Groundwater and Solute Transport Modelling

CIVL 7720

L01: Groundwater Modeling

H. Holländer

hartmut.hollaender@umanitoba.ca
 Objectives

• Repetition of main definitions, equations, etc.

• Why do we use groundwater models?

2
 Hydraulic head
surface
The energy of water at a certain position is
Groundwater table
called hydraulic head h:
sum of potential energy, pressure, kinetic
Water molecule
energy
𝑃𝑃 𝑣𝑣 2
ℎ = 𝑧𝑧 + ℎ𝑝𝑝 + ℎ𝑣𝑣 = 𝑧𝑧 + +
𝜌𝜌 × 𝑔𝑔 2 × 𝑔𝑔
Aquifer base
Always based on a datum! (normally mean
sea level)

Example: Datum / reference level (0 m asl)

z = 0.75 m P = 2500 N/m2 (kg/(ms2)) v = 1·10-5 m/s h = hydraulic head [m]

(P = 0.025 bar = 0.25 m) z = datum head [m]
(g = 9.81 m/s2; ρ = 1.00·103 kg/m3) hp = pressure potential [m]
hv = kinetic energy [m]
htot-mas = 0.75 m + 0.254 m + 5.1·10-12 m ρ = density [kg/m³]
g = acceleration due to gravity [m/s²]
= 1.004 m v = flow velocity [m/s]
P = pressure [N/m²]
~0; kinetic energy is very small in
groundwater due to low flow 3
velocities
 Hydraulic head

4
Source: Hendriks (2010)
 Gradient of hydraulic head

A. Grad h in homogenous, isotropic

aquifer with a uniform horizontal flow
field.

B. Grad h in homogenous, isotropic

aquifer with a uniform flow field with a
downward component.

5
Source: Fetter (2001)
 Horizontal and vertical hydraulic conductivity

Hydraulic conductivity is a tensor in

(all) 3-dimensions
𝐾𝐾𝑥𝑥𝑥𝑥 𝐾𝐾𝑦𝑦𝑥𝑥 𝐾𝐾𝑧𝑧𝑥𝑥 Kxy = Kyx
𝐾𝐾 = 𝐾𝐾𝑥𝑥𝑦𝑦 𝐾𝐾𝑦𝑦𝑦𝑦 𝐾𝐾𝑧𝑧𝑧𝑧 Kxz = Kzx
𝐾𝐾𝑥𝑥𝑧𝑧 𝐾𝐾𝑦𝑦𝑦𝑦 𝐾𝐾𝑧𝑧𝑧𝑧 Kyz = Kzy

The values Kxx, Kyy and Kzz differ in

nature often because soil layer are
normally not homogenous and
isotropic
homogenous: similar, uniform
(K = const.) In sediments is the hydraulic
opposite: heterogeneous conductivity K in horizontal direction
isotropic: in all direction same (Kxx, Kyy) often 10 times higher than
properties in vertical direction (Kzz)
opposite : anisotropic

6
Source: Fetter (2001)
 Storage coefficient

The specific storage SS [1/m] is stored

or released volume of water ∆V per initial
volume V0 and changes in hydraulic
head ∆h
∆𝑉𝑉 1
𝑆𝑆𝑆𝑆 = ×
𝑉𝑉0 ∆ℎ
Integrated over the thickness m results in
the storage coefficient S [-]
𝑛𝑛

𝑆𝑆 = � 𝑆𝑆𝑆𝑆 𝑧𝑧 𝑑𝑑𝑑𝑑 = � 𝑏𝑏𝑖𝑖 × 𝑆𝑆𝑆𝑆,𝑖𝑖

𝑖𝑖=1
α = compressibility of the soil [m2/N]
Unconfined groundwater : β = compressibility of the fluid [m2/N]
b = thickness of the aquifer [m]
𝑆𝑆 = 𝑛𝑛𝑒𝑒 = 0.1 … … 0.3 n = total porosity
ne = effective porosity
[-]
[-]
Confined groundwater:
𝑆𝑆 = 𝜌𝜌 × 𝑔𝑔 × 𝑏𝑏 × 𝛼𝛼 × 𝑛𝑛 + 𝛽𝛽 1 × 10−5 … … 1 × 10−3
7
Source: Todd (2001)
 Laplace’s equation

Laplace’s equation is fundamental to the analysis of many groundwater

flow problems.
• Combination of Darcy’s law and the equation of continuity or
conservation of mass for a homogeneous isotropic aquifer in state flow
(rate of mass flow in = rate of mass flow out)
Formulation for the x-direction:
Inflow through the Net change = storage Outflow through the vertical face
vertical face
𝜕𝜕
𝑛𝑛 × 𝑢𝑢 𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑
𝜕𝜕𝜕𝜕

𝜕𝜕
𝑛𝑛 × 𝑢𝑢𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑 𝑛𝑛 × 𝑢𝑢 + × 𝑛𝑛 × 𝑢𝑢 𝑑𝑑𝑑𝑑 𝑑𝑑𝑑𝑑𝑑𝑑𝑑𝑑
𝜕𝜕𝜕𝜕

n = porosity [-]
u, v, w = flow velocity in x, y, z directions [L/T] 8
Source: Delleur (1999)
 Laplace’s equation

• Sum of the net changes in the x, y, z directions must be equal zero

(steady flow)
𝜕𝜕 𝜕𝜕 𝜕𝜕
𝑛𝑛 × 𝑢𝑢 + 𝑛𝑛 × 𝑣𝑣 + 𝑛𝑛 × 𝑤𝑤 = 0
𝜕𝜕𝜕𝜕 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧

• For an incompressible isotropic homogenous porous medium

𝜕𝜕𝑢𝑢 𝜕𝜕𝑣𝑣 𝜕𝜕𝑤𝑤
+ + =0
𝜕𝜕𝜕𝜕 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧
• Using Darcy’s law for an isotropic homogenous medium
𝜕𝜕ℎ 𝜕𝜕ℎ 𝜕𝜕ℎ
𝑢𝑢 = −𝐾𝐾 , 𝑣𝑣 = −𝐾𝐾 , 𝑤𝑤 = −𝐾𝐾
𝜕𝜕𝜕𝜕 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧

• Laplace’s equation is obtained in terms of the hydraulic head h

𝜕𝜕 2ℎ 𝜕𝜕 2ℎ 𝜕𝜕 2ℎ
𝛻𝛻 2 ℎ = 2 + 2 + 2 = 0
𝜕𝜕𝑥𝑥 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧
K = hydraulic conductivity [L/T] 9
h = hydraulic head [L]
 Laplace’s equation

• If the velocity components are expressed in terms of the velocity

potential Φ
𝜕𝜕Φ 𝜕𝜕Φ 𝜕𝜕Φ
𝑢𝑢 = − , 𝑣𝑣 = − , 𝑤𝑤 = −
𝜕𝜕𝜕𝜕 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧
• The Laplace’s equation is expressed in terms of the velocity potential
𝜕𝜕 2Φ 𝜕𝜕 2Φ 𝜕𝜕 2Φ
𝛻𝛻 2 Φ = 2
+ 2 + 2 =0
𝜕𝜕𝑥𝑥 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧

• If we allow storage changes in the Laplace‘s equation (steady →

transient) we receive the three-dimensional groundwater flow
equation in a isotropic homogenous medium
𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕ℎ
𝑇𝑇 × + + = 𝑆𝑆𝑆𝑆
𝜕𝜕𝑥𝑥 2 𝜕𝜕𝑦𝑦 2 𝜕𝜕𝑧𝑧 2 𝜕𝜕𝑡𝑡
10
SS = specific yield [1/L]
 Three-dimensional groundwater flow equation

• General three-dimensional groundwater flow equation in an anisotropic

medium and sink and source term
𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕ℎ
𝑚𝑚 × 𝐾𝐾𝑥𝑥 × 2 + 𝑚𝑚 × 𝐾𝐾𝑦𝑦 × 2 + 𝑚𝑚 × 𝐾𝐾𝑧𝑧 × 2 + 𝑞𝑞 𝑥𝑥, 𝑦𝑦, 𝑧𝑧, 𝑡𝑡 = 𝑆𝑆𝑆𝑆
𝜕𝜕𝑥𝑥 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧 𝜕𝜕𝑡𝑡

• three-dimensional groundwater flow equation in a isotropic

homogenous medium with sink and source term
𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝜕𝜕ℎ
𝑇𝑇 × + + + 𝑞𝑞 𝑥𝑥, 𝑦𝑦, 𝑧𝑧, 𝑡𝑡 = 𝑆𝑆𝑆𝑆
𝜕𝜕𝑥𝑥 2 𝜕𝜕𝑦𝑦 2 𝜕𝜕𝑧𝑧 2 𝜕𝜕𝑡𝑡

So, how can we solve this for large problems (scale,

heterogeneity, anisotropy)?

