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Surface Water-Quality Modeling

Article January 1997
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Surface
Water-Quality
Modeling
Steven C. Chapra
Tufts University

WAVELAND

PRESS, INC.
Long Grove, Illinois

CONTENTS
Preface

PART 1

Completely Mixed Systems

LECTURE 1 Introduction

1.1 Engineers and Water Quality

1.2 Fundamental Quantities
1.3 Mathematical Models
1.4 Historical Development of Water-Quality Models
1.5 Overview of This Book
Problems
LECTURE 2 Reaction Kinetics

2.1 Reaction Fundamentals

2.2 Analysis of Rate Data
2.3 Stoichiometry
2.4 Temperature Effects
Problems
LECTURE 3 Mass Balance, Steady-State Solution, and Response Time

3.1 Mass Balance for a Well-Mixed Lake

3.2 Steady-State Solutions
3.3 Temporal Aspects of Pollutant Reduction
Problems
LECTURE 4 Particular Solutions

4.1 Impulse Loading (Spill)

4.2 Step Loading (New Continuous Source)
4.3 Linear ("Ramp") Loading
4.4 Exponential Loading
4.5 Sinusoidal Loading
4.6 The Total Solution: Linearity and Time Shifts
4.7 Fourier Series (Advanced Topic)
Problems
LECTURE 5 Feedforward Systems of Reactors

5.1 Mass Balance and Steady-State

5.2 Time Variable

xvi i
1

3
4
6
10
14
19
20
24
24
29
38
40
42
47

47
52
57
62
65
66
68
70
71
73
76
80
83
86
86
91
vii

viii CONTENTS

5.3 Feedforward Reactions

Problems

LECTURE 6 Feedback Systems of Reactors

6.1 Steady-State for Two Reactors

6.2 Solving Large Systems of Reactors
6.3 Steady-State System Response Matrix
6.4 Time-Variable Response for Two Reactors
6.5 Reactions with Feedback
Problems
LECTURE 7 Computer Methods: Well-Mixed Reactors

99
101

101
103
107
111
113
117
120

7.2 Heun's Method

7.3 Runge-Kutta Methods
7.4 Systems of Equations
Problems

121
124
126
128
131

Incompletely Mixed Systems

135

7.1 Euler's Method

PART II

95

LECTURE 8 Diffusion

8.1 Advection and Diffusion

8.2 Experiment
8.3 Fick's First Law
8.4 Embayment Model
8.5 Additional Transport Mechanisms
Problems
LECTURE 9 Distributed Systems (Steady - State)

9.1 Ideal Reactors

9.2 Application of the PFR Model to Streams

9.3 Application of the MFR Model to Estuaries
Problems
LECTURE 10 Distributed Systems (Time - Variable)

10.1 Plug Flow

10.2 Random (or "Drunkard's") Walk
10.3 Spill Models

137
137
138
141
143
149
153
156

156
164
168
171
173

173
177
180

CONTENTS ix
10.4
10.5

LECTURE 11

LECTURE 13

186
189
190

Control-Volume Approach: Steady-State Solutions

192

11.1

192
194
195
197
198
201
207
208
209

11.2
11.3
11.4
11.5
11.6
11.7
11.8

LECTURE 12

Tracer Studies
Estuary Number
Problems

Control-Volume Approach
Boundary Conditions
Steady-State Solution
System Response Matrix
Centered-Difference Approach
Numerical Dispersion, Positivity, and Segment Size
Segmentation Around Point Sources
Two- and Three-Dimensional Systems
Problems

Simple Time-Variable Solutions

212

12.1
12.2
12.3
12.4

212
214
215
216
221

An Explicit Algorithm
Stability
The Control-Volume Approach
Numerical Dispersion
Problems

Advanced Time-Variable Solutions

223

13.1
13.2
13.3

223
229
230
232

Irnplicit Approaches
The MacCormack Method
Summary
Problems

PART 111

Water-Quality Environments

233

LECTURE 14

Rivers and Streams

235

14.1
14.2
14.3
14.4
14.5
14.6

River Types
Stream Hydrogeometry
Low-Flow Analysis
Dispersion and Mixing
Flow, Depth, and Velocity
Routing and Water Quality (Advanced Topic)
Problems

