Using The HYDRUS-1D and HYDRUS-2D Codes
Using The HYDRUS-1D and HYDRUS-2D Codes
Abstract. In this paper we describe a parameter estimation procedure which combines the
Levenberg-Marquardt nonlinear parameter optimization method involving weighted least squares
with either a one-dimensional numerical model (HYDRUS-1D) or a two- or quasi three-
dimensional model (HYDRUS-2D), which solve the governing equations for water flow and
solute transport in variably-saturated porous media. The procedure permits several unknown
parameters in the unsaturated soil-hydraulic functions to be estimated from observed water
contents, pressure heads, and/or instantaneous or cumulative boundary fluxes (e.g., infiltration or
outflow data) during transient water flow by numerical inversion of the Richards equation.
Additional retention or hydraulic conductivity data, as well as a penalty function for constraining
the optimized parameters to remain in some feasible region (Bayesian estimation) can be
optionally included in the parameter estimation procedure. Similarly, the procedure permits
solute transport and/or reaction parameters to be estimated from observed concentrations and/or
instantaneous or cumulative boundary solute fluxes during transient solute transport by numerical
inversion of the convection-dispersion equation. The unsaturated soil hydraulic and solute
transport and reaction parameters can be estimated either sequentially or simultaneously.
Depending upon the quality of observed data, soil hydraulic or solute transport parameters for
several soil layers can be estimated simultaneously. The parameter estimation procedure is
demonstrated for several laboratory and field experiments.
INTRODUCTION
As increasingly more complicated computer models are being developed for simulating
subsurface flow and transport processes, the accuracy of numerical simulations largely depends
upon the accuracy with which various model parameters can be estimated. Flow and transport
models for the unsaturated zone are often based on numerical solutions of the Richards equation
which requires knowledge of the unsaturated soil hydraulic functions, i.e., the soil water retention
curve, θ(h), describing the relationship between the water content θ and the pressure head h, and
the unsaturated hydraulic conductivity function, K(h), defining the hydraulic conductivity K as a
function of h. Accurate measurement of the hydraulic properties is difficult because of the highly
nonlinear nature of these properties, especially K(h), instrumental limitations, and the extreme
heterogeneity of the subsurface environment. Hence, methods for making relatively fast and
reliable measurements of the unsaturated soil-hydraulic properties remain sorely needed [van
Genuchten and Leij, 1992].
A variety of field methods are currently available for direct measurement of the hydraulic
conductivity, K, or the soil water diffusivity, D, as a function of h and/or θ [Klute and Dirksen,
1986; Green et al., 1986]. Popular field methods include the instantaneous profile method,
various unit-gradient type approaches, sorptivity methods following ponded infiltration, and the
crust method based on steady water flow. While relatively simple in concept, these direct
measurement methods have a number of limitations that restrict their use in practice. For
1523
1524 Òimçnek and van Genuchten
example, most methods are very time-consuming to execute because of the need to adhere to
relatively restrictive initial and boundary conditions. This is especially true for field gravity-
drainage experiments involving medium- and fine-textured soils. Methods requiring repeated
steady-state flow situations, or other equilibrium conditions are also tedious, while linearizations
and other approximations or interpolations to allow analytic or semi-analytic inversions of the
flow equation may introduce additional errors. Finally, information about uncertainty in the
estimated hydraulic parameters is not readily obtained using direct inversion methods.
A much more flexible approach for solving the inverse problem is the use of parameter
optimization methods [Hopmans and Šimçnek, 1999]. Optimization procedures make it possible
to simultaneously estimate the retention and hydraulic conductivity functions from transient flow
data [Kool et al., 1987]. While many possible scenarios exist for the application of parameter
optimization methods, numerical inversion of the Richards equation has thus far been limited
only, or nearly exclusively, to one-dimensional experiments [Kool et al., 1985; Russo et al.,
1991], mostly in conjunction with one-step or multi-step outflow experiments [Kool and Parker,
1988; van Dam et al., 1992, 1994; Eching et al., 1993]. Nevertheless, other types of
experiments, such as upward infiltration [Hudson et al., 1996] or evaporation methods [Ciollaro
and Romano, 1995; Santini et al., 1995; Šimçnek et al., 1998d, 1999b], were also reported.
