects, which
reduce the eddy viscosity and diffusivity, semi-empirical relationships are available to
relate reduced mixing to the gradient Richardson number (see Equation 52). The most com
monly used expressions are
N, = (1 -F )3A )- (92)
and
D, = D ^ ( 1 - f W (93)
where R, is the gradient Richardson number, and are the vertical eddy viscosity and
turbulent diffusivity under the same conditions but the flow is unstratified, and a, b, c, a ,
P, and Ç are empirical coefficients defined in Chapter 10. These expressions will be dis
cussed in detail in Chapters 10 and 13 dealing with lakes, reservoirs and estuaries.
In closing this section on turbulence closure, note that only one method has been intro
duced and this is the simplest and oldest in use. Other closure methods are available, some
of which will be introduced in Chapters 10 and 15. However, a complete treatment of these
methods is beyond the scope of this text. For further information, flie reader is referred to
Smith (1975), Rodi (1980), Reynolds (1974), White (1974), Monin and Yaglom (1971), Turner
(1973), and the comprehensive evaluation of turbulence models by the Americém Society of
Civil Engineers, Hydraulics Division Task Committee on Turbulence Models (A SCE1988).
V I. M odel C om plexity: Selection and D evelopm ent

The preceding section introduced the Reynolds-averaged, three-dimensional equations for
flow and water quality. To apply these basic equations to real water bodies, simplifications
and modifications are necessary to adapt to the complexity of each individual system. For
a given setting, some terms in the basic equations are less important than others, edlowing
simplification and a more efficient solution. The important retained terms depend on the
spatial and temporal scales of physiced, chemical and biological processes occurring in a
water body, and the nature of the problem being solved. Practitioners are usually involved
in the application of models to guide water quality management, rather than in develop
ment of models. As a result, two issues require knowledge of modeling complexity: model
development and model selection.
For model selection, many models with differing capabilities exist. A number of these
models are introduced in this text. With the proliferation of models over the last 25 years
(McCutcheon 1989, Orlob 1983), selection can be a difficult professioncd responsibility.
Comprehensive guidelines on model selection do not exist. Only limited guidance and
selective, special-purpose reviews are available (e.g., McCutcheon et al. 1990, Paul et al.
1988, Richardson et al. 1988, Martin et al. 1991, Wu et al. 1994, Ambrose et al. 19%). Peer
reviews of simulation codes and documentation are quite rare (McCutcheon 1981,1983a,
1983b, 1989, N C A SI1979,1980a, 1980b, 1982, Johnson 1981). Guiding principles for model
selection that do exist are simple rules of thumb that are, in some cases, out of date. The
oldest and often misused guideline is to use the simplest model available that can ade
quately resolve the problem of interest. However, the relationship between assumptions
made to develop a computer code and simplicity of application is not straightforward. Sim
ple computer models do not necessarily lead to the most efficient or even appropriate
application (NCASI 1982).
Oversimplification can result in a simulation code that is far removed from the physical,
chemical, or biological characteristics of water bodies. Oversimplified computer codes
involve empiricisms and approximations that must be calibrated with extensive data to
describe fully the water body of interest. Models that are too simplistic involve too few cal
ibration parameters. These parameters lump together the effects of more than one process,
losing physical meaning and the capability to aid in reliable prediction. As a result, over
simplification can actually increase the vmcertainty, complexity and costs of a model appli
cation, since a large am ount of data is required to estim ate the lum ped em pirical
coefficients. VNflthout physical meaning, lumped parameter calibrations degrade to a curve
fitting exercise. However, the most significant problem with oversimplification is the
severely limited reliability of model prediction and forecasting for effects of environmental
controls and other management practices. Harleman (1992) has been a particularly steady
voice in warning of the follies of oversimplification.
On the other hand, a model that is too complex also introduces problems, particularly
where the increased complexity introduces uncertain model parameters. If a model has too
many parameters that must be selected, the calibration process can degrade into a different
t)^ e of curve-fitting exercise. When the number of parameters exceeds the types of data
needed to define the parameters in physical terms, the resulting calibration is ambiguous
or lacks uniqueness. In such a curve-fitting calibration, the modeler may fail to discern the
important flow and water quality processes. Many parameters of different types also
require statistical testing of goodness of fit, and these statistics can be difficult to distill into
estimates of model reliability unless the tests are carefully formulated. Cause-and-effect
relationships are not always clearly defined when using statistical tests of model reliability.
An associated problem is that the modeler may forget to compare simulations with indi
vidual data intrinsically to gauge the accuracy of data and to find out the relationship of
data collected in different areas at different times.
For models with too many parameters, statistics for goodness of fit do not meaningfully
aid in characterizing the mechanisms controlling water quality. Parameter characterization
for complex models may also require measurements that are expensive or not commonly
available. ITierefore, the simulations are less certain, as illustrated in Figure 18. As a result,
the principle o f parsim ony should apply: model calibration and validation should be
attempted with the fewest possible parameters (Thomann 1992, Great Lakes Program
1993), with the corollary that the parameters should be physically meaningful and clearly
divine the important imderl)dng processes for the water body of interest.
Therefore, modelers should not continually think of ratcheting down model complexity.
Neither should modelers optimistically build in complex forecasting tools when available
data is inadequate to define the physicd significance of each parameter to which the simula
tion may be sensitive. Like all things in life, a balance is required between model reliability,
data collection, and model-calibration effort. It is this balance for which modelers must strive.
The common wisdom has been that, as model complexity increases, data requirements
increase. As Figure 18 clearly shows this is a simple fallacy over the complete range of
aC
e
B
o
*3
cr
£
Q
Model Complexity or Number of Calibration Parameters
FIGURE 18
R elationship betw een m odel com plexity ve rsu s xm certainty (or reliability) a n d d a ta requirem ents. T he nu m b ered
p o in ts illustrate th e develo p m en t of stream tem perature m odeling.
modeling technology available. Temperature modeling in streams is the prime example.

Early stream-temperature correlations with air temperature of drca 1950 (Velz 1970) were
quite imprecise or unreliable (± 4°C) for a given day and normally involved extensive
measurements of air and water temperature (approximately 10 years of daily or monthly
temperatures). This state of the technology is represented by point one on Figure 18. By
the late 1960s, complex heat-balance models were possible. These models required exten
sive measurements of solar and long-wave radiation, cloud cover, air temperature,
stream depth, width, flow rate, and a host of other meteorologie and hydrologic param
eters (Parker and Krenkel 1969). We estimate that these early mechanistic models were
reliable to approximately ± 2°C and required less data than the early air-temperature cor
relation, putting the state of the technology at point two on Figure 18. Current models
like QUAL2E (Brown and Barnwell, 1987), MNSTREAM (Gulliver et al. 1995, Sinrot and
Stefan 1992), SNTEMP and similar models are more reliable (^ ± 1°C) and no longer
require intensive radiation measurements. Solar and long-wave radiation are now reli
ably predictable given latitude, longitude, day, hour, cloud cover, air temperahue, and a
few other data readily available at local airports by the N ational Weather Service
(Roesner et al. 1973, 1977). Except where evaporation is im portant, calibrations are
almost imnecessary in these physically based algorithms. As a result, the state of the art
in water-temperature modeling has progressed from point one on Figure 18 to point
three. If atmospheric modeling were required to simulate cloud cover, the state of the
technology would initially be at point four on Figure 18 until more is known about sim
ulating cloud formation and movement. This historical review of stream temperature
analysis illustrates that the balance between model complexity, data requirements, and
reliability shifts as a modeling technology undergoes development.
Figure 18 also highlights our perception of the difficulty in seeking the simplest model
available for a given problem. Several reviews, including peer reviews of models (e.g.,
McCutcheon 1983a, 1983b, 1989, N C A SI19 7 9 ,1980a, 1980b, 1982, Ambrose and Roesch
1992, Ambrose et al. 1982,1996, Harper 1971, Lombardo 1973, V\filey and Huff 1978, Bauer
et al. 1978, Dortch and Martin 1988, Zison et al. 1978, Bowie et al. 1979), prove that a precise
optimum balance between model complexity, data requirements, and reliability is difficult
to achieve. See the broad optimvun range illustrated in Figure 18. Models have so much
flexibility, which is different for different water quality constituents so that distinguishing
between models is nearly impossible (McCutcheon 1983a, 1983b). As a result, model selec
tion is dominated by intangiUes like a modeler's experience with a particvilar code or type
of solution, after ruling out imderdeveloped models or error-prone, unsupported models
(McCutcheon 1983a, 1983b, 1989). Finally, the balance among complexity, reliability, and
data collection evolves over time and seems to be a bit different from site to site when the
dominance of water quality processes shifts. For these reasons alone, it has not been possi
ble to do more than qualitatively estimate how practical models are for the management
issues at a given site. Added to the evolving balance is the fact that management issues
mature and evolve for a project as well, making it almost impossible to precisely categorize
the applicability of models for a particular prqect.
To help with this significant and difficult professional task, this section will review some
conunon simplifications and approximations for basic flow and water quality equatioirs
that govern selection and future development. The simplifications that make application
possible are related to the resolution of water quality processes in time and space, and the
numerical techniques used to solve the governing equations.
A. Model Resolution
Models inherently resolve changes in water quality and flow from one state to another over
limited time and space scales. The scales of interest for a particular problem in a specific set
ting vary depending on the unique interplay of physical, chemical or biological processes.
The interplay and relative importance of processes also vary with time at a site. Thus, models
used to solve problems or to provide information for resource decision making, must
describe important processes at the appropriate scales (Chen et al. 1994). Chapra and Reek-
how (1983) relate this process to a photographer focusing a camera to bring different parts of
the field of vision into focus. At times focusing on objects in the foreground may be impor
tant, while at other times objects farther in the backgroimd may be important The focusing
of a camera is an appropriate analogy for model development For mcKlel selection, the best
analogy is the purchase of a camera that can be focused at the scales of interest.
Model selection and development is essentially an iterative process that must relate time
scales, domain, spatial extent and discretization to appropriate water quality criteria or
ecological end points, and the management practice required to protect or restore environ
mental quality. Figures 19 and 20 describe tlus process and Chen (1996) demonstrates the
Accept the proposed BMPs
Revise the proposed BMPs
FIGURE 19
M anagem ent fram ew ork for n o n p o in t source control. N ote; BMP is best m an agem ent practice, MEV is m easu red
en v ironm ental values a n d EEV is estim ated environm ental values. From: W ater Science and Technology, 28(3-5),
C hen, Y. D., S. C. M cC utcheon, T. C. R asm ussen, W. L. N utter, a n d R. F. C arsel, Integrating w a te r quality m odeling
w ith ecological risk assessm ent for nonproint source pollution control: a concepted fram ew ork, 431-440,1993,
w ith perm ission from Elsevier Science Ltd., T he B oulevard, L angford Lane, K idlington 0X5 IG D , UK.
procedure of model selection for salmon-habitat restoration in the Pacific Northwest. The
Grande Ronde River basin in Northwest Oregon suffers from elevated summer water tem
peratures that loll or endanger the chinook and a few other species. Management practices
are limited to reforestation of the riparian buffers to achieve maximum temperatures less
that 16.1°C during the summer, and a seven-day average of daily maximums of less than
14.1°C. Chen (1996) determined that the problem occurred basinwide, requiring a water
shed-scale model. Also, since easily measured bovmdcuy conditions are not available in the
headwaters of the basin, a basinwide hydrologic water balance and heat balance was nec
essary. Annual simulations were required because of the arid, mountainous hydrology of
the basin. This snow-dominated basin receives most of its annual precipitation in the win
ter and spring. The summer base flows are stored as groimdwater during the spring and
slowly released during summer and fall when the highest water temperatures occur.
A o««al i h * p r o p o ia d BMP*
it:
fit
;s
H
iS
iO
FIGURE 20
C oncep tu al fram ew ork for integ ratin g w a tersh e d m o d elin g a n d ecological risk assessm ent. N ote: BMP is b est m an ag em en t practice, DO is dissolved oxygen. (From : Water
Science and Technology, 28(3-5), C hen, Y. D., S. C. M cC utcheon, T. C. R asm ussen, W. L. N utter, a n d R. F. Carsel, Integrating w a te r quality m odeling w ith ecological risk
assessm en t for n o n p o in t source p o llu tio n control: a concepted fram ew ork, 431-440, 1993, w ith perm ission from Elsevier Science Ltd., The B oulevard, L angford Lane,
K idlington 0X5 IG D , UK.) ,3 ’
Therefore, annual moisture accounting was necessary to provide reliable summer flow
simulations. Maximum temperatures occur within a matter of minutes or within an hovir
requiring a one-hour time step to simulate daily maximum temperatures. The stream net
work was discretized reaches of approximately 1 to 10 km based on the availability of data
defining hydraulic processes and shading along the stream. An iimovative linkage with
remote sensing data bases providing shading every 10 0 m may have allowed more
resolved reaches but the hydraulic data on stream depth, width, and roughness was lim
ited. The final calibration seems reliable to approximately ± 2.5°C compared with 8 °C to
10°C temperature violations that currently occur. The reliability is chiefly limited by the
state of the art in remote sensing of riparian stream shading.
7. S ca le s o f In terest
The scales of interest in water quality modeling vary over many orders of magnitude in time
and space depending on the particular problem and setting. Some chemical reactions occur
over molecular length scales in fractions of seconds. Sorption kinetics involves molectalar dif
fusion into aggregate pores with a diameter of approximately 10 to 1000 molecular diameters
(Gschwend et al. 1986). Resource decisions, however, are normally based on changes occur
ring over widespread areas and these changes occur slowly. For example, persistent toxic
organic chemicals naturally degrade in large water bodies over himdreds of square kilome
ters while decades elapse. For a better perspective, consider the spatial and temporal scales
covered by the hydrodynamic processes illustrated in Figure 21.
For comparison. Figure 22 places into context the spatial and temporal relationship of
water quality processes. The important sets of temporal and spatial scales do not always coin
cide — requiring linkage of circulation and water quality models at different scales on occa
sion. Circulation models generally resolve spatial changes over grid sizes as small as 0.5 km
and up to 10 km approximately. Simulations cover areas of several km in length up to approx
imately 500 km. The length of time of simulations is normally limited to several days. More
recently, however, seasonal and armual simulations have been conducted (Johnson et al.
1991,1993). lim e steps t)q)ically vary from one to 60 minutes, depending on grid sizes. It can
be noted from Figure 21 that simulations based on these scales resolve most hydrod3mamic
processes, but not all. Water quality models generally typically only resolve widespread
changes over scales of several km to tens of Ion and time scales are several hours to days.
Since specific problems can involve different processes, simulations are normally tailored to
those corrsidered important. Models do not resolve molecular-scale and intermediate-scale
processes. Instead, those processes that are linear in time and widespread in spatial extent are
taken into account by simulating the average behavior. Molecular and intermediate scale
processes that are spotty in spatial extent are handled by more-extensive sampling and aver
aging the calibration data over sufficient spatial scales to capture the typical condition over
time. Model simulations are interpreted in the same light by appropriately noting that the
uncertainty in point measurements is similar to the reliability of simulations at a point. Sim
ulations normally cover several km to 500 km or so. Simulations can cover critical conditions
over several days but simulations of weeks, months, and years are more typical.
The subject of temporal and spatial scales is introduced here and then discussed through
out this text. In fact, this text is based on modeling scales since models of rivers, lakes, res
ervoirs, and estueuies differ primarily according to the scale of flows in each type of water
body. Molecular processes such as viscous resistance, molecular diffusion, and heat con
duction are the same in each water body.
Although it is a bit out of date with today's emphasis on global climate change, the term
global scale is used to indicate a focus on the entire water body. Global scales refer to con
sideration of the overall circulation in an entire enclosed body of water. The water body can
lOOOOh
-400doys Hydrodynamic
Strotifcatian
DepthScale)
Seosonol
Circulai ion
lO O O h
-40doys Thermal Bor Internal
lOOh
CooMI Jets,
(Width Sode)r-
_____ L
Ccxstol Upwtiling I
ondSInklnB
f
'---------r-
i Kelvin___
Wove», ' “
-1 Topoyophic
J I Wove»
-4 day* (WkHhSeaiel Grov. Tide»
I
Inerhd Motion» Polncore Waves Wlnd
L Set-Up
10 h
s
(0 Seiches
Ih Surges a.
o Pressure
a Jumps
E
.o>
0.1 h
6 min
0.01 h
36s
0.001 h Su rfxe Waves

