1

Jirka ŠimůnekDepartment of Environmental Sciences

University of California Riverside, CA, USA

Hydrus workshop, Prague, March 28 2008

New Features and Developments in New Features and Developments in HYDRUS Software PackagesHYDRUS Software Packages

Miroslav ŠejnaPC-Progress, s.r.o., Anglicka 28, Prague 120 00, Czech Republic

Rien van GenuchtenU.S. Salinity Laboratory, USDA, ARS, Riverside, CA 92507, USA

OUTLINEOUTLINEHYDRUS (2D/3D)HYDRUS (2D/3D)-- new features new features -- new GUInew GUI-- ParSWMSParSWMSHYDRUSHYDRUS--1D1D-- new featuresnew featuresHP1HP1HYDRUS Package for MODFLOWHYDRUS Package for MODFLOW

2006 2006 –– Beta VersionBeta Version2007 2007 –– Version 1.0Version 1.02008 2008 –– Version 1.05Version 1.05

ŠŠimimůůneknek, J., M. Th. van Genuchten, and M. , J., M. Th. van Genuchten, and M. ŠŠejnaejna, The , The HYDRUS Software Package for Simulating TwoHYDRUS Software Package for Simulating Two-- and Threeand Three--Dimensional Movement of Water, Heat, and Multiple Solutes in Dimensional Movement of Water, Heat, and Multiple Solutes in VariablyVariably--Saturated Media, Technical Manual, Version 1.0, PC Saturated Media, Technical Manual, Version 1.0, PC Progress, Prague, Czech Republic, pp. 241, 2006. Progress, Prague, Czech Republic, pp. 241, 2006.

http://www.pchttp://www.pc--progress.comprogress.comhttp://www.hydrus2d.comhttp://www.hydrus2d.com

HYDRUSHYDRUS -- HistoryHistoryIsrael: Neuman [1972] - UNSATU. of Arizona: Davis and Neuman [1983]

Princeton U.:van Genuchten [1978]

Agr. U. in Wageningen:Feddes et al. [1978]Vogel [1987] - SWMII

MIT:Celia et al. [1990]

USSL - SWMS-2DŠimůnek et al. [1992]

IGWMC - HYDRUS-2D (1.0)Šimůnek et al. [1996]

USSL - CHAIN-2DŠimůnek and van Genuchten [1994]

IGWMC - HYDRUS-2D (2.0)Šimůnek et al. [1999]

PC-Progress – HYDRUS (2/3D)Šimůnek et al. [2007]

USSL – SWMS_3DŠimůnek et al. [1995]

2

HYDRUS (2D/3D) HYDRUS (2D/3D) –– New featuresNew featuresTwoTwo-- and threeand three--dimensional water flow and solute transportdimensional water flow and solute transportWater flow and solute transport in a dualWater flow and solute transport in a dual--porosity systemporosity systemRoot water uptake with compensationRoot water uptake with compensationSpatial root distribution functions of Spatial root distribution functions of VrugtVrugt et al. (2001)et al. (2001)++

Soil hydraulic property models of Soil hydraulic property models of KosugiKosugi (1996) and (1996) and DurnerDurner(1994)(1994)++

Hysteresis model of Hysteresis model of LenhardLenhard et al. (1991) (no pumping effect)et al. (1991) (no pumping effect)++

Transport of viruses, colloids, and/or bacteria (attachment/ Transport of viruses, colloids, and/or bacteria (attachment/ detachment model, filtration theory, and blocking functions)detachment model, filtration theory, and blocking functions)Dynamic, systemDynamic, system--dependent boundary conditionsdependent boundary conditions++

Flowing particles in twoFlowing particles in two--dimensional applicationsdimensional applications++

Calculations of actual and cumulative fluxes across internal Calculations of actual and cumulative fluxes across internal meshlinesmeshlines++

Constructed wetland module (only in 2D)Constructed wetland module (only in 2D)++

New print management optionsNew print management options

Spatial Root Distribution Function Spatial Root Distribution Function ((VrugtVrugt et al., 2001)et al., 2001)

( )