235
238
243
245
247
250
257

x CONTENTS
260

LECTURE 15 Estuaries

260
262

15.1 Estuary Transport

15.2 Net Estuarine Flow

15.3 Estuary Dispersion Coefficient

15.4 Vertical Stratification

Problems

263
270
272
276

LECTURE 16 Lakes and lmpoundments

276
278

16.1 Standing Waters

16.2 Lake Morphometry

16.3 Water Balance

16.4 Near-Shore Models (Advanced Topic)

Problems
LECTURE17 Sediments

282
287
293
295

295

17.1 Sediment Transport Overview

17.2 Suspended Solids

17.3 The Bottom Sediments

17.4 Simple Solids Budgets

17.5 Bottom Sediments as a Distributed System

17.6 Resuspension (Advanced Topic)

Problems
LECTURE 18 The "Modeling" Environment

18.1 The Water-Quality-Modeling Process

18.2 Model Sensitivity

18.3 Assessing Model Performance

18.4 Segmentation and Model Resolution

Problems

297
302
304
307
312
315
317

317
327
335
339
341

345

PART IV Dissolved Oxygen and Pathogens

LECTURE 19 BOD and Oxygen Saturation

19.1 The Organic Production/Decomposition Cycle

19.2 The Dissolved Oxygen Sag

19.3 Experiment

19.4 Biochemical Oxygen Demand

19.5 BOD Model for a Stream

347

347
348
351
353
355

CONTENTS xi
19.6 BOD Loadings, Concentrations, and Rates
19.7 Henry's Law and the Ideal Gas Law
19.8 Dissolved Oxygen Saturation
Problems
LECTURE20 Gas Transfer and Oxygen Reaeration

20.1 Gas Transfer Theories

20.2 Oxygen Reaeration
20.3 Reaeration Formulas
20.4 Measurement of Reaeration with Tracers
Problems
LECTURE 21 Streeter-Phelps: Point Sources

21.1 Experiment
21.2 Point-Source Streeter-Phelps Equation
21.3 Deficit Balance at the Discharge Point
21.4 Multiple Point Sources
21.5 Analysis of the Streeter-Phelps Model
21.6 Calibration
21.7 Anaerobic Condition
21.8 Estuary Streeter-Phelps
Problems
LECTURE 22 Streeter-Phelps: Distributed Sources

22.1 Parameterization of Distributed Sources

22.2 No-Flow Sources
22.3 Diffuse Sources with Flow
Problems
LECTURE 23 Nitrogen

367

369
376
377
384
386
389

389
391
391
393
396
398
399
401
403
405

405
407
410
417
419

23.1 Nitrogen and Water Quality

23.2 Nitrification
23.3 Nitrogenous BOD Model
23.4 Modeling Nitrification
23.5 Nitrification and Organic Decomposition
23.6 Nitrate and Ammonia Toxicity
Problems
LECTURE 24 Photosynthesis/Respiration

24.1 Fundamentals

357
360
361
365

419
421
424
426
428
430
432
433

433

xii CONTENTS
24.2 Measurement Methods

Problems

437
448

LECTURE 25 Sediment Oxygen Demand

450

25.1 Observations
25.2 A "Naive" Streeter-Phelps SOD Model
25.3 Aerobic and Anaerobic Sediment Diagenesis
25.4 SOD Modeling (Analytical)
25.5 Numerical SOD Model
25.6 Other SOD Modeling Issues (Advanced Topic)
Problems
LECTURE 26 Computer Methods

482

26.1 Steady-State System Response Matrix

26.2 The QUAL2E Model
Problems
LECTURE 27 Pathogens

PART V

451
455
457
459
470
474
480

482
486
500

27.1 Pathogens

27.2 Indicator Organisms

27.3 Bacterial Loss Rate

27.4 Sediment-Water Interactions

27.5 Protozoans: Giardia and Cryptosporidium

Problems

503
503
504
506
510
512
516

Eutrophication and Temperature

519

LECTURE 28 The Eutrophication Problem and Nutrients

28.1 The Eutrophication Problem

28.2 Nutrients

28.3 Plant Stoichiometry

28.4 Nitrogen and Phosphorus

Problems
LECTURE 29 Phosphorus Loading Concept

29.1 Vollenweider Loading Plots

29.2 Budget Models

29.3 Trophic-State Correlations

521

522
522
527
530
533
534
534
536
539

CONTENTS xiii
29.4
29.5

LECTURE 30

Sediment-Water Interactions
Simplest Seasonal Approach
Problems

Heat Budgets

30.1 Heat and Temperature

30.2 Simple Heat Balance
30.3 Surface Heat Exchange
30.4 Temperature Modeling
Problems
LECTURE 31

Thermal Stratification

31.1
31.2
31.3

LECTURE 32

Microbe/Substrate Modeling

32.1
32.2
32.3
32.4
32.5

LECTURE 33

Bacterial Growth
Substrate Limitation of Growth
Microbial Kinetics in a Batch Reactor
Microbial Kinetics in a CSTR
Algal Growth an a Limiting Nutrient
Problems

