2.1. Thermal Conductivity Measurement Database Used for Validation
For the validation, a total of 59 measurement series were used. The data are taken from various research projects in Germany of the Shallow Geothermal Energy Working Group from the Friedrich-Alexander-University Erlangen-Nuremberg. A measurement series is defined as a certain number of measurements (measurement points) of the thermal conductivity at specific moisture contents on a soil sample with a defined bulk density, grain size distribution, and measurement method.
The thermal conductivity measurements were performed exclusively with a single-needle sensor. The devices used and their measurement accuracy are listed in
Table 1. The configurations of the used single-needle sensors comply with the specifications according to IEEE Std 442-1981 [
37] and ASTM D5334 [
38].
The measurements were carried out using two different methods. These are described in
Table 2 and in
Figure 1.
For the evaporation method, oven drying and the measurement of thermal conductivity at a moisture content θ = 0% were not carried out for each sample. In the case of high implausible deviations of λ within one measurement series, the deviating measurement points were removed manually.
All soil samples were installed in the cylinders with volumes of 397 cm
3 or 944 cm
3 with a specific bulk density using undisturbed sampling. Possible changes in bulk density due to shrinkage and swelling processes during the evaporation method [
18,
39] were neglected for validation. These changes in density are responsible for the fact that the maximum thermal conductivity in the evaporation method is sometimes not reached at saturation, but rather at an intermediate moisture content. In the case of slightly fluctuating bulk densities in measurement series measured using the punctual method, the average bulk density was assumed for validation. The individual bulk densities deviate from the mean value by a maximum of 0.04 g/cm
3.
Due to the different methods or measurement intervals used, the number of measurement points per measurement series varies. However, for the validation, each measurement series was considered equally for authentication, independent of the number of measurement points.
As the measurement series originate from various research projects, the soil samples were taken from different locations in Germany; therefore, a wide range of soil texture classes was covered for the validation (
Figure 2). Therefore, only the USDA soil texture classes sandy clay and silt were not considered for the validation. Very occasionally, the soil samples considered are mixed samples, topsoil samples, or anthropogenically influenced soils.
A statistical evaluation of the database regarding the decisive soil parameters is shown in the
Table 3.
2.2. Approach for Validation of Selected Empirical Literature Models
For the validation, the focus was on two key indicators that demonstrate the match between the thermal conductivities calculated using the literature models and the measured values. Therefore, the RMSE (root mean square error) and the bias value were used as follows:
The RMSE corresponds to the absolute error or deviation. Squaring the deviation prevents positive and negative deviations from neutralizing each other. The bias value corresponds to an average deviation. Here, positive and negative deviations neutralize each other; thus, a negative value indicates that a literature model underestimates the thermal conductivity, on average, compared to measured values. A positive value indicates an overestimation.
For the validation, the RMSE and the bias values were determined for each measurement series based on their measurement points (n). The values of both key indicators were then averaged for all measurement series. As a result, the measurement series were considered equivalent, regardless of their number of measurement points.
For the overall analysis, all measurement series were considered regardless of any soil properties. In addition, for the development of a practicable guideline, the measurement series were divided into two categories according to their grain size distribution, specifically their sand content (f
sand). The subdivision was based on the work of Kersten [
25]. A distinction was made between clay and silt soils, with a sand content f
Sand ≤ 50%, and sandy soils, with f
Sand > 50% (
Table 4). Furthermore, the validation of the two soil texture categories was also carried out regarding the moisture content. For this differentiation, only measurement points in the measurement series with saturation degrees S
r ≤ 0.5 were considered for dry conditions. For moist conditions, only measurement points with S
r > 0.5 were used. The calculation of the saturation is described in Equation (4).
To ensure comparability, measuring points in the very dry range were not included in the validation, in accordance with the validity limits of the model suggested by Kersten [
25]. Therefore, for clay and silty soils, only the measured values with a gravimetric water content w ≥ 7% were used, and for sandy soils, only the measured values with w ≥ 1% were employed. As a result, in some cases the number of measuring points described in
Table 2 was reduced.
As the aim was to develop a practical guideline for the use of literature models for calculating thermal conductivity, the evaluation focused mainly on the models showing the smallest deviations from the measured values.