* *

, 1 1

z r

m m

m m

p pz z x xZ X

z xb x zZ X

e⎛ ⎞

− − + −⎜ ⎟⎝ ⎠

⎛ ⎞ ⎛ ⎞= − −⎜ ⎟⎜ ⎟⎝ ⎠⎝ ⎠

( )* * *

, , 1 1 1yx z

m m m

pp px x y y z zX Y Z

m m m

x y zb x y z eX Y Z

⎛ ⎞− − + − + −⎜ ⎟⎜ ⎟⎝ ⎠

⎛ ⎞⎛ ⎞⎛ ⎞= − − −⎜ ⎟⎜ ⎟⎜ ⎟⎝ ⎠⎝ ⎠⎝ ⎠

MultiMulti--Porosity Hydraulic Property ModelPorosity Hydraulic Property ModelDurnerDurner (1994)(1994)

Se - effective water contentθr , θs - residual and saturated water contents, respectivelyk - number of overlapping subregionswi - weighting factors for the sub-curvesαi, ni, mi (= 1 - 1/ni), and l - empirical parameters of the sub-curves

1

( ) 1( )(1 )

ii

kr

e i mnis r

i

h - h = = wS- + h

θ θθ θ α=

∑2

1/

1 2

1

1

1- (1- ) ( )

iii

i

k mmei ik

ils ei ki

i ii

w SK = w SK

w

αθ

α

=

=

=

⎛ ⎞⎡ ⎤⎜ ⎟⎣ ⎦⎛ ⎞ ⎝ ⎠⎜ ⎟⎝ ⎠ ⎛ ⎞

⎜ ⎟⎝ ⎠

∑∑

∑

The hydraulic characteristics contain 4+2k unknown parameters: θr , θs , αi , ni , l, and Ks. Of these, θr, θs, and Ks have a clear physical meaning, whereas αi, ni and l are essentially empirical parameters determining the shape of the retention and hydraulic conductivity functions [van Genuchten, 1980].

0

0.1

0.2

0.3

0.4

0.5

0.6

-1 0 1 2 3 4 5

Log(|Pressure Head [cm]|)

Wat

er C

onte

nt [-

]

TotalMatrixFracture

-10

-8

-6

-4

-2

0

-1 0 1 2 3 4 5

Log(|Pressure Head [cm]|)

Log(

Con

duct

ivity

[cm

/day

s])

TotalMatrixFracture

Example of composite retention (left) and hydraulic conductivity(right) functions (θr=0.00, θs=0.50, α1=0.01 cm-1, n1=1.50, l=0.5, Ks=1 cm d-1, w1=0.975, w2=0.025, α2=1.00 cm-1, n2=5.00).

MultiMulti--Porosity Hydraulic Property ModelPorosity Hydraulic Property ModelDurnerDurner (1994)(1994)

3

Hysteresis ModelHysteresis Model ((LenhardLenhard et al., 1991)et al., 1991)(pumping effect) (no pumping effect)(pumping effect) (no pumping effect)

Kool and Parker (1987) ( ) [1 ]

( ) [1 ]2

n me w

n me d

w d

S h | h|

S h | h|

α

αα α

−

−

= +

= +

≈

LenhardLenhard et al. (1991)et al. (1991)

Dynamic, SystemDynamic, System--Dependent Dependent Boundary ConditionsBoundary Conditions

Old: only Atmospheric and Seepage Face boundary conditionsOld: only Atmospheric and Seepage Face boundary conditionsInterpolate variable pressure head and flux boundary conditions Interpolate variable pressure head and flux boundary conditions smoothly with timesmoothly with timeSwitch the boundary condition from variable pressure head to zerSwitch the boundary condition from variable pressure head to zero o flux (e.g., disc flux (e.g., disc permeameterpermeameter) ) Switch the boundary conditions from timeSwitch the boundary conditions from time--variable pressure head to variable pressure head to zero flux when the specified nodal pressure head is negative (e.zero flux when the specified nodal pressure head is negative (e.g., g., above the water table)above the water table)As above, except that an atmospheric boundary condition is assigAs above, except that an atmospheric boundary condition is assigned ned to nodes with negative calculated pressure headsto nodes with negative calculated pressure headsAs above, except that a seepage face boundary condition is assigAs above, except that a seepage face boundary condition is assigned ned to nodes with negative calculated pressure headsto nodes with negative calculated pressure headsTreat the timeTreat the time--variable flux boundary conditions similarly as variable flux boundary conditions similarly as atmospheric, i.e., with limiting pressure heads (atmospheric, i.e., with limiting pressure heads (hCritShCritS and and hCritAhCritA))Apply atmospheric boundary conditions on nonApply atmospheric boundary conditions on non--active seepage faceactive seepage faceSnow accumulation on top of the soil surface when temperatures aSnow accumulation on top of the soil surface when temperatures are re negativenegative

