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Published online 27 October 2005
Published in Soil Sci Soc Am J 69:1891-1901 (2005)
DOI: 10.2136/sssaj2004.0226
© 2005 Soil Science Society of America
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Soil Physics

Soil Water Retention

II. Derivation and Application of Shape Index

F. J. Leij, R. Haverkampa,*, C. Fuentesb, F. Zatarainb and P. J. Rossc

a Laboratoire d'Etude des Transferts en Hydrologie et Environnement, LTHE (UMR 5564, CNRS, INPG, UJF, IRD), BP 53X, 38041, Grenoble, Cedex 9, France
b Instituto Mexicano de Tecnología del Agua (IMTA), Paseo Cuauhnáhuac 8532, Col. Progresso 62550 Jiutepec, Morelos, Mexico
c CSIRO Land and Water, Indooroopilly, Qld. 4067, Australia

* Corresponding author (haverkamp{at}hydrowide.com)


    ABSTRACT
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
The concept of a shape index was introduced in Part I to characterize the water retention curve. A potential problem with the parameterization of retention data is the interdependency of parameter values and their conversion to other parametric models. In this Part II the shape index is used to derive formulae for the conversion between: (i) hydraulic parameters of the Brooks-Corey (BC) and van Genuchten (vG) equations, (ii) parameter sets with and without the constraint that the residual water content {theta}r = 0, and (iii) vG-shape parameters with different constraints. The dependency of hydraulic parameters on the optimization strategy and the applicability of conversion equations were investigated with 660 retention curves from the GRIZZLY database. The BC-shape parameter {lambda} and the vG-shape factor mn are poorly correlated for larger {lambda} and mn (overall r2 = 0.96 for {theta}r = 0). Instead of the commonly used equality {lambda} = mn, conversion based on the shape indices PBC and PvG is more accurate (r2 = 0.99). The shape index is also convenient to accurately predict shape parameters for different constraining scenarios involving {theta}r and m = 1 – k/n. The values for {theta}r and the shape parameters {lambda} and mn are not unique. They are positively correlated to maintain the same soil water capacity for a particular soil. For the optimization of parameters, we recommend constraining {theta}r. Accurate optimization of retention data, in particular the shape parameters, is possible by constraining {theta}r to a non-zero value inferred from the shape index.

Abbreviations: BC, Brooks-Corey Model • RMSE, root mean square error • vG, van Genuchten Model


    INTRODUCTION
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
IN HAVERKAMP et al. (2005) we illustrated how different parameterizations may complicate the analysis of soil water retention data. In particular, the conversion of retention parameters between different models was prone to error. We introduced the shape index P to characterize the retention behavior of a particular soil with a single number. The value for P is directly linked to the mass fractal dimension, the upper limit for the shape index being 3 for a soil exhibiting fractal behavior. Values for P computed from water retention points were shown as a function of soil texture. In this Part II, we are interested to use the shape index to provide a benchmark for obtaining consistent and comparable hydraulic parameters.

We will again consider the parametric models by Brooks and Corey (1964) and van Genuchten (1980). These are respectively defined as:

[1]

[2a,b]
where {theta} is the volumetric water content (L3 L–3), {theta}r and {theta}s are the water content scaling parameters. The variable h is the pressure head (L), expressed in centimeters of water and taken as the absolute value of the matric head, is scaled by hBC or hvG (Haverkamp et al., 2002). Finally, {lambda}, m, and n are shape parameters and k is a user index to constrain the vG-shape parameters (which are denoted by mk and nk when constrained). The product of m and n (or of mk and nk) will be referred to as the shape factor mn (or mnk). As was shown in Part I (Haverkamp et al., 2005), the common approach for conversion between vG and BC equations by assuming that {lambda} = mn involves considerable error, especially for coarse-textured soils.

The shape index is defined by:

[3]
where P is an integral measure of the slope of the log-transformed retention curve. In addition to obtaining a value for P directly from experimental data (experimental P), we also want to be able to calculate a value by substituting parameters of any water retention model into an expression obtained by evaluating Eq. [3] for that model (parametric P). Conversion between parameters obtained from different parameterizations might then be possible based on the premise that the shape index is constant. The description of the slope, and hence the shape index, will typically vary depending on the optimization, but this effect is considered unrelated to the conversion itself. Conversions are important for comparing and applying data from different studies with varying parameterizations, and for constraining so as to allow a smaller number of parameters. Of particular interest are constraints on {theta}r and mk.