SS = specific yield [1/L] 11

m = thickness [L]
 Why groundwater models?

• Analog of natural system to predict future processes

– Flow - quantity
– Transport – quality
• Abstraction to the important structures
• That means: no model is „correct“!

12
 Abstraction? – Project aim & scales!

Micro scale Macro scale Field scale

pore scale laboratory scale, regional scale
scale of measurement
single pores homogenous heterogeneous
continuum continuum
(10-6 ... 10-3 m) (10-2 ... 10-1 m (100 ... 101 m)

13
 Why groundwater models?

• Interpretation of observed data

• Calculating data for non-observed points (monitoring wells are
expensive)
• Potential is observable, flux has to be calculated
• Extrapolating/predicting future states
• Experimenting where natural processes would be too slow
• Calculating variants to pick the best solution

14
 What is a model?

What is a hydrological model?

• simplified, schematic representations of a part of the hydrological
system regarding to selected properties and processes, e.g. for a
river basin, a reach of a river, a groundwater body.
It is primarily used for hydrologic prediction and for understanding
hydrologic processes.

Input Parameters Data Output

Model
e.g.:
e.g.:
- geodetic height
- river stage
- river bed roughness
- discharge
- river bed measurement
- scenarios
- river gauge data

15
 What is a model?

• Interpretation of observed data

• Calculating data for non-observed points (monitoring wells are
expensive)
• Potential is observable, flux has to be calculated
• Extrapolating/predicting future states
• Experimenting where natural processes would be too slow
• Calculating variants to pick the best solution

16
 What is modelling?

• According to the temporal behaviour of the processes we

distinguish:
– steady-state model (processes are independent in time)
– transient model (processes are dependant in time)
• According to the dimensionality of the processes we distinguish:
– 1D – Models e.g. Column Experiments
– 2D – Horizontal or vertical slice models
– Horizontal: e.g. regional flow models
– Vertical: e.g. plume of a contamination, dike cross-section
– 3D – Models e.g. layered regional flow problems
• According to the physical options we distinguish:
– Single/multiple phases/domains
– Temperature/density dependent/without temperature/density
– Flow only, with transport, with reactions

17
 Work flow during numerical modeling

1) Interpretation of the geology and hydrogeology

– Geologic maps
– Reference values for flow and if necessary transport
– Regional groundwater table maps, groundwater measurements
– Withdrawals (rate and location), recharge, if necessary
contaminant spreading
– Requirement of additional data
2) Formulation of the model concept
– Choosing the program code
– Consideration steady-state - transient, 1D - 2D - 3D, flow -
transport
– Definition of the model area, boundaries

18
 Work flow during numerical modeling

3) Model design
– Discretization of the study area (for 3D also vertical)
– Definition of the inner and outer boundary conditions
– Development of data for recharge, boundary conditions,
hydraulic parameter, initial conditions
– First model runs
4) Model validation
– Calibration: adjustment of the model by variation of the
parameter
– Validation: simulation other test days or different time periods for
testing of the ability to prognosis
– Sensitivity analysis: Identification of uncertainties by variation of
the model parameter

19
 Work flow during numerical modeling

5) Interpretation and prognosis

6) Model support
– Constant enhancement due to consideration of new cognitions
– Lasting of the model for additional questions
– Review of prognosis

20
 Conceptual model

• „Real“ hydrogeological settings have to be abstracted, simplified

and schematized
• Units with similar hydrogeological properties can be lumped (e.g.
aquifers, aquitards, aquicludes)

21
 Conceptual model

• What to include into abstraction?

– e.g., hydraulic conductivity, layered aquifer, river-stages
– More input data → higher degree of reality
– But: higher complexity → more possibilities of errors (logical or
numerical)
• How much abstraction?
– e.g., on temporal and spatial scale
– Higher level of detail → more possibilities to represent the
system
– But: is the level of detail really needed to correctly represent the
system for the given task?
• The abstraction of the conceptual model strongly depends on the
purpose of the model. Building a conceptual model and the
abstracted model may be an iterative process.

22
 Numerical models

• Finite-Difference Models (FD)

– Quadrates or rectangles (latest develop non-regular)
– Numerical easy and stabile
– Inflexible discretization

• Finite-Element Models (FE)

– Triangles or polygons
– Numerical ambitious
– Subject to numerical instability
– Very flexible discretization

• Finite-Volume Models (FV)

– Quadrates
– Exact on mass
balances
– Inflexible discretization
23
Source: McDonald and Harbaugh (1988), BGR, http://www.bgr.bund.de/EN
 FD: transient conditions

• Mass conversation

𝜕𝜕 𝜕𝜕 𝜕𝜕
div 𝑞𝑞 = 𝑣𝑣 × 𝑚𝑚 + 𝑣𝑣 × 𝑚𝑚 + 𝑣𝑣 × 𝑚𝑚 = 0
𝜕𝜕𝜕𝜕 𝑥𝑥 𝜕𝜕𝑦𝑦 𝑦𝑦 𝜕𝜕𝑧𝑧 𝑧𝑧
Top of aquifer

• Equation into Darcy equation

𝜕𝜕𝜕
𝐾𝐾𝑥𝑥 ×
𝜕𝜕𝜕𝜕
𝜕𝜕𝜕
𝑣𝑣 = −𝐾𝐾 × grad ℎ = − 𝐾𝐾𝑦𝑦 × Bottom of aquifer
𝜕𝜕𝑦𝑦
𝜕𝜕𝜕
𝐾𝐾𝑧𝑧 ×
𝜕𝜕𝑧𝑧
Control volume
𝜕𝜕 𝜕𝜕𝜕 𝜕𝜕 𝜕𝜕𝜕 𝜕𝜕 𝜕𝜕𝜕
𝑚𝑚 × 𝐾𝐾𝑥𝑥 × + 𝑚𝑚 × 𝐾𝐾𝑦𝑦 × + 𝑚𝑚 × 𝐾𝐾𝑧𝑧 ×
𝜕𝜕𝑥𝑥 𝜕𝜕𝜕𝜕 𝜕𝜕𝑦𝑦 𝜕𝜕𝑦𝑦 𝜕𝜕𝑧𝑧 𝜕𝜕𝑧𝑧
𝜕𝜕ℎ
= 𝑆𝑆𝑆𝑆 − 𝑞𝑞 𝑥𝑥, 𝑦𝑦, 𝑧𝑧, 𝑡𝑡
𝜕𝜕𝑡𝑡 24
Source: Kinzelbach & Rausch (1995)
 Difference approximation of derivates

• Let‘s use a 2D example. The PDE becomes:

𝜕𝜕 2 ℎ 𝜕𝜕 2 ℎ 𝑆𝑆 𝜕𝜕𝜕
2
+ 2=
𝜕𝜕𝑥𝑥 𝜕𝜕𝜕𝜕 𝑇𝑇 𝜕𝜕𝜕𝜕
• Basic Idea: Partial derivatives are replaced with difference quotients
(Taylor series expansion disregarding member of higher order)
• Approximating the time derivative:
h = hydraulic head [L]
𝜕𝜕𝜕𝑖𝑖,𝑗𝑗 ∆ℎ ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛 − ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛−1 n = time index [-]
≈ ≈
𝜕𝜕𝜕𝜕 𝑛𝑛∆𝑡𝑡
∆𝑡𝑡 ∆𝑡𝑡 i,j = x and y coordinate
indices [-]
∆t = time step [T]

head

hn
∆h
hn-1
∆t

tn-1 tn time 26
 Difference approximation of derivates

• Considering a 2D discretization with equal hi,j+1

grid spacing in the x- and y-direction:
𝜕𝜕 2 ℎ
• Approximate derivative at location hi,j:
𝜕𝜕𝑥𝑥 2 hi-1,j hi,j hi+1,j
• Approximate the second spatial derivative
at i,j as follows: i-1/2 i+1/2

𝜕𝜕𝜕𝑖𝑖+1/2,𝑗𝑗 𝜕𝜕𝜕𝑖𝑖−1/2,𝑗𝑗 hi,j-1

𝜕𝜕 2 ℎ 𝜕𝜕 𝜕𝜕𝜕 −
= ≈ 𝜕𝜕𝜕𝜕 𝜕𝜕𝑥𝑥 y
𝜕𝜕𝑥𝑥 2 𝜕𝜕𝜕𝜕 𝜕𝜕𝜕𝜕 ∆𝑥𝑥
x
• We can approximate the first spatial
derivative at i-1/2,j and i+1/2,j as follows:

𝜕𝜕 2 ℎ𝑖𝑖−1/2,𝑗𝑗 ℎ𝑖𝑖,𝑗𝑗 − ℎ𝑖𝑖−1,𝑗𝑗 𝜕𝜕 2 ℎ𝑖𝑖+1/2,𝑗𝑗 ℎ𝑖𝑖+1,𝑗𝑗 − ℎ𝑖𝑖,𝑗𝑗

2
≈ and
2
≈
𝜕𝜕𝑥𝑥 ∆𝑥𝑥 𝜕𝜕𝑥𝑥 ∆𝑥𝑥

27
 Difference approximation of derivates

• Substitute the equations to obtain:

ℎ𝑖𝑖+1,𝑗𝑗 − ℎ𝑖𝑖,𝑗𝑗 ℎ𝑖𝑖,𝑗𝑗 − ℎ𝑖𝑖−1,𝑗𝑗
𝜕𝜕 2 ℎ −
𝑖𝑖,𝑗𝑗
≈ ∆𝑥𝑥 ∆𝑥𝑥 or
𝜕𝜕𝑥𝑥 2 ∆𝑥𝑥

𝜕𝜕 2 ℎ𝑖𝑖,𝑗𝑗 ℎ𝑖𝑖−1,𝑗𝑗 − 2ℎ𝑖𝑖,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗

≈
𝜕𝜕𝑥𝑥 2 ∆𝑥𝑥 2

• In the y-direction:

𝜕𝜕 2 ℎ𝑖𝑖,𝑗𝑗 ℎ𝑖𝑖,𝑗𝑗−1 − 2ℎ𝑖𝑖,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗+1

≈
𝜕𝜕𝑦𝑦 2 ∆𝑦𝑦 2

• Combining the flow equation terms:

𝜕𝜕 2 ℎ𝑖𝑖,𝑗𝑗 𝜕𝜕 2 ℎ𝑖𝑖,𝑗𝑗 𝑆𝑆 𝜕𝜕ℎ𝑖𝑖,𝑗𝑗
+ ≈
𝜕𝜕𝑥𝑥 2 𝜕𝜕𝑦𝑦 2 𝑇𝑇 𝜕𝜕𝑡𝑡 𝑛𝑛∆𝑡𝑡
28
 Difference approximation of derivates

• For the backwards difference time derivative (note: all left hand
side values of h are for time = n-1):

ℎ𝑖𝑖−1,𝑗𝑗 − 2ℎ𝑖𝑖,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗 ℎ𝑖𝑖,𝑗𝑗−1 − 2ℎ𝑖𝑖,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗+1 𝑆𝑆 ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛 − ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛−1

+ =
∆𝑥𝑥 2 ∆𝑦𝑦 2 𝑇𝑇 ∆𝑡𝑡
Linear differential equation (not PDE anymore!).
This equation is not explicit for h at any particular time.
• If ∆x and ∆y are equal – this is the finite difference groundwater flow
equation:
ℎ𝑖𝑖−1,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗−1 + ℎ𝑖𝑖,𝑗𝑗+1 − 4ℎ𝑖𝑖,𝑗𝑗 𝑆𝑆 ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛 − ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛−1
=
∆𝑥𝑥 2 𝑇𝑇 ∆𝑡𝑡
𝜕𝜕ℎ ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛 − ℎ𝑖𝑖,𝑗𝑗,𝑛𝑛−1
• For steady state conditions: 𝑆𝑆 ≈ 𝑆𝑆 =0
𝜕𝜕𝑡𝑡 ∆𝑡𝑡
ℎ𝑖𝑖−1,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗−1 + ℎ𝑖𝑖,𝑗𝑗+1 − 4ℎ𝑖𝑖,𝑗𝑗
=0
∆𝑥𝑥 2
29
 Difference approximation of derivates

ℎ𝑖𝑖−1,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗−1 + ℎ𝑖𝑖,𝑗𝑗+1 − 4ℎ𝑖𝑖,𝑗𝑗 = 0

ℎ𝑖𝑖−1,𝑗𝑗 + ℎ𝑖𝑖+1,𝑗𝑗 + ℎ𝑖𝑖,𝑗𝑗−1 + ℎ𝑖𝑖,𝑗𝑗+1

= ℎ𝑖𝑖,𝑗𝑗
4

• Example: Value of head at node is the average of the surrounding

nodes (for isotropic homogeneous cases)
hi,j+1

10

hi-1,j hi,j hi+1,j

11 10 9

hi,j-1
y
10
30
x
 Finite Difference (FD): Spatial discretization

• Spatial discretization of nabla operators

– Upwind scheme (first-order)
𝜕𝜕𝑞𝑞𝑗𝑗 𝑞𝑞𝑗𝑗+1 − 𝑞𝑞𝑗𝑗
=
𝜕𝜕𝜕𝜕 ∆𝑥𝑥
– Downwind scheme (first-order)
𝜕𝜕𝑞𝑞𝑗𝑗 𝑞𝑞𝑗𝑗 − 𝑞𝑞𝑗𝑗−1
=
𝜕𝜕𝜕𝜕 ∆𝑥𝑥
– Central scheme (first-order)
𝜕𝜕𝑞𝑞𝑗𝑗 𝑞𝑞𝑗𝑗+1 − 𝑞𝑞𝑗𝑗−1
=
𝜕𝜕𝜕𝜕 2 × ∆𝑥𝑥

q = flow density [L/T]

n = time index [-]
j = space index [-] 32
 Advantages and disadvantages: implicit and explicit solver

Explicit solver
• Advantages
– Simple solution, per time step only low computing time
• Disadvantages
– Stability problems since an error (numerical inaccuracy) can get
larger from time step to time step ⇒ very restrictive time step
constraints

Implicit solver
• Advantages
– Unrestricted stability so that larger time steps are possible
• Disadvantages
– Solution of the system of equations is only possible by time- and
computing intensive iterations for every time step