Flowing Particles in TwoFlowing Particles in Two--Dimensional ApplicationsDimensional Applications

Actual and Cumulative Fluxes Actual and Cumulative Fluxes Across Internal Across Internal MeshlinesMeshlines

4

Componentsdissolved oxygen [mg O2/l],readily and slowly biodegradable, and inert OM [mg COD/l],ammonia, nitrite, nitrate, and N2[mg N/l] inorganic phosphorus [mg P/l],heterotrophic MO [mg COD/l],autotrophic MO (Nitrosomonasand Nitrobacter) [mg COD/l], Organic N and P are modelled as N and P content of the COD.

Processeshydrolysis (slowly readily biodegradable)aerobic growth of heterotrophic MO (degradation of OM)anoxic growth of heterotrophic MO using nitrate and nitrite (denitrification)aerobic growth of Nitrosomonasand Nitrobacter (nitrification)lysis (for heterotrophic and autotrophic MO)

Constructed Wetlands ModuleConstructed Wetlands Module(CW2D: (CW2D: LangergraberLangergraber and Simunek, 2005and Simunek, 2005))

Constructed Wetlands ModuleConstructed Wetlands Module1. Hydrolysis - conversion of slowly biodegradable organic matter CS into readily biodegradable organic matter CR, with a small fraction being converted into inert organic matter CI. Ammonium (NH4

+) and inorganic phosphorus (IP) are released.

1CS XH

h XHX CS XH

c crc K cK c c

=+

2. Aerobic growth of heterotrophic bacteria - consumes oxygen (O2) and readily biodegradable organic matter (CR), while ammonium (NH4

+) and inorganic phosphorus (IP) are incorporated in the biomass

22 ,

, 2 2 ,

O CRH N Het XH

Het O O Het CR CR

c crc f cK c K c

μ=+ +

3. NO3-based growth of heterotrophs on readily biodegradable COD (denitrification) - consumes nitrate (NO3

-) and readily biodegradable organic matter (CR). Nitrate is reduced to dinitrogen (N2). Again, ammonium (NH4

+) and inorganic phosphorus (IP) are incorporated in the biomass

, 2 , 233 ,

, 2 2 , 3 3 , 2 2 ,

DN O DN NONO CRDN N DN XH

DN O O DN NO NO DN NO NO DN CR CR

K Kc crc f cK c K c K c K c

μ=+ + + +

TwoTwo--stage subsurface vertical stage subsurface vertical flow constructed wetlandflow constructed wetland

0 250 50 100 150 200

Simulated steady-state distribution of heterotrophic organisms XH

HYDRUS (2D/3D) HYDRUS (2D/3D) –– New GUINew GUICompletely new GUI based on Hi-End 3D graphics librariesMDI architecture – multiple projects and multiple viewsNew organization of geometric objectsNavigator window with an object explorer Many new functions improving the user-friendliness, such as drag-and-drop and context sensitive pop-up menusImproved interactive tools for graphical input Saving Cross-Sections and Mesh-Lines for charts within a given projectDisplay Options – all colors, line styles, fonts and other parameters of graphical objects can be customized Extended print optionsExtended information in the Project Manager (including project preview)Many additional improvements

5

Project Project ManagerManager

Navigator BarNavigator BarThe Navigator Bar is by default located on the left side of the

HYDRUS main window. The Navigator Bar has three Tabs: • A Data Tab to allow quick access to all input and output

data. Input data include:

Domain GeometryFlow ParametersFE-MeshDomain PropertiesInitial and Boundary ConditionsAuxiliary Objects

Output data include various Results. Data are organized in a tree-like structure.

• A View Tab to specify what and how information will be displayed in the View window, and

• A Sections Tab to show various Sections

Navigator Navigator BarsBars

6

Edit BarEdit Bar

The Edit Bar is by default located on the right side of the HYDRUS main window.

The Edit Bar is very dynamic since it changes depending upon the process being carried out.