The objectives of this paper are: (i) to derive expressions for the shape index in terms of parameters in the vG and BC equations, (ii) to formulate conversions for shape parameters from different optimization scenarios, and (iii) to apply the shape index to improve conversion and optimization of hydraulic parameters.


    PARAMETRIC SHAPE INDEX
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
Figure 1 illustrates the organization of the material for different scenarios and includes pertinent equation numbers and parameters considered here. Additional conversions are possible and the shape index concept is not restricted to the BC and vG equations. Based on the formal definition of the shape index, we can obtain a value for the index using experimental retention data (as was already done in Part I [Haverkamp et al., 2005]) or according to formulae based on a parametric model for the retention curve (as will be done here). Different formulae are used for {theta}r = 0 (upper dashed box in Fig. 1) and {theta}r > 0 (lower dashed residual mode box). Equations for the conversion of shape parameters of the BC and vG equations will be derived. For the vG equation, the shape index concept will be reviewed both with unconstrained m and n, and with the constraint mk = 1 – k/nk (the dotted user mode box). Transformations between different k can be readily done for {theta}r = 0.



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Fig. 1. Outline of presentation of shape index with equation numbers for parameter conversion.

 
Closed-form expressions for P may be obtained by evaluating the integral in Eq. [3]. We will obtain such parametric shape indices for the BC and vG equations for the nonresidual mode ({theta}r = 0) and the residual mode ({theta}r > 0). Values for the parametric shape indices will be computed from retention parameters from the databases GRIZZLY (Haverkamp et al., 1998) and UNSODA (Leij et al., 1996).

Nonresidual Mode
Eliminating {theta}r as an optimization variable by setting {theta}r = 0 is attractive in view of possible convergence problems during optimization, the lack of a conceptual underpinning of {theta}r, and the poor predictability of {theta}r (Leij et al., 2002). Conversions for the nonresidual mode are illustrated in the upper part of Fig. 1.

Substitution of the BC equation with {theta}r = 0 in Eq. [3] reveals that the index is simply equal to the shape parameter:

[4]
where the subscript "0" indicates the nonresidual mode.

The shape index for the vG equation with or without the user index is given by:

[5]

Note that the shape parameters in the user mode, m0,k and n0,k, and their product mn0,k will normally not be equal to their unconstrained values m0, n0, and mn0. If the retention curve exhibits fractal behavior, we may require that PvG < 3. In the user mode, this implies the following constraint on the shape factor for a particular value of the user index k:

[6]
This condition is met for any k if mn0,k < 3. Typically, values for the user index k do not exceed 2 (i.e., the value for the conductivity model by Burdine, 1953) in which case mn0,k may be as much as 5.16 without violating the condition. Such high values for mn0,k were rarely encountered for the UNSODA and GRIZZLY databases (Fig. 3 in Haverkamp et al., 2005).

Figure 2 provides a qualitative illustration of PvG as a function of sand and clay percentages for a subsample of the GRIZZLY database (every thirteenth sample out of a total of 660). The retention data were optimized assuming {theta}r = 0 using the "Burdine" constraint (i.e., k = 2). The shape index, PvG, was computed from the optimized mn0,k using Eq. [5]. The insert shows the corresponding retention curves for PvG equal to 0.05, 0.25, and 1.25. Despite the different sample populations and the methods to estimate the shape index, the behavior of P with texture shown in Fig. 2 is quite similar to that for experimental P shown in Fig. 9 of Haverkamp et al. (2005). This gives credence to the concept of a shape index to quantify retention with a single number.



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Fig. 2. Shape index PvG computed for GRIZZLY according to Eq. [5] with k = 2, {theta}r = 0 as a function of clay and sand percentage.

 
Residual Mode
We now consider computation of the shape index for {theta}r > 0 (the residual mode in the lower box of Fig. 1). If we substitute the BC equation into Eq. [3], we obtain the following expression for the shape index:

[7]
Because we postulate that PBC is independent of the parameterization, we must have {lambda} ≥ {lambda}0 (Eq. [4]). The difference in {lambda} and {lambda}0 should compensate for the effect of {theta}r.