3.6 s
B rirt-
_ Väisälfi
Turtxjlence
0 .0 0 0 0 lh [Vertical Scoie)
0.36 s
Spatial Scale (m)

FIGURE 21
H m e a n d space scales of som e hydro d y n am ic processes (from Bedford 1985).
vary in size from a pond to a lake or an ocean, as long as the entire water body is simulated.
Alternatively, a study can only simulate circulation and water quality in a limited area of a
water body. Limited area simulations consider only the near-shore region in a lake or ocean,
or a particular embayment of a lake. The primary difference between modeling these dif
ferent domains is that the limited area simulations involve an imaginary rather than a real,
or solid, boimdary that separates the simulated domain from the remainder of the water
body. An imaginary boimdary is an open-ivater boundary.
A model does not simulate the conditions at the open boundary; these conditions must
be properly specified to predict accurately what occurs in the limited area. The boundary
specification can involve complex measurements or simulations with larger-scale models.
For example, estuary models can require elaborate data collection at the seaward boundary
or these conditions at the seaward boundary can be determined by simulating the ocean or
sea to which the estuary is connected. Generally, global-scale modeb involve coarse reso
lution of space and time, whereas limited-area simulations can intensively resolve pro
cesses in time and space.
Open-water boimdaries are normally avoided if possible, especially if the simulated
domain b small with respect to the boundary. A domain b considered small in relation to the
boundary if simulations throughout the domain are sensitive to conditions specified at the
open boundary. For some water bodies like estuaries, there are no alternatives to open-water
10*
(-100 Y)
Anoxia • SOD
Chesapeake
Fnsh
10* Growth SOD
(-400 d) BOD decay
Zog3lli nkton V^litalization Eutro*

vtE and phicati on
Reaeration in
F lytoèlankto i
10^ jG^wth Lakes and
(-4d) Estuaries
SS DO
ot « Szg___
Rivers
u Î
•0^3 10“
Vi
BOO decay
1B 1 Pboioiya.
(2 Plume
10 -^ _ Rear
Dam*
Mixing
Silt
•i|
&.I
10- *
Sand
D is^lution Settling
Spéciation
10-* .
10- * i(r* lOr* 1 0 -2 jq O 102 10* 10*

Spatial Scale (m)
FIGURE 22
Tim e a n d space scales for som e w a te r quality processes. N ote: EX) is dissolved oxygen, BOD is biochem ical
oxygen d e m a n d , a n d SOD is sedim ent oxygen dem and.
boundaries. Nevertheless, the exact location of the open boundary can be selected as far away
as possible to avoid sensitivity to difficult to measure boimdary conditions. Open-boundary
selection also plays a role in defining the reliability of model predictions or forecasts. If
boundary conditiorts cannot be forecast and the domain is sensitive to the estimates of con
ditions at the open boimdary, model predictions are not reliable. Therefore, the prudent prac
tice is to measure existing conditions at an open boundary for an improved calibration, and
simulate larger receiving water conditions to predict conditions at the boundary reliably.
Finally, the problems at open-water boundaries are not unique, just accentuated in most set
tings. The same care is required in selecting boundaries for global models, but physical con
ditions are kinder in reducing the data-coUection efforts required to understrmd the effects of
boundary conditions on the simulated domain.
Circulation models often focus on large-scale motion, although many are formulated from
approximations derived for boundary-layer flow. One-dimensional hydraulics models focus
on boundary-layer flow, which is prevalent in streams. Many box models of water quality
emphcisize average change over large areas.
To gain some perspective on fine-scale boimdary-layer processes not normally simu
lated, consider turbulence generation at a distinct interface or surface of discontinuity
between two fluids having different velocities and densities (Smith 1975). The water sur
face is an excellent example. An important characteristic of turbulence generation is the
formation of waves at the water surface. In the absence of solid boundaries there is little
to inhibit the growth of turbulence resulting from wind. During the occurrence of high
velocity winds, waves grow, become unstable, and collapse (e.g., form white caps that are
similar to the breaking waves at the interface between two liquid layers of different den
sity, as illustrated in Figure 23). The scale of surface waves is on the order of a few sec
onds and a few meters. Wave models exist that are designed to predict the growth and
collapse of these short-period waves. However, most hydrodynamic and hydraulic mod
els of water transport used in water-quality studies are usually designed to simulate only
large-scale, long waves like the tides. These models incorporate the effects of the short-
period wind waves in mixing parameters such as the eddy coefficients.
(a)
FIGURE 23
Kelvin-H elm holtz instability; a) initial w ave foim ation
on a surface w ith velocity discontinuities; (b) progres
sive d istortion a n d collapse of w aves (from Sm ith, I. R.,
1975, Turbulence in Rivers and Lakes, Scientific Publication
N o. 29, Freshw ater Biological Association, A m bleside,
C um bria, U.K. w ith perm ission).
Boimdary-layer models are used to simulate water movement aroimd struchires in the
design of harbors and bridges. These boimdary-layer models are reirely used in water qual
ity studies. The effect of turbulence around structures is included in water queility model
ing with enhcmced eddy mixing coefficients, again ignoring specific boundary-layer
processes. N evertheless, boim dary-layer processes are addressed when necessary.
Advanced sediment transport models (Sheng et al. 1992, Lick et al. 1992) incorporate as
much as is currently known about turbulence formation and transport at boundaries to
simulate the effect on sediment resuspension and the associated contaminant transport.
Limited-area models can also be characterized as near-field or far-field depending on exces
sive momentum of jets and inflows. These categories are distinguished by the disturbance of
the natural or ambient flow patterns. Waste discharges form plumes and jets with excess
momentum and different densities that disturb the ambient natural flow field. In a jet dis
charge the initial mixing is dominated by the momentum of the jet, while in a buoyant discharge
the differences in density dominate mixing and flow patterns near the discharge point.
After some time, or some distance from the point of discharge, the excess momentum of
the inflow is dissipated. After dissipation of momentum and density differences, ambient
flow conditions control transport and mixing of the discharge. The region in which the
momentum and buoyancy of the discharge dominate is the near-field, while the region
where the ambient flow conditions dominate is the far-field, illustrated by Figure 24 for a
submerged, buoyant discharge. The initial mixing is important because of the control over
the initial dilution of the discharge and the effects on ambient water quality. Discharge
structures like diffusers can often be designed to enhance initial mixing.
Plan View
FIGURE 24
N e a r a n d far field regions in uniform am bient flow of velocity u„ w here h is th e d e p th of flow a n d h, the h eig h t
of th e diffuser off th e bottom (from A kar a n d Jirka 1990).
The effect of a jet or buoyant discharge can also be transient in addition to occurring
over a limited distance. As a result, simulation of near-held mixing requires different spa
tial and temporal resolution from that used to resolve ambient flow conditions. Thus, a
model designed for large-scale ambient flow conditions will not adequately resolve the
effects of discharges in the near-held. For a better overview of near-held mixing and the
appropriate means of analysis, refer to Holley and Jirka (1986), Jirka et al. (1990), and
Akar and Jirka (1990).
2, Time Variation
Hydrodynamic time scales vary from milliseconds for local turbulence to minutes or hours
for rapidly varying Hood waves to many days for residual circulahon in large water bodies.
Time scales for water quality processes range from milliseconds for chemical reachons to
decades for the degradahon of persistent organic materials that sorb strongly to sediments.
The scales are rarely consistent and thus can cause signihcant conceptual problems in linking
the different types of models together. This is especially true for hydrodynamic, sediment
transport, and water quality models.
Some modeling approaches ignore variations in time. For "long" periods, some how and
water quality processes approach equilibrium where changes no longer occur with respect
to time. This eqtiilibriiim is the steady-state condition. Ehiring steady-state conditions,

accumulation is zero, or
diC A x d y d z) , .
^ ------ - = 0 = ± Transport ± Sources/Sinks (94)
at
where C, is the concentration of an arbitrary water quality constituent or intrmsic property.

The concept of an equilibrium or steady-state condition is useful in many fields. Engi
neering statics for example, is based on steady-state or static solutions to Newton's laws of
motion. Qiemistry and thermodynamics use a steady-state or potential state of systems to
analyze environmental processes.
The steady-state assumption has the advantage of making the governing equations
much simpler to solve. While true steady-state conditions rarely occur in nahue, a steady
state is a good approximation of many conditions. The steady-state assumption is also
effective when estimates of time-averaged conditions are useful.
The relationship between an ideal steady-state respor«e and typical dynamic responses
of natural systems is illustrated in Figiue 25. The observed data are shown as a fuzzy band
OBSERVED
TIME SCALE 2
TIME SCALEI
STEADY-STATE
FIGURE 25
Hyp>othetical freq u en q r d istrib u tio n o f observed a n d sim ulated w a ter q u ality show ing the relationship b etw een
djm am ic observations, d)m am ic sim ulations resolving processes o v er tw o tim e scales and the steady-state (from
USEPA 1992).
to reflect the uncertainty in m easurem ents. Over short periods, the w ater quality
response of a stream, lake or estuary can approach the horizontal probability distrbution
that represents a steady state. Another important relationship from Figure 25 is that when
dynamic models are needed, these models can never capture the full response of natural
systems, first because models are by deflnition only approximations of a natural system,
and second, most models are limited in the temporal resolution selected in solving the
governing equations. The two distributions in Figure 25 between the natural distribution
and the steady state employ two different time steps to resolve changes in water quality.
The model using timescale 2 more finely resolves time than does the model based on
timescale 1. How well a model must approximate continuous variability in nature dic
tates how small the time step must be. If a wide range of natural variability must be sim
ulated, then small time and spatial discretization must be used in solving the governing
equations. As time and space are more finely resolved, the probability curves in Figure
25 representing dynamic models rotate closer and closer to the slope of the observed
data, but never reach the same location.
Fundamental Relationships fa r Flow and Transport 55
3. Sp a tia l D im e n sio n s fo r S o lv in g the G o v e rn in g Equations

While the three-dimensional governing equatioirs have been known since the 18th century,
orUy relatively recently have computers and numerical solutions made general solutions
possible. To achieve a practical solution, available models were generally averaged over
some spatial dimension. Even now, these averaged models remain adequate for many
applications. The types of models that have resulted from the spatial averaging are illus
trated in Figure 26. The governing equations for each type of averaging are provided in
Chapter 10 for laustrine applications and Chapter 15 for estuarine applications.
3-D
FIGURE 26
Spatial d im ensions of surface w a te r m odels. (A dapted from M artin et al. 1990.)
Averaging the equations over the entire volume of the water body results in a zero-dimen
sional model. There is no equation of momentum in the zero-dimensional sense, leaving
only the volume-averaged equations for continuity and constituent transport. The volume-
averaged continuity equation is the basis for the stream and reservoir hydrologic routing
models discussed in Part II. The zero-dimensional constituent transport model is the basis
for the input-output water quality models that have been applied successfully to the man
agement of many water bodies including the Great Lakes (see for example Chapra and
56 Hydrodymmics and Transpoñ fo r Water Quality Modeling
Reckhow 1983). The zero-dimensional model also forms the basis for the so-called "box"
constituent transport models, such as EPA's WASPS model (Ambrose et al. 1993a and
1993b). The "box" models essentially allow the stacking, or superposition, of boxes around
each other so that the output from one "box" becomes the input to the adjacent box, allow
ing the boxes to form one-, two-, or three-dimensional networks.
A second type is the one-dimensional model. If the averaging is over the cross-section, the
result is a one-dimensional, longitudiiud model. Rivers and streams, as discussed in Part
n, often exhibit variability along the longitudinal axis, and are often represented as one
dimensional systems. In contrast, many lakes and reservoirs seasonally vary in vertical
derrsity and water quality, while horizontal variations may be small. Such is the case for
water temperatures of some lakes since surface heat exchange is relatively constant over
the horizontal plane. Lakes and reservoirs have corrunorüy been characterized using one
dimensional vertical models resulting from averaging over the horizontal area. One
dimensional vertical models of lakes and reservoirs are discussed in Peirt HI.
Similarly, two-dimensional models can be depth-averaged or laterally averaged. Vertically,
or depth-averaged models resolve differences along the width and length of a water body.
Laterally, or width-averaged, models resolve differences along the length and depth of a
water body. Two-dimensional depth-averaged models are commonly used in relatively
shallow water bodies with large surface areas, such as some estuaries. Two-dimensional,
width-averaged, models are commonly used in relatively long, narrow and deep water
bodies such as some rivers, lakes and estucuies. Two-dimensional models are discussed in
Part III on lakes and reservoirs and Part IV on estuaries.
Dimensional averaging places definite limits on the processes that models can resolve.
For example, a one-dimensional (longitudinal) model does not simulate certain processes
such as interned waves thermal stratification, etc. Table 5 lists hydrodynamic models and
the processes that can be included (resolved) by the model equations.
One- and two-dimensional models are based on the practical observations that condi
tions averaged laterally and vertically over the cross-section of a stream, laterally and
longitudinally over a horizontal layer of a deep lake, laterally in longer, deeper lakes and
estuaries, or vertically over the depth of a shallow estuary or lake, can be used to repre
sent critical conditions. In many cases, one- and two dimensional models are clearly
applicable. In a few cases, only a three-dimensional model is useful. In between is a sig
nificant area of uncertainty about which types of models are applicable. Some trial-and-
error testing and professional insight is critical to select models of adequate dimérisions
for a particular problem, at a specific site. Although complete mixing to achieve homog
enous conditions in the dimensions to be ignored is rarely required or achieved, profes
sional judgements tend to be based intrinsically on the length and time scales required
for mixing to occur. Yet this practice does have at least one strong point. The maximum
length and time scales (for mixing in the dimensions over which averaging occurs)
become the minimiun length and time scales that the selected model can resolve (Bedford
1985). Table 6 provides formulations to estimate the distance and time required for mix
ing to occur in channels of regular cross-section. The length and time scales for mixing
are less in irregular channels (Bedford 1985). See Fischer et al. (1979) for a complete
review of the time and distance required for mixing to occur in different settings.
4. M eth o d s to Sim u la te the W ater Su rfa ce