EditEditBarsBars

EditEditBarsBars

ToolbarsToolbars

Standard Toolbar

Tools Toolbar

View Toolbar

GUI Toolbar

Time Layer Toolbar

7

MenusMenusFile File EditEdit View InsertView Insert

MenusMenusCalculation ResultsCalculation Results Tools Options WindowsTools Options Windows

View WindowView Window

Tabs: Geometry, FE-Mesh, Domain Properties, Initial Conditions, Boundary Conditions, Results

Capillary BarrierCapillary BarrierMaterial DistributionsMaterial Distributions

8

Capillary BarrierCapillary BarrierVelocity VectorsVelocity Vectors

CutCut--off Walloff WallFinite Element MeshFinite Element Mesh

CutCut--off Walloff WallSolute PlumeSolute Plume

Plume Movement in Plume Movement in a Transect with Streama Transect with Stream

9

1 2 3 4 5

Finite element mesh and material distribution in the transport domain

HYDRUS (2D/3D)HYDRUS (2D/3D)

411 mI415

61 m

129,461 FE

10

Velocity vectors

0.0 0.70.1 0.2 0.3 0.4 0.5 0.6

HYDRUS (2D/3D)HYDRUS (2D/3D)

Contours of MTBE concentrations at 5, 10, 15, and 25 years

-4 6-3 -2 -1 0 1 2 3 4 5

15 years 25 years

5 years 10 years

log (Conc [mg/L])

HYDRUS (2D/3D)HYDRUS (2D/3D)

Flow and Transport Under the Flow and Transport Under the Banana Tree (Sansoulet et al., 2008)Banana Tree (Sansoulet et al., 2008)

ParSWMSParSWMSParSWMSParSWMS ((Hardelauf et al., 2007)Hardelauf et al., 2007) -- Parallelized Parallelized version of SWMS_3D version of SWMS_3D (Simunek et al., 1995)(Simunek et al., 1995)..Developed by Developed by ForschungszentrumForschungszentrum JJüülichlich, Germany., Germany.SWMS_3D SWMS_3D –– earlier and simpler version of Hydrusearlier and simpler version of Hydrus--3D3DMPI (MessageMPI (Message--Passing Interface)Passing Interface) -- a library a library specification for messagespecification for message--passing between the different passing between the different processors. MPI is free software for LINUX or UNIX processors. MPI is free software for LINUX or UNIX operating systems.operating systems.TestTest-- Water flow and solute transport problem Water flow and solute transport problem -- 492264 FE nodes 492264 FE nodes -- Supercomputer with 41 SMP nodes with 32 processors each (total Supercomputer with 41 SMP nodes with 32 processors each (total 1312 processors 1312 processors -- Power4+ 1.7 GHz)Power4+ 1.7 GHz)

11

ParSWMSParSWMS

Time gain as compared to the one processor run (in log2) as a function of thenumber of processors np (in log2) for solute transport scenario with 492264 nodes (open circles) and water flow with atmospheric upper boundary conditions (diamonds) ((HardelaufHardelauf et al., 2007)et al., 2007).

1998 1998 –– Version 2.0 (USSL)Version 2.0 (USSL)2005 2005 –– Version 3.0 (UCR)Version 3.0 (UCR)2008 2008 –– Version 4.0 (UCR+PC Progress)Version 4.0 (UCR+PC Progress)

ŠŠimimůůneknek, J., M. , J., M. ŠŠejnaejna, H. Saito, M. Sakai, and M. Th. van , H. Saito, M. Sakai, and M. Th. van Genuchten, The HYDRUSGenuchten, The HYDRUS--1D Software Package for Simulating 1D Software Package for Simulating the Movement of Water, Heat, and Multiple Solutes in Variably the Movement of Water, Heat, and Multiple Solutes in Variably Saturated Media, Version 4.0, Saturated Media, Version 4.0, HYDRUS Software Series 3HYDRUS Software Series 3, , Department of Environmental Sciences, University of California Department of Environmental Sciences, University of California Riverside, Riverside, California, USA, pp. 315, 2008.Riverside, Riverside, California, USA, pp. 315, 2008.

http://www.pchttp://www.pc--progress.comprogress.comhttp://www.hydrus2d.comhttp://www.hydrus2d.com