The shape index is more complicated for the vG equation. Insertion of Eq. [2a] into Eq. [3] and evaluation of the integral for unconstrained m and n yields

[8]
where 2F1() is the hypergeometric function (Oberhettinger, 1964). The index for the constrained case is identical except for the substitutions nk = k/(1 – m) and mk = m. A first-order approximation is:

[9a,b]
This expression is very similar to Eq. [7] for PBC except for the (un)constrained shape parameters. A slightly more precise second-order approximation is:

[10a,b]
The correction factors ß1 and ß2 account for the effect of a nonzero {theta}r. Note that we have given equations both without and with a user index. A comparison between Eq. [5] and [9a] or [10a] shows that mnk > mn0,k for a given k (Fig. 5 of Haverkamp et al., 2005). As k->{infty}, the value of PvG approaches mn0,k and the vG and BC equations become equivalent (Fig. 6 in Haverkamp et al., 2005).

The parametric shape indices PvG and PBC are plotted versus the experimental shape index P for UNSODA in Fig. 3 . The parameters in the BC and vG equations were optimized using {theta}r and, for Eq. [2], with both m and n among the fitting parameters. We used all 220 samples that yielded a positive {theta}r for both the vG and BC equations. PBC was predicted with Eq. [7], the exact expression PvG with Eq. [8], and the first- and second-order approximations (PvG1 and PvG2) with Eq. [9a] and [10a]. The hypergeometric function in Eq. [8] was evaluated with the Mathematica software (Wolfram Research, Inc., Champaign, IL). The coefficients of correlation between all shape indices, which are provided in the insert, are fairly high. The parametric shape index for the BC equation exhibits a lower correlation with the "experimental" P (r2 = 0.921) than the indices for the vG equation because the latter fits the data better. The exact expression PvG has a negligibly better correlation with P than the first- and second-order approximations (PvG1 and PvG2). The highest correlation (r2 = 0.999) is found between PvG1 and PvG2 due to their similar formulation. The simpler first-order approximation appears more than adequate to estimate PvG.



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Fig. 3. Parametric shape index PBC according to Eq. [7] and PvG according to Eq. [9a], [10a], and [8], that is, the first- and second-order approximation and the exact expression, computed from optimized {theta}r, {theta}s, {lambda}, m, and n as a function of the experimental shape index, P, using samples from UNSODA with a positive {theta}r. Coefficients for the correlation between all shape indices are provided in the insert.

 
Comparisons
Table 1 contains retention parameters as well as r2–values for three UNSODA samples optimized with the RETC-program of van Genuchten et al. (1991) using six parametric models: the BC equation with {theta}r = 0 and with optimized {theta}r, and the vG equation with {theta}r = 0 and fitted {theta}r, both with and without the constraint mk = 1 – 2/nk. The retention data are described fairly well, even with constraints in place, except in case of Scenario 4 for the clay soil. The last line of Table 1 shows values for the shape index computed according to the previous parametric models. The coefficient of variation for the parametric P is 15.8% for the loamy sand, 7.2% for the silt loam, and 12.9% for the clay soil excluding Scenario 4. The value for P varies due to the different description of the slope of the retention curve by the parametric models. The experimental shape indices were 0.41 for the loamy sand, 0.16 for the silt loam, and 0.049 for the clay. Differences between experimental and parametric shape index are caused by errors in the numerical approximation of P from experimental data as well as the parameterization. No attempt was made to minimize the difference by using a more accurate interpolation procedure for P or by improving the optimization results. The closest correspondence, in both relative and absolute terms, occurred for the clay soil. Fitting Scenario 2 yielded a high estimate of P for the loamy sand due to the small {theta}s{theta}r, whereas the poor fitting of retention data caused P to be out of line for Scenario 4 for the clay soil.


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Table 1. Optimized and constrained hydraulic parameters, fitting coefficients and shape index according to six parameterizations for three samples from UNSODA.