33
 Finite Difference (FD): Temporal discretization

• Temporal discretization of nabla operators (one-step procedure)

– Explicit solver (Calculation of a state variable only with values of
the old time step)
𝑞𝑞𝑗𝑗+1 − 𝑞𝑞𝑗𝑗
= 𝐴𝐴 × 𝑞𝑞 𝑛𝑛
∆𝑥𝑥
– Implicit solver (Consideration of state variables of the
neighbouring grid points of the new time step)
𝑞𝑞𝑗𝑗 − 𝑞𝑞𝑗𝑗−1
= 𝐴𝐴 × 𝑞𝑞 𝑛𝑛+1
q = flow density [L/T]
∆𝑥𝑥 n = time index
j = space index
[-]
[-]

q unknown

q known

34
 Box scheme (Preissmann scheme)

• For w = 0: explicit
• For w = 1: implicit
• Stabile at w > 0.5
• Best value (empirical):
q known w ≈ 0.55 – 0.60
q interpolated
• Larger values generate
q unknown numerical attenuation

𝑞𝑞𝑛𝑛+1 − 𝑞𝑞𝑛𝑛
= 𝑤𝑤 × 𝐴𝐴𝐴𝐴𝑛𝑛+1 + 1 − 𝑤𝑤 × 𝐴𝐴𝐴𝐴 𝑛𝑛
∆𝑡𝑡
q = flow density [L/T]
n = time index [-]
j = space index [-] 35
 Differential equation

• Solving in finite differences (1D) 1 2 3

𝜕𝜕 𝜕𝜕𝜕 𝜕𝜕ℎ
𝑚𝑚 × 𝐾𝐾𝑥𝑥 × = 𝑆𝑆𝑆𝑆 − 𝑞𝑞 𝑥𝑥, 𝑦𝑦, 𝑧𝑧, 𝑡𝑡
𝜕𝜕𝑥𝑥 𝜕𝜕𝜕𝜕 𝜕𝜕𝑡𝑡 ∆x
𝜕𝜕 𝜕𝜕𝜕 𝑚𝑚 𝐾𝐾𝑥𝑥 × ℎ3 − ℎ2 𝐾𝐾𝑥𝑥 × ℎ2 − ℎ1
𝑚𝑚 × 𝐾𝐾𝑥𝑥 × = × −
𝜕𝜕𝑥𝑥 𝜕𝜕𝜕𝜕 ∆𝑥𝑥 ∆𝑥𝑥 ∆𝑥𝑥

36
Source: McDonald and Harbaugh (1988)
 Iterations and time steps

Time step m+1

Time step m

Time step m-1

37
Source: McDonald and Harbaugh (1988)
 Time constraints: Courant (Cu) condition
Flow length that a water particle travels within ∆t
𝑢𝑢 × ∆𝑡𝑡
• Courant number 𝐶𝐶𝐶𝐶 = <1
∆𝑥𝑥
Spatial distance between two adjacent nodes
• Cu = 1
– Water particle reaches starting from one node within one time
step the adjacent node (no numerical diffusion)
• Cu > 1
– At least one cell will be skipped during ∆t (stability problems!)
– Information (result) is located generally in the interspace
between two notes which is addressed by interpolation (to
located it on the note again) (numerical diffusion!)
• Cu < 1 (empirical best value to minimize numerical diffusion: Cu ≈ 1)
– Information (result) is located generally in the interspace
between two nodes which is addressed by interpolation (to
located it on the node again) (numerical diffusion!)

Cu = Courant number [-]

u = flow velocity [L/T] 39
∆x = distance between two notes [L]
 Numerical diffusion

• Due to truncation error of the Taylor series expansion

• Exposition by non-physical maceration of sharp interfaces (strong
gradients)
• Caused by the numerical solution of the advective transport process
(very pronounced in transport problems with strong advective
components)
Example for numerical
diffusion

Time [min] 40
 Numerical oscillation

• Mainly in direct neighbourhood of strong gradients

• Noticeable errors!
• Endanger seriously the stability of the solution
• Very obvious therefore not that dangerous than numerical diffusion
• Reduction/elimination by changing the spatial and temporal
resolution of the model
• Dampening by artificial diffusion ⇒ falsified results!

41
Time [min]
 FD-model: MODFLOW by USGS

• 1983-1988: Development by McDonald and Harbaugh (1988)

(MODFLOW-88)
• 1996: MODFLOW-96 (Changes of the formats of input and
output files) (Harbaugh and McDonald, 1996 a, b)
• 2000: MODFLOW-2000 (Changes of the model modules)
(Harbaugh et al., 2000)
• 2005: MODFLOW-2005 (internal data structures and opening
of them for other subroutines, actual version 1.11))
(Harbaugh, 2005)
• 2011: MODFLOW-NWT: Newton Formulation (improvement
on unconfined groundwater-flow problems, drying &
wetting) (Niswonger et al., 2011)
• 2013: MODFLOW-LGR, actual version 2 (MODLFOW-2005
version--with Local Grid Refinement)

42
Source: http://water.usgs.gov/ogw/modflow/
 FD-model: MODFLOW by USGS

• 2014: MODFLOW-USG (UnStructured Grid, version 1.2)

(Panday et al.,2013)

• Several extensions
– Subregional water budgets (Zonebudget)
– Flow lines (MODPATH, actual version 6.01)
– Density-driven flow (SEAWAT, actual version 4.00)
– Inverse Calibration (PEST - Parameter ESTimation)

• Without own GUI but several GUIs available (Processing

MODFLOW, Visual MODFLOW, ModelMuse, Groundwater Vistas,
GMS, etc.)

43
Source: http://water.usgs.gov/ogw/modflow/
 Free programs: links

• Processing MODFLOW (PMWIN) by Kinzelbach & Chiang: free

download of version 5.3.2 including manual at
http://www.ifu.ethz.ch/publications/software/pmwin
Also available as book:
Wen-Hsing Chiang and Wolfgang Kinzelbach: Processing Modflow
for Windows (PMWIN) Version 5.3 is included in the book "3D-
Groundwater Modeling with PMWIN" published by Springer-Verlag
(ISBN 3-540-67744-5, Springer-Verlag, Berlin, Heidelberg, New
York).
Actual version: Processing MODFLOW 8.042 Professional for sale
http://www.simcore.com/
• ModelMuse by USGS: free download of actual version 3.4.0.0s
including documentation at
http://water.usgs.gov/nrp/gwsoftware/ModelMuse/ModelMuse.html

44
 Other programs: links

• Visual MODFLOW by Schlumberger Water Services:

http://www.swstechnology.com/groundwater-modeling-
software/visual-modflow-flex
30-days free trial available
• Groundwater Vistas:
http://www.rockware.com/product/overview.php?id=147 (only
distributor)
free trial available
• GMS by Aquaveo: http://www.aquaveo.com/software/gms-modflow
free base version (limited grid size) and free trial available

45
 Possibilities and limitations

• Possibilities
– Calculation of groundwater flow
– porous media or equivalent rocks (e.g. hard rock aquifer in
regional scales)

• Limitations
– No density or temperature depended flow
– No multi phase flow (e.g. air-water-mixture)
– Hard rock aquifers (locale flow problems)

46
 Sizes: investigation area, model area, and conclusion area

• Investigation area: large scale

area with available data
• Model area: area with edges
which allow a clear definition of
boundary conditions while
respecting hydrogeologic data
Edges should be chosen by
hydrogeologic boundaries as
potential lines, rivers, geologic
layers etc.
• Conclusion area: area in which
the conclusions regarding the
problem can be made with ample
accuracy