Possible multi-dimensional applications involve the use of disc tension permeameters [Perroux
and White, 1988; Ankeny et al., 1991, Šimçnek and van Genuchten, 1996, 1997; Šimçnek et al.,
1998a,c], a modified cone penetrometer [Gribb et al., 1998; Kodešová et al., 1998, 1999;
Šimçnek et al., 1999a], a multistep soil-water extraction method [Inoue et al., 1998, 1999],
infiltration from a furrow, and surface or subsurface drip irrigation experiments.
In this paper we describe a parameter estimation procedure which combines the Levenberg-
Marquardt nonlinear parameter optimization method involving weighted least squares with either
a one-dimensional numerical model, HYDRUS-1D [Šimçnek et al., 1998b], or a two- or quasi
three-dimensional numerical model, HYDRUS-2D [Šimçnek et al., 1996], which solve the
variably-saturated water flow and solute transport equations. We demonstrate the proposed
parameter estimation procedure on laboratory and field data, and briefly summarize many other
applications of the HYDRUS models.
FORWARD PROBLEM
where xi (i=1,2; with x2=z being the vertical coordinate positive upwards) are the spatial
coordinates, t is time, S is a sink term, KijA are components of a dimensionless anisotropy tensor
A
K , and K is the unsaturated hydraulic conductivity function given as the product of the relative
hydraulic conductivity, Kr, and the saturated hydraulic conductivity, Ks.
Equation (1) can be solved numerically for a given set of initial and boundary equations.
The HYDRUS-1D and -2D codes implement three different types of boundary conditions:
specified pressure head (Dirichlet type) conditions of the form
h( x , t ) = ψ ( x , t ) (2)
specified flux (Neumann type) conditions given by
Estimating Flow and Transport Parameters with HYDRUS Codes 1525
∂h
- [ K ( K ijA + K iA2 )] ni = σ ( x, t ) (3)
∂x
j
and specified gradient conditions (e.g., free drainage associated with a unit hydraulic gradient) as
follows
∂h
( K ijA + K iA2 ) ni = ζ ( x , t ) (4)
∂x
j
where ψ, σ, and ζ are the prescribed Dirichlet, Neumann, and gradient type boundary conditions,
respectively, as functions of x and t, x is the spatial coordinate of a boundary, and ni are the
components of the outward unit vector normal to boundary.
The above boundary conditions can be implemented in HYDRUS-1D and -2D in several
ways: as (a) constant boundary conditions (either flux or head), (b) variable boundary conditions
(again either flux or head), (c) seepage faces, (d) atmospheric boundaries, and (e) free or deep
drainage boundaries. Boundary classes (a) and (b) represent system-independent boundary
conditions, while (c), (d), and (e) are system dependent, i.e., they depend on the prevailing
transient soil moisture or flux conditions. As explained later, instantaneous or cumulative
boundary fluxes across any of the boundaries, and water contents and pressure heads measured
anywhere in the transport domain, can be included in the objective function for purposes of
parameter identification.
While different functions for the unsaturated soil-hydraulic properties may be used in the
inverse problem, the expressions adopted in HYDRUS codes are those of van Genuchten [1980]:
θ (h) - θr n −m
θe(h) = =(1 + α h ) (5)
θs - θr
2
K ( θ ) = K s θ el [ 1 - ( 1 - θ e1 / m ) m ] (6)
the same for both drying and wetting, the only additional parameter describing hysteresis is a
third shape parameter αd for the drying retention curve (we use αw for wetting).
Equation (1) subject to initial and boundary conditions (2), (3) and (4) was solved
numerically by means of the finite element method. The solution scheme was based on the mass-
conservative numerical iterative scheme used by Celia et al. [1990]. A simple modification of
this numerical scheme also permitts similar mass-conservative solutions of quasi-three-
dimensional axisymmetrical flow problems [Šimçnek et al., 1996].