By definition, all surface water models treat flows as open-channel flow s that are open to
the atmosphere, as opposed to pressurized flows in pipes, confined aquifers, and other
TA BLE 5
Model Classification and Effective Transport Processes
T w o-D im ensional
O ne H o riz o n ta l V ertical P la n e T h ree -D im e n sio n a l
T ran sp o rt Process D im en sio n a l P lan e H o m o g en eo u s S tratified H o m o g e n eo u s S tratified
W ind stress X X X X X X
Far-field forcing (coastal X X X X X X
c u rren ts a n d sto rm
surges)
T idal activity som e m odels m an y m odels X X X X
Local turbulence som e m odels X X
R esidual circulation X X P X X X
R iver inflow X X X X X X
Surface slope (set up) X X X X X X
Sea level X X X X X
Velocities
a. Tidal som e m odels m an y m odels X X X X
b. R esidual X X X X X X
c. T urbulent som e m odels X X
Salinity in trusion som e m odels som e m odels X X
Internal w aves P p
T opographic w aves X X X
C oastal jets X X X
U pw elling X
T h erm al stratification X X
Vertical shear X X X X
Inertial m otions X X X
D efinitions: H = hom ogeneous, S = stratified; P = p artially resolved; 1-D = one dim ensional m odel; 2-D = tw o
dim ensional m odels; 3-D = three dim ensional m odel.
M odified from Bedford 1985.
TA BLE 6
Mirumum Time and Length Resolution for Spatially Averaged One-Dimensional and
Two-Dimensional Models
M o d el Process L im itin g S p a tia l A veraging M in im u m L en g th L* M in im u m T im e T*
1-D Transverse m ixing V - (0.1 U Y P)/D , r = (0.1 W ) /D ,

(0.1 ± 50%) < D ,/D u.) < (0.6 ± 50%)
2-DH Vertical m ixing L* = (0.001 U W ) /D , r = (0.001 Efi)/D,
D , = 0.07 Du.
2-DV Transverse m ixing as in 1-D See 1-D See 1-D
D ^ n ition s: 1-D = one-dim ensional m odel; 2-DH = tw o-dim ensional, vertically averaged m odel;
2-DV = tw o-dim ensional, laterally averag ed m odel; D, = average traiw verse o r lateral e d d y
diffusivity; D = d e p th of flow o r d e p th of the deepest layer; u. = shear o r friction velocity = (gD S J "
w here g is acceleration of gravity aird S, is the slope of the chaim el bottom ; D , = average vertical
e d d y diffusivity; U = average longitudinal velocity; IV = w idth.
From Bedford 1985.
settings. However, large-scale flow models differ in how surface pressure and the vari
ations in water surface are simulated. Two approaches have been used to resolve the
horizontal surface pressure differences. First, several flow models do not consider vari
ations in the water surface. The water surface is treated as a rigid lid with no vertical
motion (i.e., no waves) but Vciriations in the surface pressure are simulated. This method
accounts for the pressure distribution in the momentum equation properly but intro
duces errors in the conservation of water mass or continuity equation (ASCE 1988). The
rigid-lid approach was extensively used in simulating deep lakes and oceans where
veu'iations in water surface elevations were negligible compared with the overall depth.
Some ocean models are still based on the rigid-lid assumption. A review of the validity
of the rigid-lid approach is given by Bennett (1974) and Haq and Lick (1975). A more
common approach is to treat the water surface as a free surface that can freely move up
and down and where pressure at the water surface is atmospheric pressure at all loca
tions at all times. These two approaches will be discussed in greater detail in Part IV.
5. Tu rb u le n ce P a ra m eterization
Models are also classified according to how turbulence closure is achieved (see section V.C)
in solving the Reynolds-averaged equations of continuity, conservation of momentiun, and
conservation of constituent mass or heat. The turbulence closure equations, spatial resolu
tion, and discretization in time define how well the effects of tiurbulence and mixing can be
simulated. Turbulence closiue methods include simple eddy viscosity methods reviewed
briefly in section V.C. This method is a zero-equation model (Rodi 1980). Part IV also intro
duces one-equation, two-equation, and turbulence-generation and transport models.
In many practical cases, turbulence goreration is simple to parameterize or describe math
ematically. These include river flows dominated by bottom shear, lake epilimiua nuxing
dominated by wind shear, and many other settings characterized by a primary source of tur
bulence in the flow. If the turbulence is then dissipated in proximity to the source before flow
conditions change, then simpler eddy viscosity models are useful and appropriate. If the tur
bulence is dissipated under conditions different from the conditions that added turbulent
energy to flow, then the transport of turbulence is important. If multiple sources of turbu
lence cause mixing, then simple zero-equation models are not sufficient to simulate turbu
lence and the effects on mixing and transport Many examples occur, especially in lakes and
estuaries where bottom shearing, wind stresses, seiche or internal waves, intrusions, with
drawals, and other processes simultaneously generate turbulence of different intensity. Tur
bulences are transported to different areas of the water body and the effects com bin g and
dissipated imder different conditions. The simple eddy viscosity approach does not simulate
different sources of turbulence or the transport. In some of these cases, turbulence generation
is small and approximately homogeneous. In other cases, flows are advection dominated.
The movement of water or flow controls changes in water quality. Mixing is a minor influ
ence. Even though tvubulence generation and dissipation are complex, if mixing does not
cause water quality changes, then turbulence modeling is not important. In advection dom
inated flows, the turbulent mixing terms in the Reynolds-averaged corrservation equations
(Table 2 or Table 3) can be dropped in total or in part.
An excellent means of determining whether flows are dominated by advection or turbu
lence mixing is to compute the fundamental dimensionless Peclet Number. The Peclet
number P, is the ratio of the advective flux to the turbulent diffusivity flux
L*f***
p _ *~U
(95)
‘ E,
where L, is a characteristic length (dimension L), U the mean velocity in the direction that
the length scale L, is measured (LT"*), and E, the appropriate nuxing or diffusion coefficient
(L^ T-*). If P, is much greater than one, advection dominates. If the P, is much less than one.
mixing dominates. For the vertical Peclet number in unstratified flows, the characteristic
length scale is the mean depth and £,■the vertical eddy or diffusivity (N^, or IQ . In a strat
ified lake, the length sccde would be the thickness of the epilimnion or hypolimnion and the
respective mean velocity of the layer selected. Lateral and longitudinal Peclet numbers are
formulated similarly with the length or width of a lake, river reach, or estuary segment, com
bined with the average velocity in the lateral or longitudinal directions and the lateral or lon
gitudinal mixing coefficients (D^, or and Dy, or ^ ) , respectively. In more-quiescent flows,
the Peclet number is also used to determine the relative effect of advection and molecular
mixing where molecular viscosity, mass diffusivity, and thermal diffusivity are used to rep
resent Ej. When the molecular momenhim flux is represented by the kinematic viscosity, the
Peclet number is exactly equal to the Reynolds number for which the transition to turbulence
is well known. This shows in our general conservation approach to deriving the fundamental
equations; the Peclet number is an expanded form of the Reynolds number.
Another dimensionless pareuneter useful for determining the relative importance of lat
eral, vertical and longitudinal turbulent mixing or the relationship of turbulent to molecu
lar mixing is a ratio of mixing coefficients. These ratios can be useful in determining which
turbulent-mixing terms are negligible for simplifying the governing equations or deter
mining when limited mixing is critical. Vertical mixing in a highly stratified lake or estuary,
for example, can approach molecular mixing and be a critical factor in maintaining an epU-
imnion or upper layer of the flow. In the epilimnion of a lake, the lateral and longitudinal
eddy diffusivities are orders of magnitude larger than vertical diffusivity, but it is the ver
tical mixing coefficient that is important in controlling stratification. Normally, constituents
are assumed to be well mixed in the epilimnion and these turbulent-mixing processes
ignored in favor of detailed characterization of vertical mixing (see Chapter 9).
Usually, N, > Ny > D, > Dy > and K^>Ky>K^ when the water body length > width
> depth, which is true in most rivers and estuaries. These general relationships follow from
Equation 91 in which Richcirdson (1926) foxmd that turbulent mixing coefficients are pro
portional to the length scale to the 4/3 power. In symmetrical lakes, N, = Ny, ~ Dy, and
X , = i^. In stratified lakes, and K„ » K^.
The ratio of mixing coefficients for momentum, mass, and heat transfer are not normally
important in surface water flows except imder some highly stratified conditions where
momentum can be transferred but not mass and heat. But the knowledge that these ratios
are normally equivalent is important to Ccdibrating flow and water quality models. These
ratios are the turbulent Prandtl (Pu), Schmidt (S J, and Lewis numbers (L,) or
P (96)
* PK,
Sc = ^ (97)
^ pD,
and
L = ^ (98)
‘ K:
or
P, = S, = L, = 1 (99)
where N,-, K,, and D, are turbulent eddy viscosity, thermal diffusivity, and mass diffusivity,
respectively, in the coordinate directions x, y, and z and p is the density of water. From a
number of observations, the eddy coefficients in imstratified flows are normally equivalent
(Reynolds, 1974) or N^/p and Ny/p and N ^ /p = K^’^Dp
6. F o rc in g F u n ctio n s o r S o u rce s a n d Sin ks

Sources and sinks are also known as forcing functions since they are the cause of change
in hydrodynamics and water quality. Some of the sources and sinks for water, constituent
mass, heat and momentum were introduced earlier. However, it is nearly impossible to
include all possible sources and sinks in a given model. Thus, the models include only
those terms that are considered important in the applications for which the particular
models were intended. This section reviews some of the sources and sinks that distin
guish different models.
a. Water Mass
Sources and sinks for water mass include evaporation, precipitation, non-point source or
stormwater runoff or even lateral inflow, groundwater inflows and seepage (Figure 27).
Some models do not allow inclusion of the effects of all these processes on the water bal
ance, while others can include all of these processes in a single term that must be input to
the model. Few hydrodynamic and water quality models include formulations for predict
ing the effect of evaporation on the water balance. Even fewer models allow coupling of
surface and groundwater models to simulate exchcmge flows. However, surface and
groimdwater interactions are becoming the subject of considerable research and model
development, due to the importance of predicting the effects of fluctuating water levels on
discharges from waste sites located near surface waters.
NON-POINT
INFLOWS AND OUTFLOWS RUNOFF
(STORMWATER)
POINT SOURCES SEEPAGE FIGURE 27

