Examensarbete TVVR 12/5020 Modeling of solute transport in the unsaturated zone using HYDRUS-1D Effects of hysteresis and temporal variabilty in meteorological input data ___________________________________________________________________ Alan Saifadeen Ruslana Gladnyeva Division of Water Resources Engineering Department of Building and Environmental Technology Lund University Avdelningen för Teknisk Vattenresurslära TVVR-12/5020 ISSN-1101-9824 Modeling of solute transport in the unsaturated zone using HYDRUS-1D Effects of hysteresis and temporal variabilty in meteorological input data Alan Saifadeen Ruslana Gladnyeva I Abstract During the last several decades, the study of the movement of water and solutes in the unsaturated zone has become an issue of great significance due to profound effects of the physical and chemical processes occurring in this zone on the quality of both surface and subsurface waters. It is generally known that the precipitation and evaporation are the dominant controls on solutes transport into surface and ground waters. In this study, a general methodology has been developed to evaluate the effect of soil water hysteresis, and temporal variability in precipitation and evaporation input data on the transport of solutes in soils. To achieve this goal, three objective functions were investigated, movement of center of mass of solutes, masses into groundwater, and depth to a limit concentration. A one-dimensional unsaturated transport model was used to simulate non-reactive transport of solutes. Simulations were conducted in HYDRUS-1D code using measured precipitation data for the period 1996-2008 and potential evapotranspiration for three different geographic locations in Sweden (South, Middle, and North). In each location three different soil profiles (each 250 cm deep) were chosen. Modeling with HYDRUS-1D was performed using the period 1st of March -25th of September as simulation period. Simulations were run for the cases with and without hysteresis for all three sites with different temporal variability of precipitation and evaporation input data. First, half-hourly precipitation and evaporation data were applied to simulate in the model, then hourly, 2 hours, 4 hours, and finally 24 hours. The results show that under nonhysteretic water flow solute migration is faster which in turn means an overestimation of the solute velocity. Analysis of the downward migration of the solutes indicates that the effect of hysteresis is more pronounced in the coarse textured soils.Results of the simulations also show that during study period, with the measured precipitation input data, there are small amounts of solutes leached into the groundwater. It is also found that the downward migration of solutes is deeper in Petisträsk compared to the other two sites. On the other hand, the transport of solutes in Norrköping is the slowest among the selected sites. The simulations show that a lower temporal resolution of the meteorlogical input data increases both underestimation of the downward movement of the solutes for non-hysteretic simulations and overestimation for hysteretic ones. Meanwhile, in most cases, this overestimation and underestimation rises with increasing hydraulic conductivity of the soil. Finally, the analysis of the results displays that the differences between hysteretic and non-hysteretic simulations are negligible when using daily input data. Consequently, we may recommend disregarding the effect of hysteresis when using daily input data. Key words: HYDRUS-1D; Unsaturated zone; Soil water hysteresis; Solute transport; Temporal variability in precipitation. II List of abbreviations and acronyms 1D One dimensional 3D Three dimensional BC Boundary condition CDE Advection-dispersion equation COM Centre of mass E Evaporation ET Evapotranspiration GL Ground level GW Groundwater LC Limit concentration P Precipitation R2 Coefficient of determination in the simple linear regression SMHI Swedish Meteorological and Hydrological Institute WT Water table level III Acknowledgements This study was made within the HYDROIMPACTS 2.0 project, financed by FORMAS. Rainfall data was supplied by SMHI. Thank you. We would also like to express sincere gratitude to our supervisor professor Magnus Persson for overall guidance and kind of support during the work with the thesis, especially for his help in creating the mathlab codes for averaging the meteorological data and center of mass calculations. Thanks to professor Cintia Bertacchi Uvo, the examiner of the thesis, for her valuable suggestions and comments about this work. Finally our thanks and gratitutes go to our families and friends for their support and endless encouragement. IV Contents Abstract .............................................................................................................................................................. I List of abbreviations and acronyms................................................................................................................... II Acknowledgements .......................................................................................................................................... III 1 2 Introduction ............................................................................................................................................... 1 1.1 Background ........................................................................................................................................ 1 1.2 Objectives .......................................................................................................................................... 2 1.3 Study area .......................................................................................................................................... 2 Background Theory.................................................................................................................................... 5 2.1 Water Flow in Unsaturated Zone ...................................................................................................... 6 2.1.1 2.2 Soil properties and unsaturated water flow ..................................................................................... 8 2.2.1 Soil moisture characteristics...................................................................................................... 9 2.2.2 Hydraulic conductivity ............................................................................................................. 11 2.2.3 Hysteresis in soil hydraulic properties..................................................................................... 12 2.3 3 Flow in single-porosity system .................................................................................................. 