Investigation area > Model area > Conclusion area

47
 Discretization (until MODFLOW-2005)

48
Source: McDonald and Harbaugh (1988)
 Discretization (MODFLOW-USG)

• increase the grid resolution horizontally and vertically around

desirable features, e.g. for
– Modeling complex geological structures (such as faults)
– Minimizing Numerical Dispersion in a Localized Contaminant
Transport model: focus vertical resolution around the migrating
plume front, with coarser grids in lower layers
– Adaptive discretization in the gradients around steep surfaces in
order to overcome “disconnected” cells

Example for modeling ending layers

49
Source: SWS Technology, http://www.swstechnology.com
 Discretization (MODFLOW-USG)

• Example: surface water / ground

water interactions: upper layers
can be refined around rivers/
streams, with coarser grid
resolution in lower layers

50
Source: SWS Technology, http://www.swstechnology.com
 Numerical solver

Historical solver
• SSOR (Slice Successive Over-Relaxation, variant of Gauss-Seidel
method)
– High memory consumption
– Rather slow solution
– Numerical instable especially for complex problems
– Favorably when flow lines directly along the grid

• SIP (Strongly Implicit Procedure)

– Low memory consumption
– Slow
– Numerical robust, but produces errors in the mass balance

51
 Numerical solver

Newer solver
• PCG2 (Preconditioned Conjugate-Gradient 2)
– Same memory consumption as SIP
– Faster than SIP and SSOR
– Numerical robust but problems at some complex systems

• Multigrid Solver (e.g. AMG - Parallel Algebraic MultiGrid Methods)

– Very good suited for models with large differences in hydraulic
conductivity
– (Much) faster than PCG2 (potential of parallel computing)
– (Distinct) higher memory consumption than PCG2

52
 Boundary conditions

• Boundary conditions are necessary to define how the site specific

model interacts with entire flow system.

• Occur always at the edges of the active model area.

• Can appear also inside the model domain.
• So they make a piece of computer code a site specific model.

• Boundaries are largely responsible for how flow occurs in the

system.

⇒ The most likely source of error in the modeling process

53
 Boundary conditions

Physical boundaries
• Model boundaries correspond with actual physical boundaries.
• Faults, facies changes, surface water bodies

Hydraulic boundaries
• Model boundaries corresponding with hydrologic conditions.
• Ground-water divides
– At recharge or discharge areas
– Topographically high or low areas
• Streamlines
– If steady-state, separate the aquifer
– If transient, need to simulate how boundary changes position
– Can represent Toth's concepts of local, intermediate or regional
flow systems

54
 Boundary condition: constant head (Dirichlet condition)

• Fixed (constant) head given as hydraulic head hB

• The constant head is a function of space and time and generally be
defined for all time steps
ℎ𝐵𝐵 = 𝑓𝑓 𝑥𝑥𝐵𝐵 , 𝑦𝑦𝐵𝐵 , 𝑧𝑧𝐵𝐵 , 𝑡𝑡

• Typical examples for a constant head boundary condition are:

– The water level of surface water bodies which are not effect by
the groundwater flow (first approximation)
– Boundaries where the hydraulic head in the model domain is
only marginally influenced
– Boundaries where the hydraulic head is artificially regulated (by
infiltration or withdrawal)

hB = hydraulic head of the boundary [L]

xB, yB, zB = position of the boundary [-]
t = time [T] 55
 Boundary condition: constant head (Dirichlet condition)

Constant head boundary

Q
hB > hi

hi > hB
∆h
hB > hi

Constant head hB < hi

hB = hydraulic head defined as boundary condition [L] 56

hi = hydraulic head inside the predicted area [L]
 Boundary condition: specified flow (Neumann condition)

• A specified flow (flux) is given across the boundary (inflow/outflow

rate into/out of the predicted domain)
• The specified flow is a function of space and time and generally be
defined for all time steps
𝑄𝑄𝐵𝐵 = 𝑣𝑣 × 𝐴𝐴𝐵𝐵 = 𝑓𝑓 𝑥𝑥𝐵𝐵 , 𝑦𝑦𝐵𝐵 , 𝑧𝑧𝐵𝐵 , 𝑡𝑡
• Typical examples for a specified flow boundary
condition are:
– Groundwater which flows through the
boundary into another (sub)catchment or
which comes from another (sub)catchment
– Recharge at the upper interface of the modelled domain
– Impermeable barriers also called no-flow boundary having a
flux of zero
QB = discharge at the boundary [L3/T]
v = flow velocity [L/T]
AB = area of the boundary [L2]
xB, yB, zB = position of the boundary [-] 57
Source: McDonald and Harbaugh (1988) t = time [T]
 Boundary condition: specified flow (Neumann condition)

Constant inflow or outflow

Pumping or infiltration

58
 Boundary condition: specified flow (Neumann condition)

Recharge

Dry grid cells

59
 Boundary condition: specified flow (Neumann condition)

Recharge

60
Source: McDonald and Harbaugh (1988)
 Boundary condition: specified flow (Neumann condition)

Evapotranspiration
PET
Surface

AET

AET
AET = 0
before MODFLOW-2000
MODFLOW-2000 and later
Depth
PET = potential evapotranspiration [L3/T] 61
AET = actual evapotranspiration [L3/T]
Boundary condition: Head-dependent flow (Cauchy or mixed condition)

• Is a colmation layer located between the boundary and the predicted

domain then the inflow/outflow into/out off the domain is reduced.
• The specified flow is a function of space and time and generally be
defined for all time steps
ℎ𝑜𝑜 − ℎ𝑖𝑖 ℎ𝑜𝑜 − ℎ𝑖𝑖
𝑣𝑣𝐵𝐵 = =
𝑐𝑐 𝐷𝐷�
𝐾𝐾𝑐𝑐
• Typical examples for a specified flow boundary
condition are:
– The colmation layer at the bottom of a river

vB = velocity into/out off the boundary [L/T]

ho = hydraulic head outside predicted area (boundary) [L]
hi = hydraulic head inside the predicted area [L]
c = colmation factor [T]
D = thickness of the colmation layer [L] 62
Kc = hydraulic conductivity of the colmation layer [L/T]
Boundary condition: Head-dependent flow (Cauchy condition)

D
Kc Kc D

ho hi ho hi

63
 Boundary condition: Head-dependent flow (Cauchy condition)

Rivers, canals, trenches, etc.

𝐾𝐾𝑟𝑟𝑟𝑟𝑟𝑟𝑟𝑟𝑟𝑟 × 𝐿𝐿 × 𝑊𝑊
𝑄𝑄𝐵𝐵 = × ℎ𝑜𝑜 − ℎ𝑖𝑖
𝑀𝑀 Q
hRB = hi
ho > h i

∆h

ho < hi

Kriver = hydraulic conductivity of the river bed [L/T]

M = thickness of the river bed (colmation layer) [L]
ho = hydraulic head outside predicted area (boundary) [L]
hi = hydraulic head inside the predicted area [L] 64
Source: McDonald and Harbaugh (1988) hRB = elevation of the river bed [L]
Boundary condition: Head-dependent flow (Cauchy condition)

General head boundary

Q
c
ho > hi

∆h

ho < hi
Constant head

ho = hydraulic head outside predicted area (boundary) [L] 65

hi = hydraulic head inside the predicted area [L]
Boundary condition: Head-dependent flow (Cauchy condition)

Calculation of a river as sink/

source and analytical calculation of
the discharge in the river using the
Manning-Strickler equation
2�
𝑄𝑄 = 𝑣𝑣 × 𝐴𝐴 = 𝑘𝑘𝑠𝑠𝑠𝑠 × 𝑟𝑟ℎ𝑦𝑦 3 × 𝑖𝑖 × 𝐴𝐴

This attempt is outdate. Actual

modelling software couple surface
water models with groundwater
models (e.g. MIKE SHE)

kst = Manning-Strickler coefficient) [(L1/3/T] 66

rhy = hydraulic radius [L]
Boundary condition: Head-dependent flow (Cauchy condition)

Drainage

Q
ho > hi

∆h

ho < hi
Special conductivity (≠ hydraulic conductivity of layer)

ho = hydraulic head outside predicted area (boundary) [L] 67

hi = hydraulic head inside the predicted area [L]
Boundary condition: Head-dependent flow (Cauchy condition)

Drainage

river

Drainage
Out of the model As input for another
region in the model

68
 Designing boundaries

Designing the boundaries in the conceptual and numerical model

• Use physical boundaries whenever possible.
– Tend to be more stable with time.
• Try to use a lower impermeable hydrostratigraphic unit as the lower
boundary.
– Usually at least a 2 order of magnitude difference in K.
– If the flux out of the lower unit is known use it instead.
– Deep fluxes are rarely know.
– Can estimate fluxes using Darcy's Law.
• When using hydraulic boundaries
– Try to find regional ground-water divides.
– Be sure to determine how the boundary changes with time.
– Divides for local and intermediate flow systems likely to be
transient.
– If simulating short times, local and regional divides may be
sufficient.
69
 Designing boundaries

• Most models are a mix of all types of boundaries.