AND WITHDRAWALS INFILTRATION Sources a n d sinks of w a te r m ass.
b. Momentum
Since the momentum equation is essentially a force bcilance, the sources and sinks of
momentum include forces that induce currents. Some of these forces were discussed in a
previous section and are illustrated by Figure 28. However, it is often not necessary to
include aU of these forces in a particular application.
FIGURE 28
Sources a n d sinks o f m om entum .
To illustrate, the sources and sinks SS in the x, y, and z coordinate dimensions can be writ
ten as
( 100)
(101)
(102)
where p is the water density (M L"®), p is the mean pressure (M L*' T"®), g is gravitational
acceleration (L T‘®),/is the Coriolis frequency (T‘ *), and U, and liy are the mean velocities
(L T"*) in the x and y directions. The first term in Equations 100-102 is the force due to pres
sure, and the second, in the z and y directions (Equations 100 and 101), is the force due to
the earth's rotation (the Coriolis force). The second term in the z direction (Equation 102) is
the gravitational force. In all but the largest water bodies, the Coriolis force is unimportant
and omitted. The relative importance of the Coriolis force can be determined from the
dimensioiUess Rossby number (R^), given by
(103)
where li« is the mean velocity in the horizontal plane (L T'^),/the Coriolis frequency (T"^),
and L, the horizontal length scale (L). The Coriolis frequency is approximately 1 x KH s"*
at mid latitudes (see Chapter 12 for more explanation). If the Rossby ntimber is small (R„ <
0.1), then the Coriolis force is important.
The terms included in the surface pressure can vary between models. For example, some
models designed for application to large water bodies simulate the effect of horizontal dif
ferences in atmospheric pressure, while this may be unimportant in smaller water bodies.
Some models are based on the assumption that the sources and sinks are in equilibrium
so that all terms in the momentum equations (e.g., accumulation, advection, and mixing
terms) except for the source and sink terms are considered negligible. For example, the sim
ple one-dimensional steady-flow models and the unsteady flow kinematic wave models
discussed in Part II are based on such an assumption. Similarly, in many three-dimensioned
or two-dimensional, width-averaged, models it is assumed that vertical momentum is neg
ligible so that the verticed momentum equation can be reduced to
= -p g (104)
dz
which is called the hydrostatic approximation. The use of the hydrostatic approximation
instead of the full vertical momentum equation greatly simplifies model formulations.
However, the use of the hydrostatic approximation precludes simulations where vertical
acceleration is important, such as in simulating a subsurface jet.
c. Constituent Mass
Sources and smks include loads of constituents entering and leaving plus the reactions and
transformations that degrade or produce constituent mass internally. The internal reactions
and transformations, plus mass exchange between the water and atmosphere, and water
and benthos are the water quality kinetics of a model. The remaining sources and sinks are
loads or loadings. Loads, both gained and lost, arise from point sources, nonpoint source
or diffuse pollution, tributary inflows, outflows, withdrawals, and grovmdwater seepage.
Figiue 29 illustrates most of the important kinetic processes and loads that control concen
trations of hydrophobic chemicals (those that have a high affinity to sorb to solids).
Many water quality constituents are linked in important materied cycles. A constituent
like nitrogen is transformed from organic nitrogen by hydrolysis into ammonia and oxi
dized into nitrite, then nitrate. Algae take nitrate and ammonia as nutrients and create
organic material or orgamc rütrogen that is transformed back to ammonia after death and
lysis, to complete the cycle. Therefore, a mass balance for anunonia must be linked with
those for organic nitrogen and nitrite, and indirectly with the nitrate mass balance. Cycles
for oxygen, other nutrients such as phosphorus, algae, and organic matter must be linked
as well in a complex material cycling web.
Four factors are needed to describe kinetic processes: (1) reaction stoichiometry and
molecular formula of the veuious form of a constituent, (2 ) rate and order of reaction, (3 )
pathways, and (4) interactions and liidcages with other constituent mass balance equations.
Stoichiometry defines quantities in reactions (Dickerson et al. 1970) and therefore requires
that the chemical equation of the reaction be known. For example (Krenkel and Novotny
1980),
2N H : + 3 0 , 2NO- + 4 H * + 2 H , 0 (105)
S’
3
§•
>3
i-
n-.
a*
‘S '
ao
3
CL
*«
I
FIGURE 29
Sources a n d sinks o f a h y d ro p h o b ic organic chem ical (from USEPA 1991). N ote: H A = a d d . A ' = d issa ss o d a te d a d d ion, a n d , = hydrogen ion.
$
where stoichiometry reqtiires that two moles of nitrogen be contained on both sides of the
equation to balance the chemical reaction equation. Six moles of oxygen and eight moles of
hydrogen must be contained on both sides of the equation. This reaction was defined by
observations in the laboratory and field where quantities or masses of ammonium (molecular
formula = NH4+), nitrite (NOj"), oxygen (Oj), and hydrogen iorw (H^ usually measured as pH
or the -log[H"^]) were measured. In natural systems however, many compounds have
unknown or variable molecular formulas. The widely measured water quality parameter,
dissolved organic carbon for example, includes a variety of chemicals ranging from hydro
carbons, amino acids, carboxylic acids, carbohydrates and other compounds (Thurman
1985). An "average" stoichiometry can be defined and used to great advantage, but the aver
age may vary a bit from application to application, depending on the natural history of
organic carbon at the site. The types of plw ts, phytoplankton and bacteria that produce
organic matter vary in occurrence and extent. Each species of primary (plants and phy
toplankton) and secondary (bacteria) producers of biomass have unique processes that result
in a slightly different stoichiometry for carbon, oxygen, hydrogen, nitrogen, phosphorus, and
trace elements. This stoichiometry is not well defined for each species and also slightly vari
able from organism to organism. Thus, models can occasionally allow users to specify and
adjust the stoichiometry when classes of compovmds are involved.
Second, the order and rate of reactions must be known to quantify sources and siirks.
Three kinetic relationships that are typically used are
Zero Order : \rtaction

=K (106)
dt
(107)
dC
Second Order: = (108)
where K ^ is a rate constant that has dimerrsions of M L*® T"* for the zero-order rate, T”' for
the first-order reaction, T"* for the second order rate and C is the concentration of
constituent i (M L"®). The use of a zero-order rate says that the time rate of change of a con
stituent is constant (produces a constant change in C with time). The zero-order reaction
continues imtil the constituent is completely depleted. The first-order reaction depletes a
constant percentage of a constituent with each period of time that elapses (an exponential
change). The second-order rate indicates that the rate of change is dependent on the con
centrations of two separate constituents and is thus nonlinear. The zero- and first-order
rates are much more commonly used than the second-order rate, although several nonlin
ear kinetic formulations are used in water quality modeling.
The most common nonlinear kinetics formulation is based on Monod growth kinetics for
microorganisms (O'Connor et al. 1976, Grady and Lim 1980) or
5X.
(109)
dt K, + C
and
æ fcX„C
(110)
dt ' y(K.+c)
where Xy is the concentration or number of microorganisms per unit volume (M L"^), C is the
concentration of a water quality coirstituent that microorganisms use as a substrate or food
source (M L"®), is a growth-rate constant (T”*), is a half-saturation constant effectively
defining when the substrate C is available in excess or in rate limiting quantities (M L^), and
y is a dimensionless stoichiometric constant or yield constant defirung the fraction of biom
ass Xy that is constituent C mass. When C » K, or the substrate is available in excess, k is
effectively independent of substrate concentration C and the right-hand side of Equation 110
reduces to a constant when biomass is approximately constant or (kXy/Y). This is zero-order
kinetics. When C « K „ o i the substrate is limiting and the right-hand side of Equation 110
reduces to (kXy/Y)C. This is first-order kinetics. In the same fashion, expressions can be
derived for dilute microoiganism concentrations where the logistic theory of growth applies
(O'Cormor et al. 1976, Grady and Lim 1980).
Third, the pathway of a reaction must be specified if the complete fate is to be simulated.
In advanced models, these pathways are, in fact, definitions of the natural biogeochemical
cycles that make life on this planet possible. For example, a simplified pathway or cycle for
nitrogen in water is given in Figure 30.
TottJ Nitroeen
Time
FIGURE 30
N itrogen (N) c y d e in w a ter a n d the d)nuunic response of luitural w aters to an excessive load of am m oiua and
organic nitro g en w hich are converted to nitrate in a series o f sequential a n d linked reactions. N ote th a t dissolved
oxygen (O J a n d o rth o p h o sp h a te (PO<) are u se d in the reactions w h e n a rro w s p o in t into the c y d e , a n d p ro d u ced
w h e n the a rro w is reversed.
66 Hydrodyrumics and Transport fo r Water Quality M odeling
The final element in specifying water quality source and sink kinetics is specification of
the sequence and linkage of reactions. For the case of nitrogen, first-order reactions of
orgaiüc nitrogen deplete organic nitrogen and add ammonia in the same quantity. This
first-order cascade continues as ammonia is added and depleted, nitrite is added and
depleted, and nitrate builds up and is depleted by phytoplankton uptake. The general pro
cess of live phytoplankton releasing ammonia and dying to form organic nitrogen that, in
turn, releases ammorüa due to decay is usually a first-order process. Many plants and phy-
toplaidcton thermodynamically prefer ammonia uptake to supply nutrients for synthesis
of biomass, so many models proportion the uptake of ammonia and nitrate for nutrient
uptake. There are also linkages with the dissolved oxygen and phosphorus cycles illus
trated in Figure 30 as well as many less significant linkages with many other biogeochem
ical cycles. These elaborate linkages have been worked out for a great number of water
quality parameters. Bowie et al. (1985) and Schnoor et al. (1987) review the state of the art
on constituent linkages. For primary constituents like dissolved oxygen, organic carbon,
rütrogen, and phosphorus constituent mass balances are solved for each constituent. Minor
constituents and parameters can be used only to specify source and sink terms in the mass
balance equations for the major constituents. The choice to solve a coirstituent mass balance
equation depends on how important the parameter is at the site of interest. The choice also
depends on whether predictions are required for the future when the parameter may be
important after other constituents are controlled or removed.
Some constituents do not decay or react at all and thus the source and sink terms are zero.
S)mthetic tracers (dyes) and nahual tracers like chlorides or dissolved solids, for example,
are ideal constituents on which to base the calibration of transport and mixing simulations.
The mass balance equation is a single simple expression of the effects of loads, advection,
mixing and dispersion, and outflows. Constituents that behave in this way are conserva
tive substances (not to be confused with conservative properties).
For many other constituents, the interrelationships can be even more complex than the
nitrogen cycle. For example, the primary sources and sinks affecting organic chemicals
are illustrated by Figure 29. The transport and fate of orgarüc chemicals and metals is
affected by sorption onto solids, requiring modeling of both the chemical and suspended
and deposited solids. Organic chemicals can volatilize to the atmospheric or dissolve into
the water, react in the presence of light (photolyze), or be degraded by organisms (bio
degradation). Some organic chemicals can be added through wet or dry deposition from
the atmosphere.
While the processes affecting organic materials are complex, the interactions between
many conventional pollutants are often more complex, such as in the simulation of phy
toplankton cmd the effect of respiration and photosynthesis on the oxygen balance. Phy-
toplaidcton requires light and nutrients to grow, including both nitrogen and phosphorus.
Thus, models of phytoplankton d)manücs require several mass balance equations, for not
orüy phytoplankton but for each important nutrient and inhibiting substance. These mass
balance equations must be solved simultaneously. However, models differ in the number
of interactions included and in the formulations used to describe those interactions. Only
a limited consensus exists on the best formulations for water quality modeling for the more
complex interactions (Bowie et al. 1985).
B. Solution Techniques
A second means of determining the complexity of models depends on the solution method
used to solve the governing equations. Two solution techniques are used. One is an anal)d-
ical approach and the other a numerical technique.
1. A n a ly tica l So lu tio n s
Analytical solutions are derived from integration or differentiation of an approximation of
the governing equations to obtain a function that is exact and continuous in time and space.
As a result, errors are not introduced by the solution technique itself. Analytical solutions
have not been derived for the general governing equations, only solutions for a few specied
cases normally involving regular, symmetrical geometry for flow solutions, and limited
water quality conditions. Analytical solutions are obtained only after simplificatioiis are
made to the governing equations. Especially rare are exact solutions for the coupled conti
nuity and conservation of momentum equations due to nonlinear terms. These few analyt
ical solutions (Gromiec et al. 1983) are, however, very useful for checking and validating
numerical techniques. In most practical situations, the only solution to the governing equa
tions of motion is through numerical techniques. However, numerical solutions are neither
exact nor continuous in time and space. Approximation errors and discrete solutions are
the price to pay for a general-purpose numerical solution to the basic equations.
2. N u m e ric a l So lu tio n Tech n iq u es

Numerical methods are used to convert differential equations into adgebraic difference
forms that can be solved for unknown values at incremental, finite points in space and
time. Two things are required: (1) the selection of a coordinate system for mapping water
body characteristics and (2 ) a numerical method to convert the equations to a solvable
form. One of the most commonly used numerical methods is the finite-difference method,
in which time and space are divided into discrete (finite) intervals. The pcuiial differential
equations are approximated by finite-difference equations, which are normally solved
using computer programs. Input data for the program are required to define water body
characteristics, initial conditions, and driving forces that cause changes in flow and water
quality. The computer program then solves the numerical equatiorrs, using these input data
to predict depth and velocities or volumes and flows for discrete points along the numeri
cal grid, as illustrated in Figure 31.
FIGURE 31
Steps in m odel develo p m en t (from U SEPA 1991). N ote: h = d e p th of flow, U = flow velocity, a n d Q = flow rate.
The first step in formulating a numerical solution is the selection of a coordinate system
to map, in space and time, the independent variables that define the shape and response of
the water body. The simulated domain over space and time coordinates is defined by a
finite set of discrete points variously called grid points, mesh points or lattice points
(Wurbs 1985). The cartesian coordinate system, by far the most common, maps the simu
lated domain onto a rectilinear grid as illustrated by Figiue 32. All of the equations derived
FIGURE 32
E xam ple of a rectilinear grid in th ree dim ensions (ad ap ted from Johnson 1981).
SO feir in this chapter have been expressed in cartesian (jc , y, and z) coordinates. However,
many models employ a cvirvUinear coordinate system that Holley and Jirka (1986) refer to
as the natural coordinate system. The curvilinear coordinate system is based on transform
ing or mapping cartesian coordinates onto curvilinear axes that bend to follow the natural
curvature of the shoreline and bottom. An example of a good curvilinear grid for a river is
provided in Figure 33. Curvilinear grids are also very useful in lakes and estuaries and will
be discussed in detail in Part IV.
The second requirement for setting up a numerical solution is the selection of a suitable
method for converting partial differential equations to numerical difference equations. A
good illustration is the conversion of the three-dimensional continuity equation to the
appropriate difference form, which is
Au Av Aw
— + — + — = fl (111)
Ax Ay Az
where the A operator represents a difference approximation of the derivative or finite dif
ferences in space and time. Recall that u, v, and w are the longitudinal, lateral, and vertical
(x, y, and z) velocities, and q is the net volumetric influx of water per unit volume.
A difficulty in applying the finite-difference method is the selection of the difference
approximation (d). The difference approximations can take a Vcuiety of forms that influ
ence the results and the stability of the solution technique.
Several of the forms and properties of the difference approximation can be illustrated
using a Taylor series expansion of a continuous function If dx is taken as some incre
ment of X, then the value of the function *i\x) at the location x + dx can be determined using
a Taylor expamsion
dx^ d^'F
•P(x+ dx) = »Fix) + dx ^ ^ •+ L (112)
dx^ 3! ¿tr^
Plan view
Horizontal
coordinate
surfaces
FIGURE 33
O rthogoruil curvilinear coordinate system for a river (from Y otsukura 1977 a n d H olley a n d Jirka 1986).
Solving Equation (112) for the first derivative (d'F/dx) yields
d*F 1 vul » .i(x\)---------