HYDRUS HYDRUS --1D 1D –– New featuresNew featuresCoupled water, vapor, and energy transport Coupled water, vapor, and energy transport DualDual--porosity water flow and solute transport porosity water flow and solute transport (two(two--site sorption in the mobile zone)site sorption in the mobile zone)DualDual--permeability type water flow and solute permeability type water flow and solute transport (twotransport (two--site sorption in both zones) site sorption in both zones) Potential evapotranspiration calculated using Potential evapotranspiration calculated using PenmanPenman--MonteithMonteith combination or combination or HargreavesHargreavesequationsequationsDaily variations in the evaporation, transpiration, Daily variations in the evaporation, transpiration, and precipitation ratesand precipitation ratesSupport for the HP1 codeSupport for the HP1 code

Coupled Water, Vapor, and Energy Transport

Modified RichardsModified Richards’’ equation for equation for water flowwater flow::

( ) ( ) ( )Lh Lh LT vh vTh T h TK h K h K h K K S

t z z z z zθ∂ ∂ ∂ ∂ ∂ ∂⎡ ⎤= + + + + −⎢ ⎥∂ ∂ ∂ ∂ ∂ ∂⎣ ⎦

( ) ( )Lh vh Lh LT vT Th Lh TTh T h TK K K K K S K K K S

t z z z z z zθ∂ ∂ ∂ ∂ ∂ ∂ ∂⎡ ⎤ ⎡ ⎤= + + + + − = + + −⎢ ⎥ ⎢ ⎥∂ ∂ ∂ ∂ ∂ ∂ ∂⎣ ⎦ ⎣ ⎦

KLh - hydraulic conductivity for liquid phase fluxes due to gradient of h [LT-1]KLT - hydraulic conductivity for liquid phase fluxes due to gradient of T [L2T-1K-1]Kvh - isothermal vapor hydraulic conductivity [LT-1]KvT - thermal vapor hydraulic conductivity [L2K-1T-1]

12

Coupled Water, Vapor, andEnergy Transport

Energy Transport: Energy Transport:

(1) Soil heat flow by conduction(2) Convection of sensible heat by water flow(3) Heat removed by root water uptake(4) Transfer of latent heat by diffusion of water

vapor(5) Transfer of sensible heat by diffusion of water

vapor

( )0 0

(1) (2) (3) (4) (5)

p v l v vw w v

C T qT q q TTL C C ST L Ct t z z z z z

θ λ θ∂ ∂ ∂ ∂ ∂∂ ∂⎡ ⎤+ = − − − −⎢ ⎥∂ ∂ ∂ ∂ ∂ ∂ ∂⎣ ⎦

0

2

4

6

8

10

0 0.05 0.1 0.15 0.2Water Content [-]

Dep

th [c

m]

T=0t=0.25 dt=1t=5t=25

0

2

4

6

8

10

0 0.02 0.04 0.06Total Flux [cm/d]

T=0t=0.25 dt=1t=5t=25

0

2

4

6

8

10

0 10 20 30Temperature [C]

T=0

t=0.25 dt=1

t=5t=25

0

2

4

6

8

10

0 2 4 6 8 10Concentration [-]

T=0

t=0.25 dt=1

t=5t=25

Coupled Water, Vapor, and Energy Transport

Total flux=water flux+vapor flux

Physical Nonequilibrium Water Flow Physical Nonequilibrium Water Flow and Solute Transport Modelsand Solute Transport Models

Water

Immob. MobileSolute

im mo =θ θ θ+

Water

Immob. MobileSolute

im mo =θ θ θ+

Water

Solute

θ

Water

Solute

θ

Mobile

Immob. MobileSolute

im mo =θ θ θ+

Immob.Water

Mobile

Immob. MobileSolute

im mo =θ θ θ+

Immob.Water

Fast

Slow FastSolute

m f =θ θ θ+

SlowWater

Fast

Slow FastSolute

m f =θ θ θ+

SlowWater

Fast

Slow FastSolute

, ,m im m mo f =θ θ θ θ+ +

SlowWater

Im.