Solute Transport
We assume that solutes can exist in all three phases (liquid, solid, and gaseous) and that
production and decay processes can be different in each phase. We further assume that solutes are
transported by convection and dispersion in the liquid phase, as well as by diffusion in the gas
phase. The partial differential equations governing the nonequilibrium chemical transport of
solutes involved in a sequential first-order decay chain during transient water flow in a variably
saturated rigid porous medium are taken as [Šimçnek et al., 1998b]:
∂θ c k ∂ρ s k ∂ a v g k ∂ ∂c ∂ ∂ g k ∂q c k
+ + = (θ D kw k ) + (a v D kg )- -
∂t ∂t ∂t ∂x ∂x ∂x ∂x ∂x
- ( µ w,k + µ 'w,k )θ c k - ( µ s,k + µ 's,k ) ρ s k - ( µ g,k + µ 'g,k ) a v g k + µ 'w,k -1θ c k -1 (9)
+ µ 's,k -1 ρ s k -1 + µ 'g , k -1 a v g k-1 + γ w,k θ + γ s,k ρ + γ g,k a v - S c r,k k ∈ ( 2, n s )
where for simplicity the one-dimensional formulation is used. In (9) c, s, and g are solute
concentrations in the liquid, solid and gas phases, respectively; q is the volumetric flux density,
µw, µs , and µg are first-order rate constants for solutes in the liquid, solid and gas phases,
respectively; µwN, µsN, and µgN are similar first-order rate constants providing connections between
individual chain species, γw , γs, and γg are zero-order rate constants for the liquid, solid and gas
phases, respectively; ρ is the soil bulk density, av is the air content, S is the sink term in the flow
equation (1), cr is the concentration of the sink term, Dw is the dispersion coefficient for the liquid
phase, and Dg is the diffusion coefficient for the gas phase. The subscripts w, s, and g correspond
with the liquid, solid and gas phases, respectively; subscript k represents the kth chain number,
and ns is the number of solutes involved in the chain reaction. The nine zero- and first-order rate
constants in (9) may be used to represent a variety of reactions or transformations including
biodegradation, volatilization, and precipitation.
The HYDRUS codes may be used to simulate nonequilibrium interactions between the
solution (c) and adsorbed (s) concentrations, and equilibrium interaction between the solution (c)
and gas (g) concentrations of the solute in the soil system. The equilibrium adsorption isotherm
relating s and c is described by a generalized nonlinear equation of the form
k s cβ
s = (10)
1+ η c β
where ks, β and η are empirical coefficients. The Freundlich, Langmuir, and linear adsorption
equations are special cases of (10). The concentrations g and c are related by a linear expression
of the form
g = kg c (11)
into two fractions. Sorption, se, on one fraction of the sites (the type-1 sites) is assumed to be
instantaneous, while sorption, sk, on the remaining (type-2) sites is considered to be time-
dependent. The mass balance equation for the type-2 sites in the presence of production and
degradation is given by
∂ sk k s cβ
= ω ( 1 - f ) - s k - ( µ s + µ 's ) s k + ( 1 - f ) γ s (12)
∂t 1+ η c β
where ω is the first-order rate constant and f is the fraction of exchange sites assumed to be in
equilibrium with the solution phase.
The HYDRUS models also implement the concept of two-region, dual-porosity type solute
transport [van Genuchten and Wierenga, 1976] to permit consideration of physical
nonequilibrium transport. The two-region concept assumes that the liquid phase can be
partitioned into mobile (flowing), θm, and immobile (stagnant), θim, regions and that solute
exchange between the two liquid regions can be modeled as a first-order process, i.e.,
k s β cim ∂ cim
β -1
β -1
k s cim
θ im + ρ ( 1 - f ) = - θ im ( µ + µ ' ) + ρ ( µ + µ ' ) ( 1 - f ) β cim
+
(1 + η cim
β 2
) ∂t
w w s s
1 + η cim (13)
ω (c - cim ) + γ w θ im + ( 1 - f ) ρ γ s
where cim is the concentration in the immobile region and ω is the mass transfer coefficient.
By selecting certain values of the γw, γs, γg, µw, µs, µg, µw', µs', µg', η, ks, kg, f, θim, β and ω
in (9) through (13), the entire system can be simplified significantly.
The inverse problem may be carried out using several direct and indirect methods [Neuman,
1973]. Direct methods treat the model parameters as dependent variables in a formal inverse
boundary value problem [Yeh, 1986]. Indirect approaches, such as the one used in this paper,
attempt to minimize a suitable objective function which expresses the discrepancy between
observed and predicted system response. Initial estimates of the assumed unknown hydraulic and
transport parameters are then iteratively adjusted and improved upon during the minimization
procedure until a desired precision is obtained.