 
In Part I (Haverkamp et al., 2005) we discussed the dependency of the shape factors on the value of {theta}r. We expect the (parametric) shape index to be largely independent of {theta}r for a particular soil and hence to be more useful to characterize water retention than mn. Figure 4a depicts optimized mn2 in the residual mode versus mn0,2 optimized with {theta}r = 0 (compare with Fig. 5 of Haverkamp et al., 2005). The scattergram demonstrates that constraining {theta}r will affect the value for mnk. A similar plot in Fig. 4b shows PvG computed according to Eq. [10a], that is, optimization in the residual mode, versus PvG with Eq. [5] for {theta}r = 0. The agreement is remarkably good, considering the uncertainty of optimized {theta}r, with very little deviation from the 1:1-line (r2 = 0.97). This result confirms that the shape index remains constant regardless of the scale parameter {theta}r. For this reason, the shape index is more suitable to quantify retention than the shape factor. If the latter is used, mn0,k seems a better choice than mnk for use with pedotransfer functions or cross correlations, because it ensures consistency even though the fit with {theta}r = 0 may be slightly poorer (Fig. 7b in Haverkamp et al., 2005).



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Fig. 4. Effect of {theta}r as an optimization parameter for k = 2 on 247 samples of GRIZZLY database: (a) mn2 as a function of mn0,2 and (b) PvG computed from optimization results with {theta}r > 0 versus results for {theta}r fixed at 0.

 

    CONVERSION EQUATIONS
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
With the formulae for the shape index, we can derive equations to convert shape parameters obtained for different parameterizations. Such conversions are based on the premise that the shape index is constant. Of course, conversions will are no panacea for a poor fit of the data or an incorrect choice of parametric model. Figure 1 contains a schematic of the different conversions.

Brooks-Corey and van Genuchten Equations
Conversion between the shape parameters in the BC and vG equations is easily done for {theta}r = 0. We equate Eq. [4] and Eq. [5], with the user index, to obtain:

[11]

[12]
For m and n optimized independently, we can still use Eq. [5] to compute {lambda}0. The reverse, that is, computing both m0 and n0 from a single {lambda}0, is not possible without additional assumptions. For the residual mode ({theta}r > 0), we can still use the above equations by first converting {lambda} and mnk to {lambda}0 and mn0,k.

User Mode
For the vG equation, we also like to be flexible regarding the user index. Conversion of the shape parameters is again done for {theta}r = 0. We consider conversions to, from and within the user mode, respectively.

We may determine m0,k—and hence n0,k because of the constraint posed by Eq. [2b]—for an arbitrary k from unconstrained m0 and n0 by rewriting Eq. [5] as:

[13a,b]
where the shape factor mn0 denotes the product of unconstrained m0 and n0.

Conversion from the user mode, that is, predicting the unconstrained shape parameters m0 and n0 from n0,k, is possible if we are making the additional assumption that mn0 {approx} mn0,k. This assumption is reasonable for small mn0,k (e.g., mn0 < 0.8; see Haverkamp et al., 2005, Fig. 6). In this case:

[14]
Conversion within the user mode between constrained shape parameters obtained for different user indices, say k1 and k2, may be done according to (Eq. [5]):

[15]
Instead of using these conversions, we can also estimate shape parameters for the desired constraining scenario from the shape index—computed from experimental data or from a different parameterization—according to Eq. [5].

Residual Mode
We know that changes in {theta}r imply a commensurate change in {lambda}, m, and n because the shape index presumably remains constant and because the other water content scale factor, {theta}s, is invariant (Fig. 4, in Haverkamp et al., 2005).

For conversion to and from the residual mode, we equate the shape indices for {theta}r = 0 and {theta}r > 0. The conversion of the BC-shape parameter is governed by:

[16]
This follows directly from Eq. [4] and [7]. Conversion of vG-shape parameters is governed by (Eq. [5] and [9a] or [10a]):

[17a,b]
where ß denotes either ß1 or ß2 according to Eq. [9b] or [10b]. Note that if {theta}r = 0, we have ß = 1 and a trivial conversion since there is no residual mode. The parameter ß accounts for the dependency of the shape parameters on {theta}r/{theta}s. The behavior of the individual shape parameter mk in the residual (and user mode) is related to that in the nonresidual mode according to:

[18]
This expression follows from Eq. [2b] and [17b]. If the shape parameters are not constrained by a user index, we may invoke the assumption mn0 ~ mn0,k for small mn0 (Eq. [14]) to obtain from Eq. [17a]:

[19]