^ ^
'F(x + A x )-V —5----------- (113)
dx Ax ' ^ ^' 21 dx^ 3\ dx^
This expression is exact if all the terms of the Taylor expansion are retained. However, to
obtain a useful approximation, the expansion must be truncated. For example, if the second
derivative and all higher order terms are approximately zero. Equation (113) can be simpli
fied to
dY *F{x + A x )-^ {x )
(114)
dx Ax
which is known as &forward-difference approximation. But note the introduction of a source

of error by neglecting the higher-order terms. The approximation error introduced by
neglecting the higher-order terms is truncation error.
FIGURE 34
n iiistration of forw ard, b ackw ard a n d centered differ
ences.
The forward-difference approximation is illustrated in Figure 34. In the forward-differ

ence approximation given by Equation 114, the slope of the line (d'F/dx) is constant
between x and x + Ac. If *l\x) is a straight line, no error is introduced. If there is curvature
to the line so that the slope is changing, errors will have been introduced by neglecting
those additional terms (by truncating the expansion) that described the changes in slope.
However, the truncation error can be decreased by decreasing Ac. As Ac goes to zero, the
truncation error goes to zero since the assumption of a constant slope becomes valid in the
limit. If the finite-difference solution approaches the exact solution as the finite difference
increment (Ac) approaches zero, the method is said to be convergent.
Convergence can be illustrated using a numerical solution to a process that cmdergoes
simple first-order decay so that the analytical solution is an exponential decrease with time
[e.g. C = Q) exp (-kj t), where kj is a rate constant (T"*)]. Three numerical solutions with dif
ferent time steps (At) are compared to the analytical solution in Figure 35. As the time step
approaches zero, the numerical solution converges on the analytical solution. In the for
ward-difference approximation, the truncation error decreases linearly with the decrease
of At, as can be seen by examining Equation (113) (assuming that the second derivative
behaves normally). This approximation is called a first-order method since the approxima
tion or truncation error introduced is proportional to the step At. For example, if At is
halved, the error in the estimate of the derivative should be reduced by approximately one-
half.
FIGURE 35
E xam ple of num erical convergence o n a n analytical
solution.
Similar to the forward-difference approximation, the Taylor Series can be expanded

backward for the function (x-Ax) to prtûce
A\ \ ^ dV Ax^ ,
(115)
and solved for d'F/dx, after truncation, to yield
d'F •f'(x)-'F (x-A x)

(116)
dx Ax
which is known as a backwcud-difference approximation (Figure 34). Like the forward dif
ference, the tnmcation error (or approximation error) of the backward difference is linearly
related to dx, making it a first-order approximation.
An additional finite-difference approximation can be obtained by subtracting Equation
115 from 112, yielding
y (x + Ax) - y (x - dx) = 2 A x +L (117)
Dropping higher-order terms and solving for the first derivative yields
[y (x + d x )-y (x -d x )]
(118)
dx 2Ax
which is called a centered-difference approximation since it is an average of the forward and

backward differences (thus centered. Figure 34). Examination of the terms remaining in the
Taylor expansion indicates that the centered difference is a second-order method since the
truncation error is proportional to dx^. Therefore, reducing dx by one-half reduces the
approximation or truncation error in the estimate of 3f'/ 3xby one-fourth.
The difference schemes illustrated above can be used to approximate derivatives with
respect to time as well as space, as illustrated in the comparison of nmnerical and analytical
solutions for first-order decay. Various numerical-solution procedures can involve different
combinations of the difference schemes. Difference expressions are discussed in greater
detail in Part II. The Euler numerical expression is introduced in this section.
Some of the properties of numerical-solution schemes using finite-difference expres
sions are best illustrated using a numerical solution of the one-dimensional linear advec-
tion equation
(119)
dt " dx
where ii(x,i) is the loneitudinal velocity (L T"^) varying with distance x(L) and time i(T), Cj
is the wave celerity , which is constant when the depth of flow h{L) is constant, and g
is the acceleration of gravity (L T"^). The linear advection Equation 119 is a transport equa
tion in which there are no diffusion and source and sink terms. One simple numerical
method for solving Equation 119 is the Euler explicit upwind method, which produces the
finite-difference expression
M (x ,f+ d f)-i< x , 0 . _ « ( x ,t ) - « ( x - d x ,f ) „
T Cj ” U (120)
df Ax
72 Hydrodynamics and Transportfo r Wlaier Quality M odeling
using a forward difference for the time derivative and a backward difference for the space
derivative. Rearranging and solving for the velocity at f + df produces
u (x,t+ A t ) - u ( x - A x ,t )
u (x,t+ At) ( 121)
Ax
so the value of u{x,t, + At) can be computed at the new time t + At from the old values of u
at the point in question [u (x,f)] and one neighboring point [ m( x - Ax,t)]- The solution proce
dure would progress as follows:
1) At time t = 0, the initial conditions are specified, not computed to start the
solution,
2) At time t - At a boimdary condition for x = 0 could be specified, and then solved
for u{0 + Ax, 0 + At) using the boimdary condition and information from the
previous time step (f = 0 ).
3) The solution marches along the x-axis of the x-t grid (Figure 36) until values of
u(x,t) tire computed for all values of x at that time step.
4) At the next time step steps 1 through 4 are repeated for the time period of interest.
. (x.f+Af) ^(x+Axf+AO
Af
(X.D ,
Ax
FIGURE 36
Exam ple o f a finite-difference grid for increm ents of
Longitudinal Diatanca, x tim e a n d distance along the x axis.
The Euler upwind difference scheme described above is an example of an explicit solution
method since there is a single independent equation for each new value of the dependent
variables at each spatial point. The solution to explicit schemes generally follows a march
ing procedure as iUustrated above.
In the procedure above a numerical approximation was used to obtain the solution to a
partial differential equation. However, in the development of that numerical approxima
tion, the governing equation was truncated. The truncation resulted in a difference
between the equation to be solved and the difference equation being solved. The equation
actually being solved is a modified equation, and examination of that equation illustrates
the properties of the numerical solution method. For the Euler upwind difference method,
the modified equation can be obtained from the Taylor's expansion for the values of u(x,t)
at each discrete point in time and space using the difference method
du
ou du
au Ax \o u rxx~
Ax^ 7 .d^x
— (1 - c — (2c„ - 3c, -I-1 ) ^ -F HOT (122)
dt dx dx dx^
where c„, known as the Courant niunber or Courant-Friedrichs-Lewy stability criteria (see
Part n), is expressed by
c. = c. (123)
Ax
and HOT refers to the higher-order terms in the expansion. Equation 122 is the actual finite-
difference expression that gets solved. However, the modified equation for the Euler
upwind scheme has a term that looks like a diffusion term (D„ dû/dx^) where = CjAx
(1 - 0 / 2 . The resulting equation is, therefore, an advection diffusion equation rather than
a pure advection equation. This dispersive term reduces to zero when the Courant number
is equal to one. If, however, c„ < 1, the diffusion term is not equal to zero, resulting in dis
sipation, or numerical diffusion (Figure 37). That is: the numerical solution introduced a dif
fusion term into the equation being solved. The magnitude depends on the value of the c„.
The numericeli amplification and dissipation can be controlled by controlling the value of
c„. However, this is often tricky in dynamic models.
T IM E
a) N um erical dissipation
FIGURE 37
E xam ples o f num erical d issip atio n a n d num erical stability.
Another property of numerical solutions is stability. If the Courant number c„ > 1 in Equa
tion 12 2 , amplification wiU occur in the numerical solution, which will cause the solution to
become unstable (Figure 37). That is, any perturbation will result in numerical oscillations
that can grow imtil predictions go toward positive or negative infinity. In some cases, the
oscillations may be transient. The oscillations may go away (see case A, Figure 37), but the
numerical solution is usually meaningless when oscillations occur.
The Euler upwind difference scheme is classified as conditionally stable, since it will pro
duce stable answers as long as c„ < 1. However, other combinations of difference expres
sions are not stable at all. For example, the "downstream" method, which is written as
w ( x ,t + 4 f ) - « ( * ,i) . ^ u { x + /ix .t ) - u ( x ,t ) „
(124)
At * Ax
and "central space" method
_ u (x ,t+ A t) -i^ x ,t ) _ _ i4 ,x + A x ,t) -u (x -A x ,t)

Q ^ Cj ” U (125)
i lAx
are unstable for all combinations of Ax and At. Nevertheless, some modifications to these
difference methods do allow stable answers. There is a wide variety of combinations of dif
ference methods, and some are more useful than others, depending on the problem being
solved. Although computatioiuilly simple explicit schemes are limited because of the Cou
rant condition, often requiring unreasonably small time steps.
Another form of the Euler method is using a backward time differencing with central
space differencing at the new time step
v {x ,t+ A t)-i4 ,x ,t) u (x + A x ,t+ A t)-i4 ^ x -A x ,t+ At)

-+c. = 0 (126)
At 2At
This expression contains terms for the new time (f + df) at more than one point along the
x-axis. Therefore, this expression caimot be solved using the simple time-marching tech
nique used for the explicit scheme. More than one independent equation is required.
Instead, the equations must be solved simultaneously for all of the points along the x-axis.
This implicit scheme, while computationally more complex, has numerous advantages that
often outweigh the method's increased complexity. For example, implicit schemes are gen
erally not limited to small time steps by the Courant condition. Implicit schemes will be
discussed in greater detail in Part n.
V II. D ata R equirem ents
A. Boundary Conditions
At the limit of the model domain where a flux of momentum, water, constituent mass, or
heat enters or leaves, boimdary conditions must be specified as illustrated by Figiue 38.
Boimdary conditions are the driving forces that cause flow and water quality G an ges
within the domain. Typical boundary conditions include wind shear and heat flux at the
water surface, inflows, outflows, and differences in water surface elevations across the
model boundaries. Constituent mass, heat, and water exchange occur at the benthic inter
face. A very important distinction between the botmdary and the internal domciin is that
boundary conditions are specified, and not simulated. Therefore, boundaries must not be
set up where the need for simulations or predictions is critical.
FIGURE 38
Mcxlel b o u n d a ry conditions (crosshatched areas show w here d e p e n d e n t variables e.g., flows, surface elevations,
are specified) (from U SE P A 1991).
Boundary conditions are required for all significant flows coming into or going out of the
model domain. This includes the exchange at all open-water boimdaries (i.e., a botmdary
between a bay and lake or an estuary and the ocean). All the independent and dependent
variables must be specified. Botmdary conditions for flow models involve specification of
one of the dependent variables versus time (e.g., depth or flow) or a relationship between
the two dependent variables {e.g., depth versus flow). Models of river flow typically spec
ify an inflow at the upstream botmdary and a water surface elevation or relationship
between flows and depths (i.e., a rating curve) for the downstream boundary. In reservoir
modeling, flows may be specified at upstream and downstreeun boundaries. In estuaries,
specifying a riverine inflow and tidal elevations at the open or ocean boundcuy is common.
At each of these points where mass and heat loads or losses are significant, concentratiorts
and temperatures are specified.
Boundary conditions are also required for the independent variables (variables not
simulated but required to simulate the dependent variables). The bathymetry or bottom
morphology and flow resistance properties are considered boundary conditions by some
(Wurbs 1985). Morphology and geometric data include the orientation of the water body
and elevations of tiie bottom referenced to some datum for each point in the computa
tional grid. Resistance data can include the formulations and parameters used to estimate
frictional forces at the water surface and bottom. These include drag coefficients and bot
tom roughness coefficients (e.g., the Manning n discussed in Part H). Wind speed and
direction are required to estimate the effect of wind-induced mixing and transport. If
temperature is simulated, solar radiation, cloud cover, and other parameters affecting
heat exchange are required.
B. Initial Conditions
To start a dynamic simulation using a numerical method, irfitial conditions for all dep>en-
dent variables (velocity, depth, concentration, and temperature) must be known at each
grid point within the domain. Steady-state, analytical solutions do not require initial con
ditions. Both explicit and implicit methods require that dependent variables be known at
time zero along the x-axis of the domain and at all other grid points.
The importance of the initial conditions depends on the length of the simulation in rela
tion to retention time and boimdary conditions. Retention time is the average time that a
molecule of water remains in a water body or the average flow through time in a river. Pre
cise estimates of initial hydrodynamic and water quality conditions are very difficult to
obtain. Fortunately, precise estimates of initial velocities and other conditions are often not
important. The simulated velocity field normally develops quickly. As a result, initial
76 Hydrodymmics and Transport fo r Water Quality M odeling
depths may only be important in preventing stability problems during model start-up. The
effects of initial concentrations and temperatures are important for the initial period of
about one to five times the residence time, depending on dispersion and mixing in the
water body. Rivers and other advection-dominated water bodies quickly "wash out" the
effects of initial conditions as illustrated for the Sacramento River in Figure 39. Common
FIGURE 39
C o m p u te d discharges for the Sacram ento R iver n ear Freeport, CA, using v a rying initial flow s in a Branch-
N e tw o rk M odel (from Schaffranek et al. 1981). N ote: Q is flie observed initial flow of 370 m ’ s '' a n d Q , is the
irutial flow for v a rio u s sim ulations, selected as a m ultip le o f Q as show n.
practice for highly advective water bodies is: (1 ) estimate the initial conditions, (2 ) run the
simulation to stability or imtil the initial estimates are washed out, and (3) then discard
simulations before that time. Sometimes re-estimating initial conditions from stabilized
simulations and rerunning the simulation can be useful. In systems with long retention
times, like some lakes and estuaries, initial conditions are critical for simulations that last
less than the residence time. Initial conditions are of particular importance for hydrophobic
contaminants in sediments, where the residence times can be extremely long.
Under certain circumstances, errors in the initial characterization data may not be
washed out. To illustrate, consider a reservoir with a specified initial depth and constant
inflow and outflow boimdary conditions. For constant inflows and outflows, the volume
will not change so if the initial estimates of depth are in error, these errors will persist
imchanged throughout the simulation. Similarly, modeling rivers using upstream and
downstream flow boundary conditions are difficult, partially due to the added importance
that the initial characterization plays. If river stage-discharge relationships over or under
estimate the volume of the river, these errors persist and affect the calibration of the mixing
coefficients.
C. Data for Model Application and Evaluation