Fast

Slow FastSolute

, ,m im m mo f =θ θ θ θ+ +

SlowWater

Im.

a) Uniform Flowb)Mobile-Immobile Waterc) Dual-Porosityd)Dual-Permeabilitye) Dual-Permeability with MIM in the Matrix Domain

a) b) c) d) e)

Physical Nonequilibrium Water Flow Physical Nonequilibrium Water Flow and Solute Transport Modelsand Solute Transport Models

a) Uniform Flowb)Mobile-Immobile Waterc) Dual-Porosity

a) b) + c) d) e)

d)Dual-Permeabilitye) Dual-Permeability with

MIM

13

Chemical Nonequilibrium Solute Chemical Nonequilibrium Solute Transport ModelsTransport Models

a) One-Site Kinetic Modelb) Two-Site Model (kinetic and instantaneous sorption)c) Two-Site Kinetic Modeld) Dual-Porosity with One Kinetic Site Modele) Dual-permeability with Two-Site Model

θ

csk

θ

csk

se

θ

csk

se

θ

cs2

k

s1k

θm

cm

θf

cf sfksm

k

sme sf

e

Slow Fast

θim

cim

θmo

cmo smok

sime

smoe

Immob. Mob.

a) b) c) d) e)

PenmanPenman--MonteithMonteith EquationEquationThe PenmanThe Penman--MonteithMonteith combination method for calculating of combination method for calculating of potential evapotranspiration [FAO, 1990]: potential evapotranspiration [FAO, 1990]:

ETo - reference crop evapotranspiration[mm d-1]

ETrad - radiation term [mm d-1]ETaero - aerodynamic term [mm d-1]Rn - net radiation at crop surface

[MJ m-2d-1]G - soil heat flux [MJ m-2d-1](ea-ed) - vapour pressure deficit [kPa]Δ - slope vapour pressure curve

[kPa oC-1]y - psychrometric constant [kPa oC-1]λ - latent heat of vaporization [MJ kg-1]

0

( - ) /( - )1(1 / ) (1 / )

p a d anrad aero

c a c a

c e e rR GET = ET + ETr r r r

ρλ γ γ⎡ ⎤Δ

= +⎢ ⎥Δ + + Δ + +⎣ ⎦

ρ - atmospheric density [kg m-3]cp - specific heat of moist air

[i.e., 1.013 kJ kg-1 oC-1] ea - saturation vapor pressure at

temperature T [kPa], ed - actual vapor pressure [kPa] rc - crop canopy resistance [s m-1] ra - aerodynamic resistance [s m-1]

PenmanPenman--MonteithMonteith EquationEquation PenmanPenman--MonteithMonteith EquationEquation

14

HargreavesHargreaves EquationEquation

Ra - extraterrestrial radiation in the same units as ETp [e.g., mm d-1 or J m-2s-1]Tm - daily mean air temperature [oC]TR - temperature range between the mean daily maximum and minimum [oC]

( )0.0023 17.8p a mET R T TR= +

0

0.2

0.4

0.6

0.8

1

1.2

1/1/1999 3/2/1999 5/1/1999 6/30/1999 8/29/1999 10/28/1999 12/27/1999Time [d]

Evap

otra

nspi

ratio

n [c

m/d

]

HargreavesPenman-MontheithMeasured Bare LysimeterMeasured Vegetated Lysimeter

Daily Variations Daily Variations in Evaporation, and in Evaporation, and Transpiration RatesTranspiration Rates

( ) 0.24 0.264d, 0.736d

2( ) 2.75 sin (0.264d, 0.736d)1day 2

p p

p p

T t T t t

tT t T tπ π

= < >

⎛ ⎞= − ∈⎜ ⎟

⎝ ⎠

0

0.5

1

1.5

2

2.5

3

0 0.2 0.4 0.6 0.8 1

Time [d]

E, T

[cm

/d]

Hourly values between 0-6 a.m. and 18-24 p.m. represent 1% of the total daily value and a sinusoidal shape is followed during the rest of the day (Fayer, 2000)

HYDRUSHYDRUS--1D1D

-3000

-2500

-2000

-1500

-1000

-500

0

0.0 0.1 0.2 0.3 0.4 0.5Water Contents [-]

-40

-20

0

20

40

60

50 100 150 200 250 300Time [days]

potToppotRootactTopactRootactBot

Cumulative Fluxes

-2.0

-1.5

-1.0

-0.5

0.0

0.5

1.0

50 100 150 200 250 300Time [days]

All Fluxes

-300

-200

-100

0

100

200

50 100 150 200 250 300Time [days]

Observation Nodes

HYDRUS-1D [ŠŠimimůůneknek et al., 2008]:Variably Saturated Water FlowSolute TransportHeat transportRoot water uptake