• Can't use all specified flux boundaries.

– Must have a specified head for initial difference calculation.
– Needs a specified head for reference.
• Specified head boundaries supply unlimited flux.
• May want to use specified head first, then change to specified flux.
– Determine influence of head on flux.
– If there is no difference then the model is insensitive

70
 Initial condition

• An initial condition (t = 0) is for the calculation of transient flow at

every note necessary. This includes boundary conditions.
• The constant head is a function of space and time and generally be
defined for all time steps
ℎ𝐼𝐼 = 𝑓𝑓 𝑥𝑥, 𝑦𝑦, 𝑧𝑧, 𝑡𝑡 = 0

• Generally every state can be used which was determined by

measurements or calculations.
• Practical is e.g. a state which states steady-state or quasi-steady-
state conditions (average over a long period).

hI = initial hydraulic head [L]

x, y, z = position within the model domain [-]
t = time [T] 72
 Finite element method (FE) using 2D flow as an example

Trial solution

𝑛𝑛

ℎ� 𝑥𝑥, 𝑦𝑦, 𝑡𝑡 = � ℎ𝑖𝑖 𝑡𝑡 𝑤𝑤𝑖𝑖 𝑥𝑥, 𝑦𝑦

𝑖𝑖=1

Method comprises discretization of domain

interpolation between nodal values

patch

hi(t) = Node functions

hi = Nodal value in steady state case 73
wi(x,y) = Interpolation functions
Simplest variant: Triangular elements and linear interpolation

• Description of the function h(x,t) by interpolation functions at the

nodes
• Nodes can build any grid within the model domain (generally
triangles)

Model domain Boundary

To the outside 𝑛𝑛𝑟𝑟
Node
directed normal
Element

Thickness (generally constant)

74
 Finite element method (FE)

Compare method for

h3 Node 3
construction of contour (x3, y3)
lines of heads
h2
h1

h Node 1 Node 2
(x1, y1) Element (x2, y2)
y

75
 Triangular elements and linear interpolation

ℎ� 𝑥𝑥, 𝑦𝑦 = 𝛼𝛼 + 𝛽𝛽𝛽𝛽 + 𝛾𝛾𝛾𝛾

1
= ℎ 𝐴𝐴 + 𝐵𝐵1 𝑥𝑥 + 𝐶𝐶1 𝑦𝑦 + ℎ2 𝐴𝐴2 + 𝐵𝐵2 𝑥𝑥 + 𝐶𝐶2 𝑦𝑦 + ℎ3 𝐴𝐴3 + 𝐵𝐵3 𝑥𝑥 + 𝐶𝐶3 𝑦𝑦
𝐷𝐷 1 1

1 𝑥𝑥1 𝑦𝑦1
𝑤𝑤𝑤𝑤𝑤𝑤𝑤 𝐷𝐷 = 1 𝑥𝑥2 𝑦𝑦2 = 2𝐹𝐹∆
1 𝑥𝑥3 𝑦𝑦3

A1 = x2y3 – y2x3 B1 = y2 – y3 C1 = x3 – x2
A2 = x3y1 – y3x1 B1 = y3 – y1 C1 = x1 – x3
A3 = x1y2 – y1x2 B1 = y1 – y2 C1 = x2 – x1

76
 Calculation of Darcy velocity

1
𝑣𝑣𝑥𝑥 = −𝐾𝐾 𝐵𝐵1 ℎ1 + 𝐵𝐵2 ℎ2 + 𝐵𝐵3 ℎ3
𝐷𝐷
1
𝑣𝑣𝑦𝑦 = −𝐾𝐾 𝐶𝐶1 ℎ1 + 𝐶𝐶2 ℎ2 + 𝐶𝐶3 ℎ3
𝐷𝐷

Example: flux across tringle side 32

3 QS1 = orthogonal projection of v on side 32 ×

thickness × length 32
v n32
1
Unit normal vector of side 32:
𝑦𝑦2 − 𝑦𝑦3
y − 𝑥𝑥2 − 𝑥𝑥3
𝑛𝑛32 =
𝑥𝑥2 − 𝑥𝑥3 2 + 𝑦𝑦2 − 𝑦𝑦3 2
2
x
77
 Calculation of fluxes across triangle sides

𝑣𝑣𝑥𝑥 𝑦𝑦2 − 𝑦𝑦3

𝑄𝑄𝑆𝑆𝑆 = 𝑣𝑣 − 𝑥𝑥2 − 𝑥𝑥3 𝑚𝑚 3
𝑦𝑦

𝑣𝑣𝑥𝑥 𝑦𝑦3 − 𝑦𝑦1 v n32

𝑄𝑄𝑆𝑆𝑆 = 𝑣𝑣 − 𝑥𝑥3 − 𝑥𝑥1 𝑚𝑚 1
𝑦𝑦

𝑣𝑣𝑥𝑥 𝑦𝑦1 − 𝑦𝑦2

𝑄𝑄𝑆𝑆𝑆 = 𝑣𝑣 − 𝑥𝑥1 − 𝑥𝑥2 𝑚𝑚 y
𝑦𝑦

2
x

Continuity requires:

𝑄𝑄𝑆𝑆𝑆 + 𝑄𝑄𝑆𝑆𝑆 + 𝑄𝑄𝑆𝑆𝑆 = 0

78
 Concept of nodal fluxes

Flux across side is distributed half-half over endpoints

𝑊𝑊1 = 0.5𝑄𝑄𝑆𝑆𝑆 + 0.5𝑄𝑄𝑆𝑆𝑆 𝑊𝑊1 = −0.5𝑄𝑄𝑆𝑆𝑆

𝑊𝑊2 = 0.5𝑄𝑄𝑆𝑆𝑆 + 0.5𝑄𝑄𝑆𝑆𝑆 𝑊𝑊2 = −0.5𝑄𝑄𝑆𝑆𝑆

𝑊𝑊3 = 0.5𝑄𝑄𝑆𝑆𝑆 + 0.5𝑄𝑄𝑆𝑆𝑆 𝑊𝑊3 = −0.5𝑄𝑄𝑆𝑆𝑆

𝑇𝑇
𝑊𝑊1 = ℎ1 𝐵𝐵1 𝐵𝐵1 + 𝐶𝐶1 𝐶𝐶1 + ℎ2 𝐵𝐵2 𝐵𝐵1 + 𝐶𝐶2 𝐶𝐶1 + ℎ3 𝐵𝐵3 𝐵𝐵1 + 𝐶𝐶3 𝐶𝐶1
2𝐷𝐷
𝑇𝑇
𝑊𝑊2 = ℎ1 𝐵𝐵2 𝐵𝐵1 + 𝐶𝐶2 𝐶𝐶1 + ℎ2 𝐵𝐵2 𝐵𝐵2 + 𝐶𝐶2 𝐶𝐶2 + ℎ3 𝐵𝐵3 𝐵𝐵2 + 𝐶𝐶3 𝐶𝐶2
2𝐷𝐷
𝑇𝑇
𝑊𝑊3 = ℎ1 𝐵𝐵3 𝐵𝐵1 + 𝐶𝐶3 𝐶𝐶1 + ℎ2 𝐵𝐵3 𝐵𝐵2 + 𝐶𝐶3 𝐶𝐶2 + ℎ3 𝐵𝐵3 𝐵𝐵3 + 𝐶𝐶3 𝐶𝐶3
2𝐷𝐷

79
 Concept of nodal fluxes

Nodal flux contributions of element e to node i

0.5

0.5

Same from all other elements in the patch. Summation leads to water
balance. But before we can do that, a unique notation is required….