The computer codes that implement the governing equations introduced earlier in this chap
ter do not become models of a natural water body until site-specific boimdary and initial con
ditions are specified and simulations run. Even then, imtil calibrated and evaluated for
reliability, the model has limited utility. To be useful, model parameters must be selected and
tested, the governing equations must be assessed for validity, and the consistency of the ini
tial conditions and boundary conditions must be determined from the ability to simulate con
ditions at a site. This process requires at least one set of observations at representative internal
grid points to select and assess model parameters and to assess the overall accuracy of initial
conditions and boundary conditions. A second set of independent data is necessary to vali
date or test how well the model is calibrated. The calibration and validation data sets are
independent measurements of the simulated dependent variables (i.e., flow, depth, concen-
tratiorrs, and temperature) that can be compared directly to assess and confirm model perfor
mance. The calibration and validation data sets define the lirruted conditions over which the
site-specific model is strictly applicable. Screening water quality predictions can be made
outside of range of the calibration and validation data. Nevertheless, this practice is not rec
ommended for precise design investigations urUess the theoretical basis of critical simula
tions can be confirmed or the projections are known to be conservative.
The degree of calibration, model testing, and use for predictions depends on how many
approximations are involved in the computer code. Some hydraulic and hydrodynamic
models require only calibration since the physics of flow is well known. The same is true
for heat balance modeling in some settings. However, where unusual phenomena like
reversing reservoir currents or imusual rates of evaporation occur, validation with one or
more independent data sets is required.
Specification of source-sink terms in water quality models involve so many semi-empir
ical relatiorwhips (Bowie et al. 1985, Schnoor et al. 1987) that validation with one or more
independent data sets is required. Occasionally, advection-dominated simulations of con
servative constituents like saliiuty can be calibrated and used without validation, but these
applications are not very common. For example, simple water and salinity balances in riv
ers and canals may not require calibration and validation to be accurate and useful. Highly
dispersive flows in estuaries and lakes require extensive calibration and validation to sim
ulate the salt balance accmately (Einsmann 1994, Elder 1994, Lackey 1994).
The specific value of model parameters may depend not only on the physical, biological
2md chemical characteristics of the system but also on the amoimt of process aggregation
in the computer code selected. Therefore, when applying more than one model to a system,
each model must be calibrated (McCutcheon 1983b, 1989). Where model parameters cannot
be measured directly in the field and laboratory, preliminary estimates can often be made
from literature values or approximate relationships (Bowie et al. 1985, Schnoor et al. 1987).
Most of these initial estimates will be adequate for the final calibration. However, a handful
of critical parameters must normally be iteratively changed vmtil model simulations match
measured calibration data. This process is known as model calibration, a variant of the inverse
problem or the inverse of the normal practice of using inputs to compute outputs. The pro
cess of calibrating a model is a time-consuming task of trial-and-error adjustment of
parameters vmtil a "reasonable fit" is obtained between observed data and the simulations.
Some automated calibration techniques are available as well. The FLDWAV model (Fiead
1985) for routing of unsteady flows in one-dimensional channels provides for the auto
mated calibration of some parameters using optimization techniques. To obtain the best
calibration, the same professional care and experience must be applied whether the trial-
and-error or au tom at^ approaches are involved.
While a calibration is the only reasonable approach for peirameter estimation, the result
can often be "ill-posed." An ill-posed calibration occurs when more than one combination
of parameter selections produces effectively the same model simulations over a limited
range. In addition, observed data may be lünited and uncertain, and the parameter esti
mates sensitive to errors in the observations. The number of possible combinations of
imcertain parameters that can yield similar simulations increases nonlinearly as the num
ber of uncertain model parauneters increases, or as models become over-parameterized.
While the number of uncertain parameters is usually smaller in models of water flow and
transport, an ill-posed or non-unique calibration is also a tiequent problem.
To avoid ill-pœed or uncertain calibrations, parameter estimation requirements and data
collection must be carefully matched. Over-parameterized models are avoided. Sufficient
independent data of different types are collected to evaluate and constrain each important
parameter. Sufficient data are needed for each important model algorithm. Important param
eters are determined a priori from preliminary sensitivity analyses. Different types of data
include sufficient flow and water surface measurements to calibrate flow simulations. Natu
ral or synthetic tracers are needed to calibrate transport cind mixing simulations when these
processes are important. Methods for measuring flows and water surface elevations, and
procedures for conducting tracer studies are discussed in Chapter 2. Water quality data must
often be exteirsive and complete to avoid an uncertain calibration. For example, the dissolved
oxygen balance cannot be calibrated with just dissolved oxygen measurements spaced
throughout the water body. Data for each process that significantly affects dissolved oxygen
must be collected. The measurements normally include biochemical oxygen demand or
oigctiüc carbon, organic nitrogen, ammonia, nitrate, phytoplankton concentration, reaera
tion, and benthic oxygen demand rates. In addition, data must be collected to calibrate other
processes such as phosphate cycling, that affect ph)doplankton growth and in turn affect dis
solved oxygen levels. Where models of water flow and trarwport are linked with those of
water quality, the water quality results can usually provide an indirect check on flow and
transport simulations. Also true is that the transport calibration provides an indirect confir
mation of the reliability of flow simulations. Finally, the calibration process corifirms that
flow, transport, and water quality data are consistent and representative.
Model validation, evaluation, confirmation, or testing is the process of assessing the degree
of reliability of the calibrated model using one or more independent data sets. The cali
brated model parameters are held constant and the independent initial and boimdary con
ditions used to simulate new conditions. These new simulations are comp 2ired with the
independent validation data collected within the model domain to assess the degree of
model reliability to make certciin types of simulations. Experience, statistical tests of impor
tant variables, and other methods are used to decide if the model is reliable for the purpose
at hand. Validation does not imply a wider applicability of the model. Different statistical
tests, including skill tests, are normally used to define the accuracy and precision of differ
ent aspects of the simulations, depending on the resource decisions to be made (Dingman
and Bedford 1984, Reckhow and Qiapra 1983a). If resource decisions are focused on water
quality standards or achieving a certain state of water quality, the standards define the vari
ables that should be the focus of calibration and validation testing. For example, the resto
ration of salmon habitats in Pacific Northwest streams from restored riparian shading
focuses on sununer maximum water temperatures, which are included in the state stan
dards (Chen 1996, Chen et al. 1993). The validation of a watershed model to simulate
stream temperature focuses on the accuracy and precision of summer maximum tempera
tures and also the root mean square error of hourly simulations to determine how reliable
simulations are overall (Chen 1996).
The relation between validation and calibration data in designing data collection pro
grams focuses on two issues. First, the two (or more) time series must be statistically
independent. Second, the range of the calibration and validation data must cover the full
range of conditions over which the validity of the model is to be tested. Independence
requires that time-series data be free of correlation with data collected the previous hour,
day, or month. This rules out splitting a data set (assigning every other seunple to a cali
bration set and the remaining samples to a validation data set), or conducting back-to-
back sampling campaigns. Follow-up data sets are normally collected a year apart or
later in the season but at least two to four weeks apart. Ideally, samples collected in one
year are analyzed and used to calibrate a model before validation data are collected. But
given the initial problems that always occur in starting a field program, the initial data
sets may be reserved sometimes for veilidation, using later data for calibration. The ran
dom occurrence of extreme hydrologic and météorologie events like droughts and
imusual hot, dry periods during sampling can also lead to changes in intended use for
calibration and validation.
Capturing more-extreme conditions during validation data collection is normally best to
provide as rigorous a test as possible. The sets of data should cover lower, typical, and
higher flows of dominant tributaries unless critical conditions are well defined. Climatic
conditions should cover cooler, hotter, drier, and wetter conditions as critical conditions
dictate. Loads should normally be at the highest levels but cover a range reflecting the man
agement options to be investigated.
Verification, confirmation testing, model evaluation, and a host of similar terms have
been used for vedidation (Reckhow and Chapra 1983a, 1983b, Reckhow et al. 1986,1990). In
this text, verification is confirmation of the numerical accuracy of computer codes by com
parison of output to exact analytical solutions or independent calculations that are exact.
Reckhow and Chapra (1983a, 1983b) and others suggest that vahdation implies absolute
reliability that is inconsistent with the probabilistic nature of modeling. They suggest that
a model carmot be said to be absolutely valid or not, only useful to a reasonable degree of
certéiinty. In this text, the term validation testing is used only to describe the process of con
firming that simulations arc reasonably accurate and precise using data that are but a mea
sure of the true state of the system being simulated.
If validation testing finds that a calibrated model is reliable enough, the calibration and
validation data are normally combined to achieve an overall calibration that is at least
better than the initial calibration (Reckhow and Chapra 1983b). The final calibration is
followed by the development of an operational model that is used to set waste load alloca
tions or provide other information. Any operational model should have well-defined
limits for flow, depth, temperatures, loadings, and other factors. Uncertainty should be
quantified so that appropriate safety factors can be added and other adaptations can be
made in the final decision making process.
Calibration and validation are now considered initial steps in an iterative process that
can involve repeated calibration and validation every five years or so. South Carolina and
other states have adopted a watershed approach that involves collecting new data for
waste-load allocation every five years, calibrating a model again, confirming model valid
ity, and designing an updated operational model. The Chesapeake Bay and other critical
American waters are revisited about every decade or so. New data focused on new prob
lems are collected, and models are recalibrated and tested.
Most studies require interagency cooperation or team approaches to data collection for
calibration and validation. U.S. Geological Survey flow data can be used with point source
data collected by dischargers, while state, federal, and private organizations like river-
watch groups can collect instream water quality samples Ü\at are analyzed at different labs.
Rigorous qucility assurance plans are required a priori to provide consistent and accurate
data but the calibration is, in many cases, the step where it is determined whether those
quality assurance plans were effective.
A critical mistake in modeling studies is collecting extensive data and then calling in
modeling experts. Not performing a careful assessment of modeling requirements prior to
field studies can result in sampling efforts with missing critical data, not defining impor
tant gradients, or failure to close flow and mass balances. The ideal study first defines man
agement objectives. Then the appropriate integration of modeling and data collection is
designed to answer those questions (Martin et al. 1988, Richardson et al. 1988, Paul et al.
1988). The next step is to select the appropriate model and team to interpret the results that
address the memagement issues. The model should then be run to help guide the design of
data collection campaigns in concert with data gathering specialists (Martin et al. 1991).
Making simulations before data collection begins ensures that all important initial, bound
ary, calibration, and validation are collected at the best frequency and spacing throughout
the water body. Preliminary sensitivity analyses define critcal model parameters for which
data must be collected. Also, synoptic data collection campaigns can be expanded to
include other data needed for decision making where modeling is not appropriate to assess
and project the meaning of the information. This can include documenting fish disease or
phenomena for which processes and cause-and-effect relationships are not known. Synop
tic sampling guided with forethought as to the final use of the data saves money and
ensures a reliable calibration. Better integration of modeling and data collection also makes
it possible for resource managers to effectively direct limited funds to the highest priority
issues. Thus managers can optimize the reliability of the calibrated model for the funds
available, or get the funding necesscuy to achieve the reliability needed for the decisions to
be made (Richardson et al. 1988).
The calibration and validation steps are critical to determine confidence in model simu
lations and the overall reliability of the calibrated model. The reliability of simulations is
assessed by evaluating the possible sources of errors. However, the errors are difficult to
quantify. Errors in model calibration result from: (1) limited data on the natural heteroge
neity of the water body, (2 ) errors in measurement (irutial conditions, boundary conditions,
and calibration and validation data), (3) computational errors in solving the basic equa
tions, and (4) approximation errors introduced in simplifying the governing equations and
specifying source-sink terms. Model error or reliability is evaluated in three ways: (1) Pairs
of observations and simulations consistent in time and space are statistically tested to
determine if differences are significant. (2) Sensitivity of simulations to pareuneters and
input data is determined to aid calibration and interpretation of cause-and-effect relation
ships. (3) Error analyses of input data and parameters are performed.
No definitive set of tests has been proposed for water quality model evaluation. Each
study requires that the appropriate combination of tests be carried out to determine model
reliability for the site of interest given the management issues at hand. Combinations of sta
tistics and analyses are importemt to distill the results into informative summary statistics
but these summaries can be misleading and fail to convey the full importance of the com
plete results, since by design these tests filter information. The simpler the statistic, the
greater the risk that some element of the response of the model will not be caphued or con
veyed. E>ingman and Bedford (1984) for example, fovmd that simpler parametric statistics,
e.g., root mecin square error, correlation coefficient, skewness, variance, and mean water
level, were not fcdly useful in assessing storm surge simulations from two models. They
recommended skill tests tailored to testing critical extreme water level events and the tim
ing of the events.
1. S ta tistica l Tests o f P a ire d O b serv a tio n s an d Sim u latio n s