2.3. Validated Models for Calculating Thermal Conductivity
The basic principle for the selection of the calculation models was that not more than the basic soil input parameters of grain size distribution, bulk density, and moisture content must be known, or the parameters derived from and the equations will not contain any free parameters. The selection was based on the models used by Wessolek et al. [
34].
From the basic input parameters, the porosity (Φ) and saturation (S
r) were calculated as follows, assuming a particle density (ρ
p) of 2.65 g/cm
3:
Φ = porosity [-]
ρb = bulk density [g/cm3]
ρ
p = particle density [g/cm
3]
Sr = saturation [-]
θ = volumetric water content or moisture content [-]
In some cases, the calculated maximum saturation of a measurement series can be greater than 1.0, e.g., due to a deviating particle density or swelling processes within the course of the evaporation method. In these cases, the maximum measured volumetric water content of the measurement series is set as the porosity.
Various models differentiate between fine and sandy soils. Unless otherwise stated, fine-grained soils were defined with a sand content of ≤50%.
The quartz content is calculated according to the method of Hu et al. [
41]:
q = quartz content [-]
fsand = sand content [-]
For the validation, the Python programming language (Python Software Foundation, v3.11) was used. The script can be downloaded at
https://github.com/wehnsdaefflae/fusl (accessed on 16 April 2024).
In the following section, the selected models are described in detail.
2.3.1. Kersten (1949) Model
With the model proposed by Kersten [
25], for the calculation of the thermal conductivity, only the parameters of bulk density and gravimetric water content are required. Furthermore, the soils are divided into two categories, depending on their sand content (fine textured soils with f
Sand ≤ 50% and granular soils with f
Sand > 50%). Thus, the knowledge of the exact grain size distribution is not required.
In the work of Kersten [
25], the equations are given in imperial units. Farouki [
14] has rewritten these with a conversion factor for metric units.
For fine-grained soils, the thermal conductivity for w ≥ 7% is calculated as follows:
λ = thermal conductivity [W/(m∙K)]
w = gravimetric water content [%]
Thermal conductivity is calculated as follows for granular soils of w ≤ 1%:
2.3.2. Johansen (1975) Model
Johansen [
35,
36] proposed a new model for calculating the λ of partial saturated soils as a function of the thermal conductivity in both the dry and saturated state. The thermal conductivity between these is interpolated using the degree of saturation and a normalized thermal conductivity (Kersten’s number):
λsat = thermal conductivity of saturated soil [W/(m∙K)]
λdry = thermal conductivity of dry soil [W/(m∙K)]
Ke = Kersten’s number [-]
For coarse soils, which are defined by f
Clay ≤ 5%, the Kersten’s number can be calculated for S
r > 0.05, as follows:
In this study, Ke = 0 was assumed when Sr < 0.05.
For fine soils, which are defined by f
Clay > 5%, Ke can be calculated for the range where S
r > 0.1, as follows:
In the case of Sr < 0.1, in this study, Ke = 0 was assumed.
The calculation of the thermal conductivity of saturated and dry soils is described in Equations (11)–(13). Johansen [
35] assumed a value of 0.57 W/(m∙K) for the thermal conductivity of water. The thermal conductivity of quartz is assumed to be 7.7 W/(m∙K). The remaining solid components have a thermal conductivity of 2.0 W/(m∙K). For quartz contents lower than 20%, a thermal conductivity of 3.0 W/(m∙K) is set for the remaining components.
λw = thermal conductivity of water [0.57 W/(m∙K)]
λs = thermal conductivity of solid particles [W/(m∙K)]
λq = thermal conductivity of quartz [7.7 W/(m∙K)]
λo = thermal conductivity of solid particles [2.0 or 3.0 W/(m∙K)]
ρp = particle density [2700 kg/m3]
2.3.3. Brakelmann (1984) Model
The model of Brakelmann [
10] is based on experimental results. The thermal conductivity is calculated as follows:
λw = thermal conductivity of water [0.588 W/(m∙K)]
For the calculation of λ
s, the approach described in Wessolek et al. [
34] is used in this study:
fsilt = silt content [%]
fclay = clay content [%]
2.3.4. Ewen and Thomas (1987) Model
Based on the Johansen (1975) model, Ewen and Thomas [
23] proposed a new approach for calculation of Kersten’s number. The original Kersten’s number, according to Johansen [
35], cannot be applied for dry soils. In the approach of Ewen and Thomas [
23], this was changed using Equation (16), and a new parameter with the value of −8.9 was obtained:
ξ = fitted parameter of Ewen and Thomas (1987) model [−8.9]
The further calculation steps correspond to those of the Johansen (1975) model, as shown in Equations (8) and (11)–(13). For Equation (12), a value of 2.0 W/(m∙K) is used for the thermal conductivity of all minerals other than quartz.