When measurement errors follow a multivariate normal distribution with zero mean and
covariance matrix V, the likelihood function can be written as [Bard, 1974]
1
L(b) = (2 π )- n / 2 det - 1 / 2 V exp { - [ q* - q (b) ]T V - 1 [ q* - q(b) ] } (14)
2
where L(b) is the likelihood function, b = {b1, b2,..., bm} is the vector of unknown parameters (θr,
*
θs, α, n, l, Ks, λ, µw, µs, β, η, and/or others), m is the number of parameters to be estimated, q =
* * *
{q1 , q2 ,..., qn } is a vector containing the observations (e.g., observed pressure heads, water
contents, concentrations, and/or cumulative and actual water or solute infiltration or outflow
rates), q(b) = {q1, q2,..., qn} is a vector of corresponding model predictions obtained with the
unknown parameters, and n is the number of observations. The maximum likelihood estimate is
that value of the unknown parameter vector b that maximizes the value of the likelihood function.
Assuming that the covariance matrix V is diagonal, i.e., the measurement errors are uncorrelated,
the problem of maximizing the likelihood function simplifies in a weighted least-squares
minimization problem
1528 Òimçnek and van Genuchten
n
Φ (b) = ∑ wi [ qi* - qi (b) ]2 (15)
i =1
If something about the distribution of the fitted parameters is known before the inversion,
that information can be included into the parameter identification procedure by multiplying the
likelihood function with the prior probability density function (pdf), p0(b), which summarizes the
prior information. Estimates which make use of prior information are known as Bayesian
estimates, and lead to the maximization of a posterior pdf, p*(b), given by
p* (b) = c L(b) p0 (b) (16)
in which c is a constant. The posterior density function is proportional to the likelihood function
when the prior distribution is uniform
The objective function Φ to be minimized during the parameter estimation process in both
HYDRUS models is defined as [Šimçnek et al., 1998b,c]:
mq nq j
Φ (b , q , p ) = ∑ v j ∑ wi, j [ q*j ( x, 2
t i ) - q j ( x , t i , b) ] +
j =1 i =1
mp npj
(17)
nb
∑ v j ∑ wi, j [ *
pj( 2
θ i ) - p j (θ i , b ) ] + ∑ vˆ j [ b*j - b j ]
2
j =1 i =1 j =1
where the first term on the right-hand side represents deviations between the measured and
calculated space-time variables (e.g., observed pressure heads, water contents, and/or
concentrations at different locations and/or time in the flow domain, or actual or cumulative
fluxes versus time across a boundary of specified type). In this term, mq is the number of
different sets of measurements, nqj is the number of measurements within a particular
measurement set, qj*(x,ti) represents specific measurements at time ti for the jth measurement set
at location x, qj(x,ti,b) represents the corresponding model predictions for the vector of optimized
parameters b (e.g., θr, θs, α, n, l, Ks, Dl, kg, ...), and vj and wi,j are weights associated with a
particular measurement set or point, respectively. The second term on the right-hand side of (17)
represents differences between independently measured and predicted soil hydraulic properties
(e.g., retention, θ(h), and/or hydraulic conductivity, K(θ) or K(h), data), while the terms mp, npj,
pj*(θi), pj(θi, b), vj and wi,j have similar meanings as for the first term but now for the soil
hydraulic properties. The last term of (17) represents a penalty function for deviations between
prior knowledge of the soil hydraulic parameters, bj*, and their final estimates, bj, with nb being
the number of parameters with prior knowledge and vj representing pre-assigned weights. We
note that the covariance (weighting) matrices which provide information about the measurement
accuracy, as well as any possible correlation between measurement errors and/or parameters, are
assumed to be diagonal in both models. The weighting coefficients vj may be used to minimize
differences in weighting between different data types because of different absolute values and
numbers of data involved, and are given either by [Clausnitzer and Hopmans, 1995]:
2
v j =1/ n j σ j (18)
which causes the objective function to become the average weighted squared deviation
normalized by the measurement variances σj2, or by
nj
1
∑ q i ni
vj = min q j ; i =n1 (19)
qj
j
∑ ni
i =1
where qj is the mean of a particular measurement set, or can be specified independently as input.