Simulation error is often assessed by comparing simulations and observations, keeping in
mind the uncertainty associated with measurements. The uncertainty in meaisurements is
twofold. Field and laboratory analysis techniques introduce some error but more impor
tantly point measurements rarely represent exact average conditions over large simulated
control volumes. Discrepancies between point measurements and areal average water
body response is rarely known, hampering modeling coiriirmations in almost all cases.
A series of useful statistical tests is reviewed and applied by Thomaim (1982), Reckhow
and Chapra (1983a, 1983b), Reckhow et al. (1986,1990), NCASI (1982), Ambrose and Roe-
sch (1982), and Ambrose (1987) for testing water quality models. Dingman and Bedford
(1984), Bedford and Mark (1988), and Mark et al. (1993) test and apply several statistics and
skill tests to assess lake surge models and flow and transport models. Aiken (1973) and
Baker and Rogers (1983) present simulation testing statistics useful in hydrologic stream
flow modeling. Loague and Green (1991) discuss transport model testing for contaminants
in soil.
Statistical tests of pairs of observed and simulated data or of the differences in the means
and underlying distributioris of the observed and simulated populatioi\s generally depend
on three conditions: (1) independence, (2) equivalent variances, and (3) normality. Indepen
dence requires those samples in a time series of observations and simulations be uncorre
lated. This is quite difficult to achieve in sampling most water bodies (Reckhow et cd. 1990).
Flows, depths, and concentrations are almost always dependent on conditions occurring an
hour, a day and even a month or two before. Q ien (1996), for example, investigated autocor
relation of flow data from the Grande Ronde River in northeastern Oregon. He found that
measured and simulated daily stream flows were correlated with previous flows up to 45
days prior. This required sampling of the populations about every 45 days to obtain time
series of independent data. Reckhow and Chapra (1983b) describe methods for estimating
the autocorrelation coefficient for a given lag time, and for estimating effective sample sizes.
Forhmately, autocorrelation is normally much less for residuals or the difference between
observed and simulated pairs. Therefore, autocorrelation tests should be performed on resid
uals, which normally have a constant variance (Reckhow and Chapra 1983a).
Equivalent variances are determined by conducting an ^^test. The Q^test (Kennedy and
Neville 1976) is the ratio of variances compared with a tabulated g^statistic based on the
numbers of samples in each population (minus one degree of freedom). Many statistical
tests are robust or not highly affected by mild violations of the equivalence of variances. In
other tests like the f-test, variances can be pooled together (ReckJiow et al. 1990,1986).
Many statistical tests require that the observed and simulated data sets be normally dis
tributed. Parametric statistics are those based on the assumption that samples are drawn
from a population with a known distribution, like the normal distribution. Nonparametric
statistics are distribution free; no imderlying distribution is assumed. For those parametric
statistics like the Student's t that depend on the normal distribution, tests for normality are
required. These tests include plotting on normal probability paper, the chi-square test, and
the Kolmogorov-Smimov test. However, many statistical tests are not affected by mild
nonnormality. When a distribution lacks normality, a series of transformatioris (Kennedy
and Neville 1976) can be attempted, starting with the log transformation. These log-trans
formed data are then tested to determine if the residuals or errors are normally distributed.
Since water quality concentrations cannot be negative, many distributions of natural
parameters are log-normal (Reckhow et al. 1990). Finally, if the distribution carmot be trans
formed to achieve normality, nonparametric tests like the sign test and the Wilcoxon
raiiked test can be used.
The simplest statistical test is the average error defined as (Ambrose and Roesch 1982)
(127)
»■1
where O, and S, are observations and matching simulations i = 1 through N, the total num
ber of observations, respectively, and O, is the average of all N observations. The uiuts and
dimensions of the average error E, are the same as those for the observations O,- and simu
lations Sj. For paired data, the average error is the difference between the average of the
observations (E«/0,) and average of the simulations. Thomann (1982) defines the relative
error differently as
RE = - ^ --------- xlOO (128)
The relative error represents the average difference between predictions and observations,
normalized by the magnitude of the observations. As defined in Equation 128, the dimen
sionless relative error is a positive statistic that varies from 0 - 10 0 %.
Average or relative error is a measure of model accuracy, bias, or systematic error. If Ea >
0, the model systematically oversimulates and if Ea < 0 systematically undersimulates the
response of the natural system. This clear and definitive measure of bias can be misleading.
Neither relative nor average error measures imprecision or scatter in residuals (observed -
simulated). Large negative discrepancies can be counterbalanced by large positive discrep
ancies or several smaller positive discrepancies to give an average close to zero. The effect
is the same as having many small discrepancies clustered closely about zero but the vari-
cuices and skewness (lack of symmetry in the population distribution) are radically differ
ent. The relative error is a maximum of 100% and is therefore poorly behaved near this limit
(Thomarm 1982). Overall, the relative error is useful for guiding calibration and judging
validation testing, but other statistics are necessary to determine precision and correlation.
Relative error tolerance within which the calibrated model is assumed to be effectively
free of systematic error or bias has not been extensively defined. Relative error for dis
solved oxygen from a number of estuaries evaluated by Thomann (1982) and average rel
ative error by Ambrose and Roesch (1982) are given in Table 7. Thomann (1982) suggests
TABLE 7
Relative and Average Error in a Number of Estuarine Model
Calibrations for Dissolved Oxygen
R elative E rror R elative A verage E rror
E stuary (T hom arm 1982) (A m brose a n d R oesch 1982)
N e w York H a rb o r 5 to 35%
M anhasset Bay, NY 5%
W icom ico Estuary, NY 56%
Savatm ah Estuary, GA 15%
San Joaquin D elta, CA 10%
Potom ac Estuary, NY - 3 to -1%
D elaw are E stuary, PA -4%
that overall RE = 10% is a good measure of the tolerance that should be anticipated in a
majority of dissolved oxygen simulations. Fifty percent of the calibrated models investi
gated by Thomarm (1982) for 20 water bodies, mostly estuaries, rivers, and streams, but
including Lake Erie showed RE < 10% as shown in Figure 40. The range of relative errors
was 1% to 62%. The greatest relative errors in the studies compiled by Thomann (1982)
occurred in small streams.
FIGURE 40
D issolved oxygen relative e rro r in sim ulations (from T hom ann 1980).
Similarly, the nonparametric sign test can be used to determine systematic error (Chen
1996). The number of positive and negative discrepancies between observed and simulated
values is compared. If the positive discrepancies are in a majority, the sign test indicates
that the calibrated model oversimulates, and systematically undersimulates if more nega
tive discrepancies occur. The Kolmogorov-Smimov test is useful in determining if the
excessive number of positive or negative discrepancies is due to random chcmce or if the
systematic bias in simulation is significant (Chen 1996). The sign test and Kolmogorov-
Smimov test are frequently used in testing hydrologic model simulations (Aitken 1973,
Baker and Rogers 1983). The sign test and the Wilcoxon test (Kennedy and Neville 1976)
require no assumption about underlying distributions and are thus easy and simple to use.
However, the simplicity can be a problem where large outlier discrepancies occur. Large
discrepancies are given the same weight as small discrepancies so that the average error
can indicate a positive bicis while the sign test indicates a negative bias and vice versa.
If the xmderlying distributions for observed data emd the associated simulations are nor
mal, each datum independent, and the variances equivalent, the Student's t test can be
employed. The f-test is used to determine if a significant difference exists between the
means of paired simulations and observations (Reckhow et al. 1986,1990, Thomann 1982)
(129)
where S is the true difference between model and data, and is the standard deviation of
the differences between observed and simulated pairs given by a pooled variance of the
two sets of data. The statistic t is dimensionless. The average error E„ difference between
model and data S, and standard deviation of the differences Sj have the same dimensions
and units for each parameter evaluated. If the variances of the observed and simulated data
are equivalent.
1 ( 0 , - s ,) “
s ,= lJ = l- (130)
1 - N -1
The appropriate null hypothesis for testing the significance of any difference between
means (Reckhow et al. 1990) is that no significant difference occurs between the differences
in the observed and simulated mean and 5. As an example Reckhow et al. (1990) use 8 = 0.5
mg L“* for dissolved oxygen modeling. The alternative hypothesis, Hj, is that the mean dis
crepancy between observed and simulated values is less than 0.5 mg L"*. The past practice
has been to define the null hypothesis as the mean of paired observations and simulations
are not significantly different from zero. Reckhow et al. (1990) point out that testing the old
null hypothesis is more prone to type II errors (the null hypothesis is determined to be fedse
when it is in fact true, Reckhow and Qrapra 1983a).
When a distribution of residuals (observed - simulated) is severely nonnormal, the Wil-
coxon or Marm-Whitney test is an appropriate alternative for testing the difference
between means. The Wilcoxon test evaluates whether two distributions have the same cen
tral tendency or if the distributions are offset. Hiis test can be useful in several ways. First,
for testing whether a mean residual is different from zero, but also for testing whether cal
ibration and validation data sets are significantly different. Also, the test is a good indepen
dent check on the f-test (Reckhow et al. 1990). Kennedy and Neville (1976) and many good
books on statistics give tabulated statistics and the appropriate procedure for conducting
the test.
Precision of a simulation is determined from the standard error of estimate or root-mean-
square error
SE = J d _________ (131)
N
where root mean square error SE has the same units and dimensions as the observations O,-
and simulations S,-. The dimensionless coefficient of variation is CV = SE/0^ where O, is the
average of observations O,. For the Potomac and Delaware estuaries, Ambrose and Roesch
(1982) found coefficients of variation for flow variables of less than 10%, transport veiriables
less than 45%, and water quality variables less than 90%. The higher imprecision occurred
in simulating rapid changes in ammonia.
Regression analysis of pairs of observations and simulations may be even more useful in
evaluating the calibration or validation of a model. The regression equation is
O, = a, + p^Si + e (132)
where Oj and ^ are dimensionless regression coefficients representing the true y-intercept
and slope, respectively, of a plot of observed versus simulated values, and e is ffie error in
simulation Sj (Thomann 1982). The regression coefficient oti and the error in simulation e
have the same dimensions and units as the variants O, and S,. Figure 41 from Thomann
FIGURE 41
Illustration o f the utility of a regression analysis (from T hom ann 1980).
(1980) illustrates the great conceptual utility of a regression analysis. In Figure 41 (a), model
simulations are accurate but imprecise. The correlations in Figure 41 (b) and (c) show pre
cise model simulations that systematically oversimulate and imdersimulate by a constant
fraction of bias, respectively. Figure 41 (d) illustrates an excellent correlation or a precise
simulation that has a constant bias or constant systematic error. In other cases not given in
Figure 41, simulations may be inaccurate and imprecise (poorly correlated), or accurate at
higher values and inaccurate at smaller values (0 < Oi and > 1 or a , > 0 and ft < 1 ).
The coefficient of deteraiination r (or correlation coefficient r^) for the regression equation
(Sokal and Rohlf 1973) is
n rt
N ^ O ,S ,
r=■ 1=1 1=1 1=1 (133)
>’ T 2‘
N ( N N r N >
N ^ o ; -
1 ° . nX s?- I * .
1=1 ^ i« l > 1 k i= l > .
provides an indication of the degree of correlation between the observed (O,) and predicted
(S,) data, for a given number of observations (N). The dimensionless correlation coefficient r^
or the coefficient of determination r approaches one when a high degree of correlation occurs,
and approaches zero when data are not correlated. Whether the simulation is accurate is
determined by testing the significance of the intercept and the slope If the slope is not
significantly different fi-om one and the intercept is less than or equal some tolerance centered
about zero, the statistics indicate accuracy (Reckhow et al. 1990,1986, Thomann 1982). How
ever, any such finding must be confirmed by visual inspection of a regression plot like Figure
41. A visual inspection is necessary and assigning a tolerance for the test of the intercept is
necessary because the test can be ambiguous. Highly scattered data over the range zero to a
large observation and zero to an equally large simulation value can cluster enough so that cej
» 0 and A “ 1 but 0. Hus result can be misleading if a visual inspection is not used to
confirm that a credible relationship exists. The desired outcome is = 0, A = 1/ and -> 1.
This relationship is highly correlated, accurate, and precise. To avoid ambiguity in the test of
the slope and intercept, Reckhow et al. (1990,1986) recommend testing the null hypothesis
that a , < «1 where aj is a tolerance value centered about zero. As an excimple, Reckhow et al.
(1990) select a value of 0.2 mg for dissolved oxygen modeling. The tests of significance of
the slope and intercept of the regression curve compare (o^ - ai)/s, and (A - l)/So to the tab
ulated Student's t statistic for N - 2 degrees of freedom (Reckhow et al. 19%, 1986, Thomann
1982). The standard deviations of the intercept and slope are defined as (Kennedy and Nev-
iUe 1976)
1
S^ = S*
(134)
1(0.-o.r
i>i
and
(135)
where
(136)
2. S e n sitiv ity A n a ly sis

A sensitivity analysis is a limited but useful aid in calibrating a model. A more forméilized
error analysis (discussed below) is necessary to assess the validity of a calibration. In the
sensitivity analysis, all parameters and input data are varied individually usually by a con
stant percentage to determine which parameter, initial condition, or boimd 2uy condition
causes the greatest change in the simulation. Results are presented as a fraction or percent
age of the baseline simulated value (no change in any parameter or input), or as a ratio of
the change in the input parameter divided by the change in the dependent variable simu
lated (i.e., velocity, depth, concentration, or temperature). Figure 42 is a very good illustra
tion of the sensitivity of the calibrated one-dimensional Branch Network Dynamic Flow
Model for the Sacramento River.
FIGURE 42
Sensitivity of sim ulated flow s in the Sacram ento R iver at Sacram ento, CA, to the bo tto m frictional resistance
co effident (from Schaflranek e t al, 1981).
3. E rro r A n a ly sis
An error analysis assigns estimates of imcertainty to all significant parameters, initial con
ditions, and boimdary conditions and determines the combined imcertainty in the output
or dependent variables. Topping (1955) provides an overview of how typical values of
uncertainty can be estimated from the variance and other parameters, and how these errors
propagate through algebraic manipulations. Tracing the propagation of errors provides an
estimate of typical errors in analytical results. Unfortunately, complex munerical models
cannot be analyzed in such a straightforward way. However, the conceptually simple
Monte Carlo analysis provides a good alternative. In the Monte Carlo analysis, each
parameter is assigned a probability distribution. These probability distributions are mea
sured, estimated or otherwise based on the processes known to affect the parameter. Values
representing each parameter are then randomly selected from the appropriate probability
distribution and these values used to produce simulations of the dependent variables. This
process is repeated, usually 500 to 2000 times, until the cumulative output from the multi
ple simulations form a continuous probability distribution. This output probability distri
bution forms the response domain from which model uncertainty can be estimated.
Normally, the mean or median value and the 90th or 95th percentiles are used to convey
the results of the simulation and imcertainty associated with the calibrated parameters. If
all the input distributions are equally distributed (e.g., the normal or lognormal distribu
tions) around the final calibration parameters, the median simulation from the Monte Carlo
analysis will not change from the final calibration value. However, different parameters
have different distributions, producing hybrid output distributions.
The Monte Carlo technique is a powerful means of determining the uncertainty in model
simulations, but the computation burden of making thousands of simulations practically
limits the application to simpler water quality models. The computational burden makes it
very difficult to apply the Monte Carlo analysis to hydrodynamic and transport models. A
widely used model that includes Monte Carlo analysis and first-order error analysis is the
USEPA's QUAL2E-UNCAS model (Brown and Barnwell 1987), which is a one-dimensional
water quality model widely used to simulate stream and river water quality under steady-
flow conditions to set waste load allocations for discharges of sewage.
The first-order error analysis applied in QUAL2E and other models is an approximation
of the Monte Carlo analysis based on the use of the first-order terms in a truncated Taylor
series (Reckhow and Chapra 1983b). For most water quality processes, the first-order anal
ysis is an excellent approximation. Except phytoplankton dyn2unics, most water quality
kinetics are linear. When all processes are linear, the first-order analysis is equivalent to the
Monte Carlo analysis (Reckhow and Chapra 1983b).
See Beck (1987) for a broader review of the role of uncertainty analysis in water quality
modeling and in the application of these methods to making predictions. The techniques
of error analysis are often difficult and time-consuming to employ in complex dynamic
models. However, some type of uncertainty analysis is required to establish the credibility
of a calibrated model, especially when prediction beyond the range of calibration and V e il-
idation data is contemplated.
D. Data for Evaluation of Environmental Controls