7 Solute transport............................................................................................................................... 14 Materials and methods ........................................................................................................................... 15 3.1 Introduction to HYDRUS-1D ............................................................................................................ 15 3.2 HYDRUS-1D model development .................................................................................................... 15 3.2.1 Input data ................................................................................................................................ 15 3.2.1.1 Meteorological data ............................................................................................................ 15 3.2.1.2 Soil hydraulic properties ...................................................................................................... 17 3.2.1.3 Contaminant sources........................................................................................................... 17 3.2.2 Geometry information............................................................................................................. 19 3.2.3 Time information ..................................................................................................................... 19 3.2.4 Water flow ............................................................................................................................... 20 3.2.4.1 Soil hydraulic property model ............................................................................................. 20 3.2.4.2 Soil hydraulic parameters .................................................................................................... 21 3.2.4.3 Flow boundary conditions ................................................................................................... 22 3.2.5 Solutes transport ..................................................................................................................... 23 3.2.5.1 General information ............................................................................................................ 23 3.2.5.2 Solute transport parameters ............................................................................................... 23 V 3.2.5.3 3.2.6 Outputs .................................................................................................................................... 25 3.2.7 Model limitations .................................................................................................................... 25 3.3 4 Solute transport boundary conditions ................................................................................ 24 Data analysis .................................................................................................................................... 26 Results and discussion ............................................................................................................................. 27 4.1 Simulation scenarios........................................................................................................................ 27 4.1.1 Effect of hysteresis .................................................................................................................. 27 4.1.1.1 Malmö ................................................................................................................................. 27 4.1.1.2 Norrköping ........................................................................................................................... 33 4.1.1.3 Petisträsk ............................................................................................................................. 37 4.1.1.4 Effect of time resolution of the meteorological input data on hysteresis .......................... 40 4.1.2 Effect of Temporal variability in rainfall and evaporation....................................................... 42 4.1.3 Effect of geographic location................................................................................................... 47 5 Conclusions .............................................................................................................................................. 49 6 Recommendations and future work........................................................................................................ 51 References ....................................................................................................................................................... 52 Appendices ...................................................................................................................................................... 54 Appendix A. Matlab codes for averaging the pecipitation .......................................................................... 54 Appendix B. Matlab codes for averaging potential evapotranspiration ..................................................... 57 Appendix C. Calculation of contaminant concentrations ............................................................................ 64 Appendix D. Finding the centre of mass in a 101 vector of concentration values depth ........................... 65 Appendix E. Grapghs to the depth of centre of mass, mass into groundwater,and depth to limit concentration against measured precipiations for all soils in Malmö, Norrköping, and Petisträsk with half hourly, 4-hourly, and daily meteoroligical input data ................................................................................. 66 1 1 Introduction 1.1 Background The zone between ground surface and groundwater table is defined as the unsaturated zone or the vadose zone which contains in addition to solid soil particles, air and water. The unsaturated zone acts as a filter for the aquifers by removing unwanted substances that might come from the ground surface such as hazardous wastes, fertilizers and pesticides. This is, could be attributed to the high contents of organic matters and clay, which motivates biological degradation, transformation of contaminants and sorption. Therefore, the vadose can be considered as a buffer zone protecting the groundwater. Thus, the hydrogeological properties of this zone are of great concern for the groundwater pollution (Selker, et al., 1999, Stephens, 1996). Many chemical and physical processes occur in the soil horizon. These processes are attributed to different soil phases, due to the existence of solid particles, water and air. In order to be able to model water and solute transport in the unsaturated zone and provide acceptable outputs concerning water and solute solution profiles, it is required to make some