    CONVERSION OF SHAPE PARAMETERS
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
Brooks-Corey and van Genuchten Equations
As was discussed in Part I (Haverkamp et al., 2005), the retention functions according to Eq. [1] and [2] yield equivalent results for large h/hvG or n, provided that hBC = hvG and {lambda} equals either mnk or mn. Figure 5a shows {lambda}0 as a function of mn0,2—the Burdine constraint with user index k = 2—for 655 samples of GRIZZLY. Beyond the threshold value of, say, mn0,2 = 0.8, the commonly assumed identity {lambda} = mn is no longer satisfied. This threshold increases with k (Fig. 6 of Haverkamp et al., 2005). Equation [11] is convenient to assess the equivalence between vG and BC equations. The equality {lambda}0 = mn0,k only holds if mn0,k << k (i.e., mn0,k->0 and/or k->{infty}), while Eq. [12] similarly implies that mn0,k = {lambda}0 only if {lambda}0<<k (i.e., {lambda}0->0). The condition {lambda}0 = mn0,k therefore constitutes a limiting case for large k.



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Fig. 5. Parameter optimization to retention data from GRIZZLY with {theta}r = 0 using the BC and vG equations (k = 2): (a) {lambda}0 as a function of mn0,2 and (b) PBC as a function of PvG.

 
Instead, the conversion between {lambda}0 and mn0,k may be done using the shape index concept according to Eq. [11] and [12]. For the residual mode, we will first need to transform {lambda} and mnk to values for the nonresidual scenario (i.e., {theta}r = 0) with Eq. [16] or [17]. A plot of PBC (equal to {lambda}0) as a function of PvG (calculated from Eq. [10a]) is given in Fig. 5b. The agreement between the two shape indices is very good (r2 = 0.989). This confirms that we may use the shape index to convert shape parameters between the BC and vG equations.

To further assess the utility of the shape index for the conversion of {lambda}0 to mn0,2, we also compared the RMSE of optimized water contents for unconstrained optimization of {theta}s, mn0,2, and hvG with the RMSE for constrained optimization using PBC = {lambda}0. In the latter case, only {theta}s and hvG are optimized while mn0,2 is obtained from {lambda}0 according to Eq. [12]. The close correspondence between RMSE-values for the "constrained" and the "unconstrained" optimizations suggests again that the shape index is useful to convert BC and vG parameters (Fig. 6) .



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Fig. 6. Optimizing vG equation to water content of 655 soils from GRIZZLY: RMSE if shape factor mn2 is independently predicted from BC equation with PBC = PvG versus RMSE if mn2 is included in the optimization.

 
We will now predict {lambda}0 from the vG-shape factor mnk using only the water retention shape index, as an alternative to the conversion equations diagrammed in Fig. 1. The value for mn1 was optimized in the residual mode, and PvG was calculated with Eq. [10a] if {theta}r > 0 and with Eq. [5] if the optimization yielded {theta}r = 0. We then estimated {lambda}0 from Eq. [4] based on the equality PBC = PvG. Figure 7a shows a scattergram of the estimated versus the independently optimized {lambda}0. The agreement between the two is remarkably good (r2 = 0.981). For comparison, we also used the estimation {lambda}0 = mn0,1 where the latter was obtained by optimizing Eq. [2] to retention data with {theta}r = 0 and k = 1 (i.e., the constraint for use with the conductivity model by Mualem, 1976). This conversion does not work as well, at least for larger {lambda}0, as conversion based on the shape index (Fig. 7b).



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Fig. 7. Shape parameter {lambda}0 estimated from parameters of the vG equation, as a function of optimized {lambda}0 for 660 samples from GRIZZLY: (a) estimation from shape index, PvG, and (b) estimation with {lambda} = mn1.

 
User Model
For the vG equation we need to examine the functional relationship between k and mnk. Note that mnk should be considered the dependent variable since the user selects k based on the hydraulic conductivity model in which the retention data are to be used. For the case {theta}r = 0, we can readily rearrange Eq. [5] as:

[20]
which gives in combination with Eq. [2b]:

[21]

Figure 8a depicts mn0,k optimized for k = 0.5, 1, 2, 3, 5, 7, and 10 as a function of mn0,2 (i.e., the Burdine constraint). The results indicate that the vG shape factor mn0,k depends on the value of the user index; mn0,k becomes larger than mn0,2 for k < 2 and smaller for k > 2. The correspondence between mn0,k and mn0,2 becomes worse for higher mn0,k. By no means can mn0,k be considered an intrinsic soil characteristic because it depends on the user index.