80
 Simplified notation

Definitions for transformation into global matrices

3
𝐵𝐵𝑖𝑖 𝐵𝐵𝑗𝑗 + 𝐶𝐶𝑖𝑖 𝐶𝐶𝑗𝑗 𝑇𝑇
𝐸𝐸𝑖𝑖𝑖𝑖 = 𝑊𝑊𝑖𝑖 = � 𝐸𝐸𝑖𝑖𝑖𝑖 ℎ𝑗𝑗
2𝐷𝐷 𝑗𝑗=1

Transformation using…

𝐾𝐾 = 𝑛𝑛 𝑒𝑒, 𝑖𝑖 𝑖𝑖 = 1,2,3; 𝑒𝑒 = 1, … , 𝑀𝑀

Incidence matrix

𝑥𝑥𝑖𝑖 𝑒𝑒 → 𝑥𝑥𝑘𝑘 , 𝑦𝑦𝑖𝑖 𝑒𝑒 → 𝑦𝑦𝑘𝑘 , ℎ𝑖𝑖 𝑒𝑒 → ℎ𝑘𝑘

𝑊𝑊𝑖𝑖 𝑒𝑒 → 𝑊𝑊𝑘𝑘 𝑒𝑒 , 𝐸𝐸𝑖𝑖𝑗𝑗 𝑒𝑒 → 𝐸𝐸𝑘𝑘𝑘𝑘 𝑒𝑒 , 𝐾𝐾 = 𝑛𝑛 𝑒𝑒, 𝑖𝑖 ; 𝑙𝑙 = 𝑛𝑛 𝑒𝑒, 𝑗𝑗

81
Embedding of 3 x 3 element matrix into global matrix

0 ⋮ 0 ⋮ 0 ⋮ 0
𝑛𝑛 𝑒𝑒, 1 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯
0 ⋮ 0 ⋮ 0 ⋮ 0
𝑛𝑛 𝑒𝑒, 2 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯ N
0 ⋮ 0 ⋮ 0 ⋮ 0
𝑛𝑛 𝑒𝑒, 3 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯ 𝐸𝐸 ⋯
0 ⋮ 0 ⋮ 0 ⋮ 0
𝑛𝑛 𝑒𝑒, 1 𝑛𝑛 𝑒𝑒, 2 𝑛𝑛 𝑒𝑒, 3

82
 Water balance through adding up of nodal fluxes in global form

Mass balance: −Ʃ Nodal fluxes + source/sink in node = 0

Example: M = 5 e1
e2 Node k
e5

e3
e4

𝑀𝑀 𝑀𝑀

− � 𝑊𝑊𝑘𝑘 𝑒𝑒 + 𝑄𝑄𝑘𝑘 = − � � 𝐸𝐸𝑘𝑘𝑘𝑘 𝑒𝑒 ℎ𝑙𝑙 + 𝑄𝑄𝑘𝑘 = 0

𝑒𝑒=1 𝑒𝑒=1 𝑙𝑙

Sum is overall element of patch k; k = 1 to n

83
 Procedure at boundaries

Prescribed piezometric head at node i:

• Replace balance equation at node i by hi(t) = f(t)

Prescribed boundary flux:

• Distribute over boundary nodes and take as nodal source/sink

Boundary flux

84
 Procedure for areal recharge

Areal flux (e.g. recharge) is divided into three parts and added to nodal
fluxes

85
Water balance through adding up of nodal fluxes in global form

Sum represents water balance over colored part of patch

Without areally distributed recharge

With areally distributed recharge

86
 Finally: Equation system

𝐴𝐴 ℎ = 𝑏𝑏
• Differences to FD:
– larger bandwidth,
– more non-zero coefficients,
– different weights in matrix A

• Advantages:
– local refinement feasible,
– flexible adaptation to complex aquifer geometry,
– easy implementation of anisotropy

87
 Transient case

Difference to FD: non-local storage

• FD: Change of head in node i contributes only to storage in cell i
• FE: Change of head in node i contributes to storage at all other
nodes of the patch

FD FE
∆h
∆h

88
 Transient case

Consequence: Storage matrix in FE non-diagonal

𝑁𝑁 𝑁𝑁
𝜕𝜕ℎ𝑗𝑗
� 𝑅𝑅𝑖𝑖,𝑗𝑗 + � 𝐴𝐴𝑖𝑖,𝑗𝑗 ℎ𝑗𝑗 = 𝐵𝐵𝑖𝑖
𝜕𝜕𝑡𝑡
𝑗𝑗=1 𝑗𝑗=1

This equation is usually solved with finite differences in time

Element contribution to storage in node i1of element e

∆ℎ𝑖𝑖2 1 1 ∆ℎ𝑖𝑖1 ∆ℎ𝑖𝑖2 ∆ℎ𝑖𝑖3

𝑆𝑆 𝑒𝑒 𝐹𝐹 𝑒𝑒 2 + +
34 ∆𝑡𝑡 ∆𝑡𝑡 ∆𝑡𝑡
∆ℎ𝑖𝑖1

∆ℎ𝑖𝑖3
89
Fe = element area [L2]
 FE: Galerkin Method

• The derivation of FE described above only works for triangular

elements with linear interpolation function. A general method to
arrive at finite element equations for arbitrary elements with arbitrary
interpolation functions is the Galerkin method
• Steps
– Trial solution with unknown pivot values and interpolation
function
– Insertion into flow equation leads to residual
– Residual is minimized by optimal choice of unknown pivot values
at nodes
– Minimization uses Galerkin principle
(Weighting function = interpolation function)

90
 Example: steady state flow in 1D
1
𝑛𝑛

ℎ� 𝑥𝑥, 𝑡𝑡 = � ℎ𝑖𝑖 𝑡𝑡 𝑤𝑤𝑖𝑖 𝑥𝑥 wi are hat functions

𝑖𝑖=1 0
i-1 i i+1
Flow equation (symbolically) 𝐿𝐿 ℎ 𝑥𝑥 =0

Insert trial solution 𝐿𝐿 ℎ� 𝑥𝑥 = 𝜀𝜀 0

Evenly distributed minimization of error

(n conditions for the smallness of residual as n heads are unknown)

� 𝜀𝜀 𝑥𝑥 𝑤𝑤𝑖𝑖 𝑥𝑥 𝑑𝑑𝑑𝑑 = 0 𝑖𝑖 = 1, … , 𝑛𝑛

91
 Example: steady state flow in 1D

𝜕𝜕 2
� 𝑇𝑇 � ℎ𝑗𝑗 𝑤𝑤𝑗𝑗 − 𝑞𝑞 𝑤𝑤𝑖𝑖 𝑥𝑥 𝑑𝑑𝑑𝑑 = 0 𝑖𝑖 = 1, … , 𝑛𝑛
𝜕𝜕𝑥𝑥 2

Transfer of one derivative to weighting function, as interpolation

function is linear (2nd derivative 0)
Avoids δ-functions

𝜕𝜕 𝜕𝜕
� 𝑇𝑇 � ℎ𝑗𝑗 𝑤𝑤𝑗𝑗 𝑤𝑤𝑖𝑖 𝑥𝑥 𝑑𝑑𝑑𝑑 − � 𝑞𝑞𝑤𝑤𝑖𝑖 𝑥𝑥 𝑑𝑑𝑑𝑑 = 0 𝑖𝑖 = 1, … , 𝑛𝑛
𝜕𝜕𝑥𝑥 𝜕𝜕𝜕𝜕