PHREEQC [Parkhurst and Appelo, 1999]:Available chemical reactions:Aqueous complexationRedox reactionsIon exchange (Gains-Thomas)Surface complexation – diffuse double-layer model and non-electrostatic surface complexation modelPrecipitation/dissolutionChemical kineticsBiological reactions

HP1HP1 (Jacques and (Jacques and ŠŠimimůůneknek, 2005), 2005)Coupled HYDRUSCoupled HYDRUS--1D and PHREEQC1D and PHREEQC

15

HYDRUSHYDRUS--1D GUI for HP11D GUI for HP1 HP1 ExamplesHP1 Examples

Transport of heavy metals (ZnTransport of heavy metals (Zn2+2+, Pb, Pb2+2+, and Cd, and Cd2+2+) subject to ) subject to multiple cation exchangemultiple cation exchangeTransport with mineral dissolution of amorphous SiOTransport with mineral dissolution of amorphous SiO22 and and gibbsite (Al(OH)gibbsite (Al(OH)33))Heavy metal transport in a medium with a pHHeavy metal transport in a medium with a pH--dependent dependent cation exchange complexcation exchange complexInfiltration of a Infiltration of a hyperalkalinehyperalkaline solution in a clay sample (this solution in a clay sample (this example considers kinetic precipitationexample considers kinetic precipitation--dissolution of dissolution of kaolinitekaolinite, , illiteillite, quartz, calcite, dolomite, gypsum, , quartz, calcite, dolomite, gypsum, hydrotalcitehydrotalcite, , and and sepiolitesepiolite))LongLong--term transient flow and transport of major cations (Naterm transient flow and transport of major cations (Na++, , KK++, Ca, Ca2+2+, and Mg, and Mg2+2+) and heavy metals (Cd) and heavy metals (Cd2+2+, Zn, Zn2+2+, and Pb, and Pb2+2+) in ) in a soil profile.a soil profile.Kinetic biodegradation of NTA (biomass, cobalt)Kinetic biodegradation of NTA (biomass, cobalt)

HP1 PublicationsHP1 PublicationsJacques, D., and J. Jacques, D., and J. ŠŠimimůůneknek, User Manual of the Multicomponent Variably, User Manual of the Multicomponent Variably--Saturated Flow and Transport Model HP1, Description, VerificatioSaturated Flow and Transport Model HP1, Description, Verification and n and Examples, Version 1.0, Examples, Version 1.0, SCKSCK••CENCEN--BLGBLG--998, 998, Waste and Disposal, Waste and Disposal, SCKSCK••CEN, Mol, Belgium, 79 pp., 2005.CEN, Mol, Belgium, 79 pp., 2005.Jacques, D., J. Jacques, D., J. ŠŠimimůůneknek, D. , D. MallantsMallants, and M. Th. van Genuchten, , and M. Th. van Genuchten, OperatorOperator--splitting errors in coupled reactive transport codes for transiesplitting errors in coupled reactive transport codes for transient variably nt variably saturated flow and contaminant transport in layered soil profilesaturated flow and contaminant transport in layered soil profiles, s, J. J. ContamContam. Hydrology. Hydrology, , 8888, 197, 197--218, 2006.218, 2006.ŠŠimimůůneknek, J., D. Jacques, M. Th. van Genuchten, and D. , J., D. Jacques, M. Th. van Genuchten, and D. MallantsMallants, , Multicomponent geochemical transport modeling using the HYDRUS Multicomponent geochemical transport modeling using the HYDRUS computer software packages,computer software packages, J. Am. Water J. Am. Water ResourResour. Assoc.. Assoc., , 4242(6), 1537(6), 1537--1547, 1547, 2006.2006.Jacques, D., J. Jacques, D., J. ŠŠimimůůneknek, D. , D. MallantsMallants, and M. Th. van Genuchten, Modeling , and M. Th. van Genuchten, Modeling coupled hydrological and chemical processes in the vadose zone: coupled hydrological and chemical processes in the vadose zone: A case A case study on long term uranium migration following mineral phosphorustudy on long term uranium migration following mineral phosphorus s fertilization,fertilization, Vadose Zone JournalVadose Zone Journal, Special Issue , Special Issue ““Vadose Zone ModelingVadose Zone Modeling””, , 2008a (in press).2008a (in press).Jacques, D., J. Jacques, D., J. ŠŠimimůůneknek, D. , D. MallantsMallants and M. Th. van Genuchten, and M. Th. van Genuchten, ModellingModellingcoupled water flow, solute transport and geochemical reactions acoupled water flow, solute transport and geochemical reactions affection ffection heavy metal migration in a heavy metal migration in a PodzolPodzol soil, soil, GeodermaGeoderma, 2008b (in press)., 2008b (in press).