After calibration and validation testing, operational models are set up to estimate the
impact on water quality from some resource management change or environmental con
trol. To project impacts on water quality, data on the particular design conditions or man
agement scenarios are required. Methods to determine low-flow design conditions are
discussed in Qiapter 2. Flow conditions are normally specified by state law to avoid dis
putes about projected conditions in waste-load allocation. Other data for projectioris, espe-
cicilly the effects on water quality parameters, are not available and must be estimated from
experience. For example, switching to advanced wastewater treatment not only reduces
the concentration but the rate of decay of biochemical oxygen-demanding materials typi
cally decreases. Settling of organic matter to form benthic demands decreases but the
amount of the decrease caimot be reliably projected in many cases.
Ideally, an operational model is used to interpolate over the range of calibration and val
idation data for which model imcertainty has been quantified. The operational model
should be useful for estimating conditions within that range for which data are not avail
able. However, models must also be applied to evaluate conditions that do not yet exist,
such as those following some structural change in a dam, building a new sewage-treatment
plant, or diverting flow and sediment from one estuary to another. Models also must be
applied to rare hydrologic and meteorologic events that are outside the range of calibration
and validation conditions (e.g., rare high or low flows).
Despite the need for predictions, predictive uncertainty is very difficult to assess since
model conceptual errors or errors introduced due to unknown processes usuciUy take a
more prominent role vmder varying conditions. As a result, a well-calibrated model that
compares well with observed data may not yield accurate predictions for all enviroiunental
controls. Therefore, conservative selections of parameters, use of design safety factors, or
probabilistic analyses using a Monte Carlo analysis or other techniques are necessary.
When possible, economic impact assessments, ecological risk assessments of critical and
economic species, and human health assessments should be undertciken to define the over
all penalties for inadequate design and implementation.
Overall postaudit studies are also needed to evaluate model projections after basin man
agement practices are changed, wastewater plants are upgraded, flows diverted, or during
extreme events like hurricanes. If a model is used to estimate the impact of some environ
mental control, then studies following implementation are needed to assess the adequacy
of those model predictions. Monitoring is normally imdertaken, but may miss subtle
effects and will not necessarily define the cause of water quality violations. Unforhmately,
postaudit studies have only rarely been conducted (Leo et al. 1984; Lung 1996; Freedman
et al. 1992).
V III. Definitions
The terms that follow review critical ideas and introduce other important concepts that will
follow in subsequent chapters.
Celerity: velocity of a wave due to pressure or gravity (e.g., see section III.B on the
celerity of the pressure wave and see the definition of the Froude number in
section DC, Chapter 1, related to the celerity of the gravity wave).
Critical Flow: open-channel flow where the mean velocity is equal to the velocity
(or celerity) of a gravity wave. In a critical flow or supercritical flow (velocity >
celerity of the gravity wave), a wave cannot move upstream. Therefore, the
conditions at downstream sections do not hydraulically influence conditions at
upstream sections (see Froude number in section IX and Chapter 5, n.B.2).
Flow Area: cross-sectional area perpendicular to the direction of flow.

Hydraulic Radius: the ratio of the cross-sectional area to the wetted perimeter P„,
where R = A J P „ . In a rectangular channel, the area is BD, where B is the widtii
(L) and D the depth (L). The wetted perimeter is defined below. For wide
channels that are at least one himdred times wider than the depth, the hydraulic
radius (L) is approximately equal to the depth.
Laminar Flow: smooth orderly flow of one layer or lamina over another that is
dominated by viscous forces (see Reynolds number in sections IV and IX, Qiap-
ter 1 ) so that the exchange between flowing layers is limited to molecular and
thermal diffusion and molecular momentum transfer. See turbulent flow.
Open Channel Flow: flow with a free water surface open to the atmosphere as
opposed to pressurized flow in pipes.
Spatially Varied Flow: depths and velocities vary with distance along the flow.
Stage: elevation of the water surface relative to a datum.
Steady Flow: flow that is constant with respect to time (dQ/dt = 0).
Steady-State: cdl flow, transport, and water quality conditions are constant with
respect to time (see steady flow).
Stratified Flow: density varies in any direction. L<ikes can become verticsdly stratified
at different times of the year. The potential energy of stratified flows inhibits
mixing and transport, chaimeling inflows and outflows into layers of stratified
lakes and estuaries, thus dominating flow and residence time patterns.
Turbulent Flow: chaotic flow consisting of eddies and swirls dominated by turbu
lence (see Reynolds nximber in sections IV and IX, Chapter 1). Mixing is domi
nated by turbulent momentum, mass, and heat transport that is a function of
the flow characteristics. Molecular diffusion and viscosity are unimportant. See
laminar flow.
Uniform Flow: depths and velocities are constant throughout the flow. Uniform flow
is an ideal state but one that is practically achieved in many settings, making
uniform flow analysis with the Manning equation and other methods a valuable
part of the study of open-channel hydraulics.
Unsteady Flow: time-varying (dynamic) flow.
Wetted Perimeter, perimeter or length along a channel cross-section that is in contact
with water. In a rectangular chaimel the wetted perimeter would be 2D + B,
where D is the water depth (L) and B the width (L).
IX. Dimensionless Numbers

Many fundamental pareuneters are derived from the governing equations or by dimen
sional analysis of dynamic similarity. These dimensionless numbers determine what type
of flow and transport conditions are important. Five of the more useful fundamental
parameters of flow and mass transport are listed below and used throughout this text.
Reynolds Number.
UL
R = ^ (137)
V
where U is mean velocity (L T"*), L, is the characteristic length scale (L), and v is the kinematic
viscosity (L^ T"*). The Reynolds number is the ratio of inertia to viscous forces. In open chan
nel flow the characteristic length is the hydraulic radius. If R, < 500 then the flow is laminar.
If R, > 2 000, the flow is turbulent. A transition regime, which is turbulent or laminar depend
ing on the history of flow conditions and acceleration, occurs over the range: 500 < R, < 2000.
Gradient Richardson Number:
p dz
R, = - (138)
(fj
where g is gravitational acceleration (L T"*), p is fluid density (M L"®), z is the vertical coor
dinate (L), and u is the horizontal velocity (L T"*). The gradient Richardson number is the
ratio of buoyancy to shear force. If R, > 0, the flow is stably stratified and tends to remain
so, especially when R ,» 0. As R, approaches zero, the flow approaches a homogeneous or
neutrally stratified condition. For R, < 0, the flow is unstably stratified and tends to over
turn very quickly to achieve neutral stratification.
Peclet Number:
(139)
‘ E;
where L, is the characteristic mixing length (L), Ü is the mean velocity (L T"'), and E, is a
mixing coefficient (e.g., moleculcir or eddy diffusivity, or viscosity) in the direction the mix
ing length is measured (L® T"*). The Peclet number is the ratio of the advective flux to the
dispersive flux. If P, is much greater than one, advection dominates, and if much less than
one, dispersion dominates.
Froude Number:
U U
F = (140)
where li is a cheiracteristic velocity (L T-^), g is gravitational acceleration (L T"®), Lj is a chcu:-

acteristic length (L), and is wave celerity (LT'*). The Froude number is the ratio of inertial
to gravitational forces in a homogeneous fluid. The celerity of a pressure wave is discussed
in section III.B. Gravity waves also travel through fluids at a finite velocity or celerity. The
celerity of gravity waves is described by the denominator of the Froude number. So the
Froude number is the ratio of the mean velocity to the celerity of the gravity wave. Gener
ally, the length scale L, is the depth and characteristic velocity U the average longitudinal
velocity. If F, < 1, the flow is subcriticcd and gravity forces dominate. If F, > 1 the inertial
forces dominate and the flow is supercritical. When the flow is subcritical, downstream dis-
tiirbances move upstream as waves, allowing conditions downstream to affect upstream
conditions. When the flow is supercritical, waves and disturbances cannot move upstream
and thus do affect upstream conditions.
Densimetric Froude Number.
U
F_.= (141)
92 Hydrodymmics and Transport fo r Water Quality M odeling
where U is the characteristic velocity (L T'*), g is gravitational acceleration (L T^), Ap is the

density difference over the depth (M L*^), p is the average fluid density (M L"®), and L, is a
characteristic length (L). The densimetric Froude number is the ratio of inertia to buoyancy
forces. If F„- < 1 then the flow is subcritical and gravity or buoyancy forces dominate. If f „ > 1
then the inertia or kinetic forces dominate and the flow is supercritical. The densimetric
Froude number is an approximation of the gradient Richardson nxamber and is quite similar
to the estuary Richardson number defined by Fischer (Fischer et al. 1979). The densimetric
Froude number is normally applied in open-channel flows where the characteristic length L,
is the full depdi D or depth of a layer and the characteristic velocity is the average velocity
over the depth, or layer. Typically, the densimetric Froude number is a measure of whether
mixing of cooling water discharges will occur immediately and whether the discharge will
move upstrecim.
Rossby number.
R (142)
' /L.
where U is the mean velocity (L T"*),/is the Coriolis frequency of approximately 1 x 1 (H s"*
at mid latitudes (T**), and L, is the horizontal length scale (L). The Rossby number is the
ratio of advective forces to Coriolis forces. If the Rossby number is small {R„ < 0.1), then the
Coriolis force is important and these terms must be included in the governing equations.
Fundamentals
Aitken, A.P. 1973. Assessing systematic errors in rainfall-runoff models, J. Hydrology, 20, 121136.
Akar, P.J. and G.H. Jirka . 1991. CORMIX2: An expert system for hydrodynamic mixing zone analysis of
conventional and toxic submerged multiport diffuser discharges, U.S. Environmental Protection Agency,
Athens, GA.
Ambrose, R.B., Jr. , 1987. Modeling volatile organics in the Delaware Estuary, ASCE J. Environ. Eng., 113(4),
703721.
Ambrose, R.B., Jr. and S.E. Roesch . 1982. Dynamic estuary model performance, ASCE J. Environ. Eng., Vol.
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Hydrodynamics and Transport For Water Quality Mode

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HYDRODYNAMICS

CRC Press is an imprint of the

L ib ra ry of Congress Cataloging-in-Publlcation Data

Martin, James Lenial, 1947-

© 1999 by CRC Press. Inc.

No claim to original U.S. Government works

Lenial B. and Essie M. Martin

Alexander, Bernard, and Rosa McCutcheon

Donald }. O'Connor (1922-1997)

and Rizwanul Haque (1940-1998)

James Lenial Martin Ph.D., P.E.

Steven C. McCutcheon, Ph.D., P.E.

James L. Martin and Steven C. McCutcheon

James L. Martin and Steven C. McCutcheon

Fundamental Relationships for Flow and Transport

Measurement and Analysis of Flow

Rivers and Streams

Flow Models for Rivers and Streams

Non-Hydraulic Methods for Flow Estimation

Hydraulic Methods for Steady Flows

Hydraulic Methods for Unsteady Flows

Solutions of Complete Unsteady Flow Models

Lakes and Reservoirs

Stratification and Heat Transfer in Lakes and Reserooirs

Mixing in Lakes and Reservoirs

Water Balances and Multidimensional Models

Factors Affecting Transport and Mixing in Estuaries

Turbulent Mixing and Dispersion in Estuaries

Tidally Averaged Estuarine Models

Dynamic Modeling Of Estuaries

Fundamental Relationships fo r Flow and Transport

I. Mechamstic Versus Empirical M odeling................................................................................ 7

B.Solution Techniques............... .66

Measurement and Analysis o f Flow

I. Introduction...----------------- --------------- ....----------------------------------.....-------------------.93

VI. Estimating Design Flows....................................................................................................... 133

I. M echanistic Versus Em pirical M odeling

B. Extrinsic Versus Intrinsic Properties

H = (pc,T)V= C,V (2)

m^u = {pu )V = C „V (5)

C. Net Accumulation: Application of the Laws of Conservation

Accumulation = ± Transport ± Sources/Sinks (6)

4(P)^] 4(C)V] 4iP^)V]

Equation 6 establishes that accumulation is equal to transport and transformations that

III. Physical Properties of W ater

A. Density and Specific Weight

Pr = 999.842594 + 6.793952 x lO-^T - 9.095290 x KHIP

+ 1.001685 X - 1.120083 x lO-^T* + 6.536332 x lO^T’ ( 11)

p = Pj + Aps + Ap^ (13)

+ (-5.72466 X10-*+1.0277 x 10-*T -1.6546 x '2

C. Newtonian Fluids and Molecular Viscosity

, u 1.3272 (20- T ) - 0.001053(7-20)^ , ^

where C is concentration (M L"®), x is the spatial dimension measured perpendicular to a

IV. Instan taneous Equations for Fluid Flow and Transport

A. Fundamental Form of the Conservation Equations

The transport of the "concentration" of an intrinsic property (per unit volume), Q IS

which is simplified to yield

d(C^ dx dy dz) dF . , dF , ...

2) Due to diffusion or diffusion-like processes which

djC ^ d x d y dz).. d{u C ,dydz)^^ d{vC ,dxdz) d{wC,dy dx) ^

which is a generalized, three-dimensional, advective-dispersive equation for intrinsic

dw d(uw ) d{vw ) d(w w ) d ( d Í oko^ d Í dw

B. Instantaneous Equation for Continuity of Water

+ (-5.72466 X10-+1.0277 x 10-T -1.6546 x '2

and z coordinates, respectively in L T"*), constituent concentrations (C in M L-®) and tem

Statistically equations 63 through 67 state that, on average, turbulent intensity is by def

The forward-difference approximation is illustrated in Figure 34. In the forward-differ