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Fig. 8. The effect of the user index, k, for optimizations of GRIZZLY data with {theta}r = 0: (a) shape parameters mn0,k for user index k = 0.5, 1, 3, 5, 7, and 10 as a function of mn0,2, and (b) shape index, PvG, for user index k = 0.5, 1, 3, 5, 7, and 10, as a function of PvG for k = 2.

 
We also computed PvG from the optimized shape parameters with Eq. [5]. A plot of PvG(k) calculated for different k as a function of PvG(k = 2) is given in Fig. 8b. As opposed to mn0,k, the correspondence between PvG for k = 2 and that for other k is also good for higher PvG. There is a slight deviation from the 1:1-line for a few samples with large PvG near or above 3, the upper limit for soils showing fractal behavior. The shape index PvG remains fairly constant for a given soil regardless of the user index.

The relationship between shape index and shape factor is further explored in Fig. 9 , which shows PvG as a function of mn0,k for different k according to Eq. [20]. As previously noted, k is often chosen independently based on the hydraulic conductivity model. The increase in PvG does not keep pace with that of mn0,k, especially for lower k. Since PvG is constant for a particular soil, there is an appropriate mn0,k for each k. If k->{infty}, we already noticed that PvG tends to mn0,k (Eq. [5b]) and hence m0,k->0 (Eq. [21]). The shape index can be used to convert mn0,k-values for different user indices k (Fig. 1).



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Fig. 9. The water retention shape index PvG as a function of mn0,k according to Eq. [5] for user index k = 0, 1, 2, 10 for the vG equation and k->{infty} for the BC equation.

 
Residual Mode
The value for {theta}r may not greatly affect the goodness of fit (Fig. 7b of Haverkamp et al., 2005 and Leij et al., 1997), but its influence on retention shape parameters such as {lambda}, m, and n requires further scrutiny (Fig. 5 of Haverkamp et al., 2005). Here we examine the ratio of nonresidual mode to residual mode shape parameters of the BC and vG equations as a function of {theta}r/{theta}s. The uncertainty associated with {theta}r and mnk is our second topic; we will use the shape index and optimized mn0,k and mnk values to predict {theta}r/{theta}s as well as the reverse procedure.

Dependency of {lambda} and mnk on {theta}r
The theoretical behavior of {lambda}/{lambda}0 as a function of {theta}r/{theta}s, defined by Eq. [16], is shown in Fig. 10a (left-hand axis). The ratio {lambda}/{lambda}0 increases rapidly with {theta}r. For example, when {theta}r/{theta}s = 0.20, {lambda} increases by 67% compared with {lambda}0 for {theta}r/{theta}s = 0. We postulated in Haverkamp et al. (2005) that to maintain the soil water capacity for a particular soil—equivalent to the shape index—an increase in the shape factor is compensated by a larger {theta}r. Note that coarse-textured soils have larger {lambda} and smaller {theta}r than fine-textured soils. To put the deviation of {lambda} from {lambda}0 in perspective, we have also included the distribution of {theta}r/{theta}s among GRIZZLY samples with a nonzero {theta}r in Fig. 10a. Although the majority of samples have a zero or small value for {theta}r/{theta}s, for a sizeable number of samples {theta}r/{theta}s > 0.05 and the difference between {lambda}0 and {lambda} will be at least 25%. It is clear that the use of {lambda}-values obtained for different optimizations of {theta}r can easily lead to invalid comparisons.



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Fig. 10. The effect of variations in {theta}r on shape parameters: (a) {lambda}/{lambda}0 and mn2/mn0,2 using a first- and second-order approximation (left-hand axis) and the distribution of samples with a nonzero {theta}r (right-hand axis) from GRIZZLY as a function of {theta}r/{theta}s and (b) mn2/mn0,2 using different m0,2 (left-hand axis) and the distribution of samples with a nonzero {theta}r (right-hand axis) from UNSODA.