1530 Òimçnek and van Genuchten
Many techniques are available for solving the nonlinear minimization/maximization problem
[Bard, 1974; Yeh, 1986; Kool et al., 1987]. Most methods are iterative by starting first with a
given initial estimate bi of the unknown parameters to be estimated, followed by a study of how
the objective function Φ(b) behaves in the vicinity of the initial estimate. Based upon this
behavior one selects a direction vector vi such that the new value of the unknown parameter
vector, i.e.,
bi +1 = bi + ρ i v i (20)
HYDRUS-1D EXAMPLES
Because of a very general formulation of the inverse problem and the possibility to use
different combinations of boundary conditions, the HYDRUS models can be used for a wide
variety of parameter optimization problems. Typical applications include onestep [Kool et
al., 1985] and multistep [van Dam et al., 1992, 1994; Eching et al., 1993] outflow
experiments, upward infiltration [Hudson et al., 1996], and evaporation experiments
[Ciollaro and Romano, 1995; Santini et al., 1995; Šimçnek et al., 1998d, 1999b]. Below we
demonstrate the use of HYDRUS-1D for estimating the soil hydraulic parameters from
multistep outflow data, and a horizontal infiltration experiment followed by redistribution.
The latter example demonstrates the use of HYDRUS-1D for evaluating water flow involving
hysteresis. We will also use HYDRUS-1D here to estimate nonlinear parameters for solute
transport involving Freundlich adsorption by analyzing a measured breakthrough curve.
pressure heads. Excellent agreement was obtained for both variables. The final fit for the
optimized soil hydraulic parameters (θr=0.197, θs=0.438, α=0.0101 cm-1, n=1.43, l=3.80, and
Ks=0.521 cm h-1) had an r2 of 0.9995.
Fig. 1. Measured and optimized cumulative bottom flux during a multistep outflow experiment.
Fig. 2. Measured and optimized pressure heads in soil sample during a multistep outflow experiment.
experiment. An excellent fit could be obtained only when hysteresis was considered. The
following soil hydraulic parameters were obtained: θr=0.009, θs=0.423, αd=0.0637 cm-1,
-1 -1
αw=0.0910 cm , n=3.86, l=1.47, and Ks=0.0202 cm min .
Fig. 4. Measured and optimized breakthrough curve for a nonlinear solute transport problem.
HYDRUS-2D EXAMPLES
Similarly as HYDRUS-1D, HYDRUS-2D [Šimçnek et al., 1996] can be used for a broad
range of inverse problems. Recent applications with HYDRUS-2D include estimating soil
hydraulic parameters from data collected with a tension disc infiltrometer [Šimçnek and van
Genuchten, 1996, 1997; Šimçnek et al., 1998a,c], a modified cone penetrometer [Gribb et al.,
1998; Kodešová et al., 1998, 1999; Šimçnek et al., 1999a], and using multistep soil water
extraction device [Inoue et al., 1998, 1999]. Below is an example of the use of HYDRUS-2D
for analyzing tension disc infiltrometer data.
Fig. 5. Measured and optimized cumulative infiltration curves for a tension disc infiltrometer
experiment carried out in the Sahel region.
Fig. 6. Unsaturated hydraulic conductivities calculated using Wooding's analytical solution for
particular pressure heads, and the complete function obtained with numerical inversion.
CONCLUSIONS
Two numerical codes (HYDRUS-1D and HYDRUS-2D) were developed for identifying
soil-hydraulic and solute transport parameters from unsaturated flow and transport data in a one-,
two-, and quasi-three-dimensional porous media. The utility of the two codes was demonstrated
using data typically obtained during multistep outflow experiment, horizontal infiltration
followed by redistribution, a column miscible displacement (breakthrough) study, and a three-
dimensional disc permeameter infiltration experiment. Because of their generality (in terms of
the definition of the objective function, the possible combination of different boundary and initial
conditions, and options for considering multi-layered systems), both models are extremely useful
tools for analyzing a broad range of steady-state and transient laboratory and field flow and
Estimating Flow and Transport Parameters with HYDRUS Codes 1535
transport experiments.
1536 Òimçnek and van Genuchten
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