Conditions lead to n linear equations for n unknown heads hi

𝑎𝑎𝑖𝑖𝑖𝑖 ℎ𝑗𝑗 = 𝑏𝑏𝑖𝑖 𝑖𝑖 = 1, … , 𝑛𝑛

92
 Example: FEFLOW (FE)

Volkswagen site, Wolfsburg, Germany

93
 Free programs: links

• SUTRA by USGS: free download of version 2.2 (built 2010)

including manual at http://water.usgs.gov/nrp/gwsoftware/sutra.html
and
SutraGUI by USGS: free download of version 2.3.2 (built 2013)
http://water.usgs.gov/nrp/gwsoftware/sutra.html
or
ModelMuse by USGS: free download of actual version 3.5.0 (built
2015) including documentation at
http://water.usgs.gov/nrp/gwsoftware/ModelMuse/ModelMuse.html

94
 Other programs: links

• FEFLOW (Actual version 6.2.6206) by WASY-DHI:

http://www.feflow.info/
free demo version available (500 notes and 5 slides)
• Spring (actual version 4.2) by delta-h: http://spring.delta-
h.de/index.php/en
free trial available
• HydroGeoSphere by Aquanty Inc. (developed at University of
Waterloo): http://www.hydrogeosphere.org/

95
 HydroGeoSphere (FE)

• Combined surface and groundwater modelling software

• Includes fracture flow
• History:
– 1999: InHM (Integrated Hydrologic Model, Univ. of Waterloo)
developed based on FRAC3DVS
– Continuous development

Source: Watson & Burnett (1995)

 HydroGeoSphere (FE)

• Porous media, fractured rocks

• Subsurface water: 3D Richards-equation (at saturation Darcy)

∂θ S  
− ∇ × ωm q + ∑ Γex ± Q = s w q = −K × k r (ψ + z )
∂t
Γex: Exchange surface water / groundwater

• Dual porosity, dual permeability (fissures)

• Solute and reactive & heat transport

 ∂θsS wRC
ωm 
 ∂t


[
 
]
+ θsS wRλC = −∇ × ωm qC − θsD∇C + [RλC]par ± Qc + Ω o
Example: HydroGeoSphere (FE)

98
 Finite Volume (FV)

Flow equation at the Finite-Difference grid

• The water balance at a node (calculation point) during the time
interval ∆t
∆𝑉𝑉
∆𝑄𝑄𝑥𝑥 + ∆𝑄𝑄𝑦𝑦 = −𝑆𝑆 × + 𝑄𝑄𝑒𝑒𝑒𝑒
∆𝑡𝑡

∆Qx = changes of the flux in x-direction [L3/T]

∆Qy = changes of the flux in y-direction [L3/T]
Qex = external sinks (negative) or sources (positive) [L3/T]
S = storage coefficient [-]
∆V = changes in saturated aquifer volume [L3]
∆t = length of the time interval [T]
 Finite Volume (FV)

• Finite-Volume
– Program: PCGEOFIM

ρ0 ∂h  ρ0  h−z 
S0 + div  k f  grad(h) +  = Vv
ρG0 ∂t  ρG0  ρ0 grad(ρ ) 

101
 PCGEOFIM (FV)

• Ground water flow modelling, optimized for the use with surface
water bodies
• Transport (max. 15 solutes), only Front-Limitation-algorithm and
Random-Walk

102
 Model calibration

• Certain model parameter are generally not known. The problem of

fragmentary and/or unknown aquifer data can be addressed using
model calibration.
• Missing data are added in such a way that the simulation results
represent the observed data preferably perfect. It is well-known that
this is only theoretically possible.
• Using an independent data series the outcome of the calibration I
testes during the model validation (observed data have not been
used during calibration).
• Parameter and/or boundary conditions have larger or smaller
uncertainties. Potential impacts of this deficits on the simulated
results can be determined by performing a sensitivity analysis.
The uncertain parameter are varied to smaller and larger values
compared to the calibrated parameter and the impact on the
simulated results is analysed.
 Calibration parameter

• Hydraulic conductivity K
• (specific) storage (Sy) S
• Layer thickness
• Boundary conditions
– Recharge
– (pumping rates/volumes)
• Porosity neff and n (transport problems)
• Decay rates, diffusion and dispersion coefficients (transport
problems)
 Inverse calibration - PEST

PEST – Non-Linear Parameter ESTimation

Calibration

hsim
K1
K2

If the changes between K1 and K2 equals “1”

(here: K1 increased/decreased by factor x then
K2 increased/decreased by factor 1/x) then the
hobs
result is always “calibrated”.
Problem is related to a high correction
between the two parameter.
Example: Inverse calibration with Visual MODFLOW
Example: Inverse calibration - correlation
 Literature

• Delleur J.W., The Handbook of Groundwater Engineering, CRC

Press, Boca Raton, USA,1999
• Fetter, C.W., Applied Hydrogeology, 4th Edition, Prentice Hall, 2001
• Freeze, A. & Cherry, J., Groundwater, Prentice Hall Inc., 1979
• Harbaugh, A.W., and McDonald, M.G., User's documentation for
MODFLOW-96, an update to the U.S. Geological Survey modular
finite-difference ground-water flow model: U.S. Geological Survey
Open-File Report 96-485, 1996a.
• Harbaugh, A.W., and McDonald, M.G., Programmer's
documentation for MODFLOW-96, an update to the U.S. Geological
Survey modular finite-difference ground-water flow model: U.S.
Geological Survey Open-File Report 96-486, 1996b.
• Harbaugh, A.W., Banta, E.R., Hill, M.C., and McDonald, M.G.:
MODFLOW-2000, The U.S. Geological Survey modular ground-
water model User guide to modularization concepts and the ground-
water flow process, U. S. Geological Survey, Open-file report 00-92,
U.S. Geological Survey, 2000.

108
 Literature

• Harbaugh, A.W., MODFLOW-2005, The U.S. Geological Survey

Modular Ground-Water Model—the Ground-Water Flow Process.
U.S. Geological Survey Techniques and Methods 6-A16, 2005.
• Hendriks, M.R., Introduction to Physical Hydrology, Oxford
University Press, 2010
• McDonald M.G., Harbaugh A.W., A modular three-dimensional finite-
difference groundwater flow model. Washington, D.C., U.S.
Geological Survey, Open-file Report 83-875, 1988
• Niswonger, R.G., Panday, S., & Ibaraki, M., MODFLOW-NWT, A
Newton formulation for MODFLOW-2005: U.S. Geological Survey
Techniques and Methods 6–A37, 2011.
• Panday, S., Langevin, C.D., Niswonger, R.G., Ibaraki, M., & Hughes,
J.D., MODFLOW–USG version 1: An unstructured grid version of
MODFLOW for simulating groundwater flow and tightly coupled
processes using a control volume finite-difference formulation: U.S.
Geological Survey Techniques and Methods 6-A45, 2013.
109
 Literature

• Todd, D.K., Groundwater Hydrology, 2nd edition, John Wiley &

Sons, 2001
• Watson, I. & Burnett, A.D., Hydrology: An Environmental Approach,
CRC Lewis Publishers, 1995

110