Plant Growth and Nonpredatory Losses

33.1
33.2
33.3
33.4
33.5
33.6
33.7

LECTURE 34

Thermal Regimes in Temperate Lakes

Estimation of Vertical Transport
Multilayer Heat Balances (Advanced Topic)
Problems

Limits to Phytoplankton Growth

Temperature
Nutrients
Light
The Growth-Rate Model
Nonpredatory Losses
Variable Chlorophyll Models (Advanced Topic)
Problems

Predator - Prey and Nutrient/Food-Chain Interactions

34.1
34.2
34.3

Lotka-Volterra Equations
Phytoplankton-Zooplankton Interactions
Zooplankton Parameters

545
551
558
560
561
563
565
571
575
577
577
580
585
588
590

590
592
596
598
600
602
603
603
605
607
609
612
613
615
621
622
622
626
629

xiv CONTENTS
34.4 Nutrient/Food-Chain Interactions

Problems

LECTURE 35 Nutrient/Food-Chain Modeling

35.1 Spatial Segmentation and Physics

35.2 Kinetic Segmentation
35.3 Simulation of the Seasonal Cycle
35.4 Future Directions
Problems
LECTURE 36 Eutrophication in Flowing Waters

36.1 Stream Phytoplankton/Nutrient Interactions

36.2 Modeling Eutrophication with QUAL2E
36.3 Fixed Plants in Streams
Problems

629
631
633

633
634
637
641
642
644

644
649
658
663

PART VI Chemistry

665

LECTURE 37 Equilibrium Chemistry

667

37.1 Chemical Units and Conversions

37.2 Chemical Equilibria and the Law of Mass Action
37.3 Ionic Strength, Conductivity, and Activity
37.4 pH and the Ionization of Water
37.5 Equilibrium Calculations
Problems
LECTURE 38 Coupling Equilibrium Chemistry and Mass Balance

38.1 Local Equilibrium

38.2 Local Equilibria and Chemical Reactions
Problems
LECTURE 39 pH Modeling

39.1 Fast Reactions: Inorganic Carbon Chemistry

39.2 Slow Reactions: Gas Transfer and Plants
39.3 Modeling pH in Natural Waters
Problems

667
669
670
672
673
676
677

677
680
682
683

683
686
689
691

CONTENTS xv
PART VII Toxics

693

LECTURE 40 Introduction to Toxic-Substance Modeling

695

LECTURE 41

LECTURE 42

40.1 The Toxics Problem

40.2 Solid-Liquid Partitioning
40.3 Toxics Model for a CSTR
40.4 Toxics Model for a CSTR with Sediments
40.5 Summary
Problems

695
697
700
705
713
713

Mass-Transfer Mechanisms: Sorption and Volatilization

715

41.1 Sorption
41.2 Volatilization
41.3 Toxicant-Loading Concept
Problems

715
727
732
737

Reaction Mechanisms: Photolysis, Hydrolysis,

and Biodegradation

42.1 Photolysis

42.2 Second-Order Relationships

42.3 Biotransformation

42.4 Hydrolysis

42.5 Other Processes

Problems
LECTURE 43 Radionuclides and Metals

43.1 Inorganic Toxicants

43.2 Radionuclides

43.3 Metals

Problems

739
739
751
751
753
755
756
757
757
758
761
768

LECTURE 44 Toxicant Modeling in Flowing Waters

44.1 Analytical Solutions

44.2 Numerical Solutions

44.3 Nonpoint Sources

Problems

769
769
778
779
782

xvi CONTENTS
LECTURE 45 Toxicant/Food-Chain Interactions

45.1 Direct Uptake (Bioconcentration)

45.2 Food-Chain Model (Bioaccumulation)
45.3 Parameter Estimation
45.4 Integration with Mass Balance
45.5 Sediments and Food Webs (Advanced Topic)
Problems
Appendixes
A Conversion Factors
B Oxygen Solubility
C Water Properties
D Chemical Elements
E Numerical Methods Primer
F Bessel Functions
G Error Function and Complement

784
785
788
790
794
795
797
798
798
801
802
803
805
817
820

References

821

Acknowledgments

834

Index

835