 
The relation between nonresidual and residual vG-shape factors is also shown in Fig. 10a for k = 2; mn2/mn0,2, computed according to Eq. [18] and [2b], is plotted as a function of {theta}r/{theta}s for the two approximations of ß. We have used m0,2 = 0.15, which is a typical value for the soils from GRIZZLY (m0,2 ranges between 0.005 and 0.112 with a mean of 0.112 and a median of 0.091). The shape parameter mn2 increases rapidly with {theta}r. The more precise second-order approximation shows the greatest relative increase of mn2 with {theta}r. The shape parameter of the BC equation, {lambda}, is slightly less sensitive to {theta}r than mn2. To examine the role of m0,2, we plotted mn2/mn0,2 as a function of {theta}r/{theta}s for three m0,2 (Fig. 10b). The influence of {theta}r on the value of mnk becomes somewhat stronger for smaller m0,2 (i.e., fine-textured soils). Evidently the magnitude of m0,2 is of secondary importance. Figure 10b also contains a histogram for samples with a nonzero {theta}r from the UNSODA database (Leij et al., 1996). Just as for GRIZZLY, a considerable number of samples have nonzero {theta}r/{theta}s.

Predictability of {theta}r and mnk
Here we consider how well {theta}r and mnk can be predicted from one another assuming that {theta}s is invariant with residual mode. The first-order approximation ß1 was defined by Eq. [9b] and may also be derived by rewriting Eq. [17b]:

[22]
Note that m0,k and mk follow directly from mn0,k and mnk because of the user mode constraint.

First, consider the hypothetical example that the shape factors mn0,k and mnk are known (i.e., nonresidual and residual modes), but that {theta}r is not known. The shape factors are substituted in Eq. [22], which is then solved for {theta}r/{theta}s. The resulting {theta}r/{theta}s predicted in this way are plotted as a function of the optimized {theta}r/{theta}s for both k = 1 and 2 in Fig. 11a . Obviously, only soils with {theta}r > 0 are considered because {theta}r = 0 yields the trivial result ß1 = 1. Even though the prediction of {theta}r/{theta}s is good for small {theta}r/{theta}s, the scatter around the 1:1-line increases considerably for larger {theta}r/{theta}s. This suggests that {theta}r is difficult to predict and that the shape index concept is not suitable to quantify {theta}r—a scale parameter.



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Fig. 11. Predictability of residual water content and shape factor with the first-order approximation of the shape index using Eq. [22]: (a) predicted versus optimized {theta}r/{theta}s and (b) predicted versus optimized mnk.

 
Second, consider prediction of mnk from {theta}r. Optimized {theta}r/{theta}s and mn0,k values were substituted in Eq. [22], which was then solved for mnk. Figure 11b compares these predicted mnk with independently optimized mnk for k = 1 and k = 2. It appears that the shape index is more suitable to predict the shape factor mnk than the scale factor {theta}r/{theta}s.


    CONSTRAINED OPTIMIZATION
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
It might be desirable to constrain {theta}r to a nonzero value during parameter optimization. We can use the shape index to do this using the following procedure. First, optimize {{theta}s, hvG, mn0,k} with {theta}r = 0 to estimate PvG from Eq. [5]. To obtain the correction factor ß1, we need to repeat the optimization in the residual mode to obtain {{theta}r, {theta}s, hvG, mnk}. The shape factor from this second optimization is then used to compute ß1 with Eq. [9a] using the independent value for PvG from the first optimization. A non-zero value for {theta}r that can be used as constraint follows from Eq. [22] using the value for {theta}s from the second optimization. This value for {theta}r is then used as a fixed parameter in a third optimization to yield where the asterisk denotes a non-zero constraint on {theta}r.

As an example, consider the silt loam used in Table 1. Table 2 contains the values for the retention parameters, the standard error (SE), and 95% confidence limits (CL), the sum of squared differences between observed and optimized water contents (SSQ), and values for the shape index PvG. We used the Burdine constraint (k = 2). The first optimization with {theta}r = 0 yields the poorest fit with SSQ equal to 0.00262 cm6 cm–6. From Eq. [5] we obtain PvG = 0.158. The second optimization without a constraint on {theta}r yields the closest description of the retention data (SSQ = 0.00151 cm6 cm–6), but there is a more than six-fold increase in the SE for n2 compared with the first optimization. Also notice the greater uncertainty associated with optimizing {theta}r than {theta}s. Using the optimized mn2 from the second and PvG from the first optimization, we obtained ß = 0.506 with Eq. [9]. By solving Eq. [22] with {theta}s = 0.427 cm3 cm–3 using Mathematica, we found {theta}r = 0.119 cm3 cm–3. The latter is then used as constraint for the third optimization. There is a marginally larger SSQ for the third than for the second, unconstrained optimization. More importantly, the SE is smaller and the confidence interval narrower for {theta}s, hvG, and especially n2. The strong dependency of the shape factor on {theta}r was already shown in Fig. 10. Incidentally, the shape indices for optimizations 2 and 3 are nearly identical. The value for PvG is larger for Optimization Model 1 where the fit was not as good.