The HYDRUS (Unsaturated Flow) The HYDRUS (Unsaturated Flow) Package for MODFLOWPackage for MODFLOW--20002000

HyeyoungHyeyoung Sophia Sophia SeoSeo, , Jirka Jirka ŠŠimimůneknek, Eileen P. , Eileen P. PoeterPoeterColorado School of Mines, 1500 Illinois St. Golden CO 80401 Colorado School of Mines, 1500 Illinois St. Golden CO 80401

University of California, RiversideUniversity of California, Riverside

Seo, H. S., J. Šimůnek, and E. P. Poeter, Documentation of the HYDRUS Package for MODFLOW-2000, the U.S. Geological Survey Modular Ground-Water Model, GWMI 2007-01, International Ground Water Modeling Center, Colorado School of Mines, Golden, Colorado, 96 pp., 2007.

Twarakavi, N. K. C., J. Šimůnek, and H. S. Seo, Evaluating interactions between groundwater and vadose zone using HYDRUS-based flow package for MODFLOW, Vadose Zone Journal, Special Issue “Vadose Zone Modeling”, (submitted April 25 2007, revised September 16 2007, accepted October 5 2007).

16

HYDRUS Package for MODFLOWHYDRUS Package for MODFLOW

Layers

Columns

1 5 3 42 6 7 8 9 10 11 12 13

1

2

3

1

2

3

4

5

6

7

Rows

Zone 1

Zone 2

K1

K2

K3

Explanation

K: Hydraulic Conductivity

Laye

r 1

Laye

r 3

Laye

r 2

MODFLOW Grid

Depth to Ground Water

UNSF Soil Profile a: Ground Surface b: Bottom of Soil Column

Flux (q)

a

b

Explanation

K1 K2 K3 K4 K5 K6 K7 K8 K9 K10 K11 K12

K: Hydraulic Conductivity

Z1

ZSURF

Dep

th

HYDRUS Package for MODFLOWHYDRUS Package for MODFLOW(Seo et al., 2006)

Laye

r 1

Laye

r 3

Laye

r 2

MODFLOW Grid

Depth to Ground Water

UNSF Soil Profile a: Ground Surface b: Bottom of Soil Column

Flux (q)

a

b

Explanation

K1K2K3K4K5K6K7K8K9K10K11K12

K: Hydraulic Conductivity

Z1

ZSURF

Dep

th

HYDRUS HYDRUS -- Web Site Web Site -- Discussion ForumDiscussion Forum HYDRUSHYDRUS -- Web Site Web Site –– TutorialsTutorials

17

HYDRUS HYDRUS –– Useful LinksUseful Links

http://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D.htmprogress.cz/Fr_Hydrus3D.htmhttp://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D_Ordering.htmprogress.cz/Fr_Hydrus3D_Ordering.htmhttp://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D_Downloads.htmprogress.cz/Fr_Hydrus3D_Downloads.htmhttp://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D_Tutorials.htmprogress.cz/Fr_Hydrus3D_Tutorials.htmhttp://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D_Resellers.htmprogress.cz/Fr_Hydrus3D_Resellers.htmhttp://www.pchttp://www.pc--progress.cz/Fr_Hydrus3D_Troubleshooting.htmprogress.cz/Fr_Hydrus3D_Troubleshooting.htmhttp://www.pchttp://www.pc--progress.cz/Pg_Hydrus_References.htmprogress.cz/Pg_Hydrus_References.htmhttp://www.pchttp://www.pc--progress.cz/Pg_Hydrus1D_References.htmprogress.cz/Pg_Hydrus1D_References.htm

Introduction to Soil Physics with HYDRUS:

Modeling and Applications

David Radcliffe and Jirka Šimůnek

CRC Press, Taylor & Francis GroupISBN-10: 142007380X, ISBN-13: 9781420073805

due 4/15/2009