Markle et al. [
28] expanded the Ewen and Thomas (1987) model and used ξ as a fitting parameter. However, this model was not considered for validation, as it contains a free parameter.
2.3.5. Hu et al. (2001) Model
With the approach of Hu et al. [
24], the thermal conductivity of unconsolidated porous media is calculated based on the Johansen (1975) model and the Leverett–Lewis equation for the relationship of capillary pressure saturation.
The thermal conductivity is calculated with Equation (8). Ke is determined using a new approach:
In the work of Hu et al. [
24], λ
dry and λ
sat were measured. In this study, Equations (11) and (13) were used for the calculation, with a thermal conductivity of water of 0.6 W/(m∙K) and of solid particles of 3.35 W/(m∙K), following the method of He et al. [
32].
2.3.6. Côté and Konrad (2005) Model
According to the approach by Côté and Konrad [
21], λ and the saturated thermal conductivity are calculated based on the Johansen (1975) model, using Equation (8) and (11). For the thermal conductivity of water, a value of 0.6 W/(m∙K) is assumed here.
Instead of calculating the thermal conductivity of the solid particles, the values for different material are taken from
Table 5.
A new equation for the calculation of Kersten’s number was introduced (Equation (18)). The soil texture dependent parameter κ can be taken from
Table 6.
κ = parameter from the Côte and Konrad (2005) model [-]
The calculation of the thermal conductivity of dry soils is also based on two new parameters, whose values can be taken from
Table 7:
χ = parameter from Côte and Konrad (2005) model [-]
η = parameter from Côte and Konrad (2005) model [-]
2.3.7. Yang et al. (2005) Model
The model by Yang et al. [
30] is also based on the Johansen (1975) model, using Equations (8), (11), and (12), with a value of 0.5 W/(m∙K) for λ
w and 2.0 W/(m∙K) for λ
o. The equation for the calculation of the thermal conductivity of dry soils (Equation (20)) is a modification of Equation (13). The coefficient was originally set to 0.135 by Peters-Lidard et al. [
42] and was adopted in this model.
ρp = particle density [2700 kg/m3]
The Kersten’s number is calculated as follows:
kT = parameter from the Yang et al. (2005) model [0.36]
2.3.8. Lu et al. (2014) Model
The model of Lu et al. [
26] expresses the nonlinear relationship between thermal conductivity, moisture content, soil texture, and bulk density, introducing the parameters α and β:
α = parameter of Lu et al. (2014) model [-]
β = parameter of Lu et al. (2014) model [-]
2.3.9. Markert et al. (2017) Model
Markert et al. [
27] proposed a model based on the approach of Lu et al. [
26], using Equation (22) and replacing the coefficients of Equations (23)–(25) with parameters that depend on soil texture:
p1–8 = parameter from the Markert et al. (2017) model [-]
The values for p
1–8 are listed in
Table 8. For the sub-models “u + p”, “u”, and “p”, a subdivision of three soil texture groups must be carried out. The “Sand” group is defined in Equation (29), and the “Silt” group in Equation (30). All soils which do not belong to the texture groups “Sand” or “Silt” correspond to the texture group “Loam”.
2.4. Overview of Input Parameters Required for Validated Models
The diversity of the models, highlighting their reliance on different soil properties as input parameters, is shown in
Table 9.
The water content and bulk density are required for each selected model. The quartz content, porosity, and acordingly, the saturation parameters, can be derived from the basic input parameters (Equations (3)–(5)).
With the approach of the Hu et al. (2001) model chosen in this study and the assumptions made, no knowledge of grain size distribution is required. However, for the Côté and Konrad (2005) model, this parameter must be known at least sufficiently to categorize the material as shown in
Table 6. The Kersten (1949) model can be used without further derived parameters to calculate the thermal conductivity based on a rough estimate of the sand content (≤50% or >50%), so the exact grain size distribution is not required. For the other models, the grain size distribution—at least the exact sand content—must be known to perform the thermal conductivity calculation.