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Table 2. Sequential optimization to constrain {theta}r to a positive value for San Fernando silt loam.

 

    CONCLUSIONS
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 
The water retention shape index, P, was introduced in Haverkamp et al. (2005) (Part I) to quantify the slope of the water retention curve. Here in Part II, we derived expressions for the shape index in terms of the parameters for the popular BC and vG equations. However, the shape index concept can also be applied for other equations. Formulae for the shape index were obtained for different constraining scenarios as outlined in Fig. 1. For the vG equation, the exact expression for PvG is somewhat complicated and two approximations were provided for the residual mode ({theta}r > 0).

Figure 2 illustrates the dependency of the parametric shape index on texture, which is similar to that shown in Haverkamp et al. (2005) for the experimental shape index. The shape index was fairly constant with parameterization (Table 1, Fig. 3), the variation is mainly due to the different description of the retention curve and its slope. Unlike the shape factor mn, the shape index is barely affected by the magnitude of {theta}r (Fig. 4). The parametric shape index hence appears a useful tool to quantify retention data with a single number and to allow for comparison and conversion of parameters from different optimizations. The conversion of shape parameters involved: (i) the BC and vG equations, (ii) parameter sets with and without {theta}r equal to zero, and (iii) vG parameters for different user indices. The equations used in the conversions are also shown in Fig. 1.

Figure 5a showed that the popular assumption {lambda} {approx} mn for conversions between BC and vG parameters was inaccurate even if {theta}r = 0. Albeit mathematically convenient, this conversion rests on the specious hypothesis that {lambda} and mnk do not depend on {theta}r and k. Conversions between {lambda} and mnk are better done with Eq. [11] and [12] using equivalence of the shape index (Fig. 5b). There is virtually no difference in RMSE for the fit of water content if mnk is included in the optimization or independently predicted from BC parameters using the shape index (Fig. 6). Predictions of the BC shape parameter {lambda} are also best made using the shape index rather than the vG shape factor (Fig. 7).

The choice of a particular conductivity model in which retention data are to be used often determines the value for the user index k. Unlike the shape factor, the shape index is virtually independent of k (Fig. 8). Shape factors for different k can be readily obtained from the shape index. The theoretical change in mn with PvG is illustrated in Fig. 9 for different k.

The scale factor {theta}r determines the range of water contents included in parameterization of retention data. The value for {theta}r might affect optimization of retention parameters such as {lambda}, m, and n. Figure 10 illustrates that for both the BC and vG equations, the value for the shape parameters strongly depends on {theta}r. The theoretical results suggest that the shape parameters increase with {theta}r to presumably maintain the same slope (shape index) for a particular soil. Optimization of data in the GRIZZLY and UNSODA databases revealed that {theta}r is larger than zero for an appreciable number of samples. The erratic behavior of {theta}r implies the difficulty of predicting this parameter (Fig. 11). Hence we recommend quantifying hydraulic parameters by constraining {theta}r. Commonly, {theta}r has been set to zero. Constraining {theta}r to a non-zero value might be more accurate. We did this in a sequential optimization procedure that yielded parameters—particularly the shape factors—with smaller standard errors than if {theta}r were set to zero or not constrained (Table 2).

An extension of the current work on shape parameters, would be a further analysis of the water content and pressure head scale parameters—for example, we did not discuss conversion between hvG and hBC—and parameters for the hydraulic conductivity. Additional indices pertaining to the cumulative pore-size and/or particle-size distribution functions would be useful for this purpose.


    ACKNOWLEDGMENTS
 
This study was partially supported by the European Union DGXII-Environment Program through funding of the project AgriBMPWater (EVK1-1999-00117).

Received for publication July 2, 2004.


    REFERENCES
 TOP
 ABSTRACT
 INTRODUCTION
 PARAMETRIC SHAPE INDEX
 CONVERSION EQUATIONS
 CONVERSION OF SHAPE PARAMETERS
 CONSTRAINED OPTIMIZATION
 CONCLUSIONS
 REFERENCES
 




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