simplifications and assumptions due to the heterogeneous and complex nature of soil (Selker, et al., 1999). From hydrologic point of view, the transmission of water to aquifers, water on the surface, and atmosphere is greatly controlled by the processes in unsaturated zone. For these reasons the study and modeling of water flow and solutes transport in the unsaturated zone is becoming an issue of major concern,generally, in terms of water resources planning and management, and especially in terms of water quality management and groundwater contamination (Rumynin, 2011). A large number of models have been developed during the past several decades to evaluate the the computations of water flow and solute transfer in the vadose zone. In general, they are either analytical or numerical models for predicting water and solute movement between the soil surface and the groundwater table. Amongst the most commonly used ones are the Richards equation for variably saturated flow, and the Fickian-based convection-dispersion equation (CDE) for solute transport (Šimůnek, et al., 2009). These two equations are solved numerically using finite difference or finite element methods (Arampatzis, et al., 2001, Šimůnek, et al., 2009), which requires an iterative implicit technique (Damodhara Rao, et al., 2006). HYDRUS is one of the computer codes which simulating water, heat, and solutes transport in one, two, and three dimensional variably saturated porous media on the basis of the finite 2 element method. The Richards’s equation for variably-saturated water flow and advection-dispersion type equations (CDE) for heat and solute transport are solved deterministically (Šimůnek, et al., 2009). In this study, HYDRUS-1D version 4.14 is used as a tool to simulate water and solute movement in the vadose zone to develop our understanding of downward movement of solutes under variable boundary conditions. The software is originaly developed and released by the United States. Salinity Laboratory in cooperation with the International Groundwater Modeling Center (IGWMC), the University of California Riverside, and PC-Progress, Inc. 1.2 Objectives The main aim of this research is to study water flow and solutes transport in the vadose zone in Sweden through investigating downward movement of the centre of mass of solutes and general patterns of concentration profiles. Specific objectives were set to achieve this goal, amongst which: Identifying the effect of hysteresis on the movement of solutes for different kinds of soils in different geographic locations throughout Sweden; Examination of temporal variability in precipitation and implications of precipitation patterns on the downward movement of solutes in different types of soils in different geographic locations throughout Sweden. 1.3 Study area The study area is three sites Petisträsk, Norrköping and Malmö which are located in north-west, middlewest and south-east of Sweden, see Figure 1.1. The sites were chosen in different parts of Sweden to investigate the solute transport under different climatic conditions. Stochastic variability of precipitation is an important factor controlling temporal variability of the temporal patterns of solute movement in vadose zone. This in turn, determined by hydrologic filtering of precipitation variability in infiltration, storage, drainage and evapotranspiration (Harman, et al., 2011). For each site the half-hourly measured precipitation data were obtained form SMHI weather stations and potential evapotranspiration was given as monthly data (Eriksson, 1981). The data were recorded during 13 years (1996-2008). 3 Generally speaking about patterns of precipitation in Sweden, the summer is considered to be the season when the most rainfall occurs. However the period from October to December is characterized by numerous days with continuous rain, while the larger amount of rainfall falls in the summer and this is due to great intensities of summer rainfalls (Raab and Vedin, 1995). Petisträsk C Approximate distribution of precipitation during the years 1961-1990 for the study sites is shown on the Figure 1.2. As data for Malmö, Norrköping and Petisträsk was not available, data from the closest weather stations: Lund, Linköping and Umeå is used. Mean annual precipitation for the period 1961-1990, for Lund (Malmö) is 655 mm, for Linköping (Norrköping) is 516 mm and for Umeå (Petisträsk) is 650 mm. While mean annual Norrköping B evapotranspiration for the period 1961-1990, for Lund (Malmö) is 500 mm, for Linköping (Norrköping) is 500 mm and for Umeå (Petisträsk) is 350 mm (Raab and Malmö Figure 1.1: Map of Sweden with indicated study sites (Google_maps, 2012) Vedin, 1995). 4 b a c Figure 1.2: Distribution of precipitation over the year for Lund (a), Linköping (b) and Umeå (c). Mean values 1961-1990. Deep blue is rain and light blue is snow (Raab and Vedin, 1995). 5 2 Background Theory Naturally surface water reaches groundwater in form of precipitation that fall down to the ground surface but also could be more artificial forms, for instance, irrigation, surface runoff, stream flow, lakes. Rainfall or irrigation may infiltrates to groundwater if their intensity is larger than the infiltration capacity of the soil (the maximum rate at which water absorbed by soil). Some precipitation or irrigation water may be intercepted by vegetation and then return to the atmosphere as evaporation from leave surfaces. Some infiltrated water may be taken up by plant roots and then given back to atmosphere as transpiration via leaves. The water that has not been lost through evapotranspiration (evaporation plus transpiration) has a chance to percolate downwards to a deeper vadose zone and eventually reach the groundwater table or saturated zone. If the groundwater table is shallow then groundwater may move upward to the root zone by vapor diffusion and by capillary rise. A schematic representation of the unsaturated zone is shown in Figure 2.1. Figure 2.1 Schematic of water fluxes and various hydrologic components in the vadose zone (Simunek and Genuchten, 2006). Infiltration is considered to be an extremely complex process. It is a function of not only soil hydro physical properties (soil water retention and hydraulic conductivity) and rainfall characteristics (intensity and duration) but also controlled by initial water content, surface sealing and crusting, vegetation cover and ionic composition of infiltrated water. Solute infiltration occurs in vadose zone or unsaturated zone or zone of aeration. In this zone pores usually are partially saturated with water, and those ones which are not filled with water filled with air instead. However in vadose zone may exist some saturated zones, for 6 instance, perched water above impermeable soil layer (Simunek and Genuchten, 2006). Vadose zone play incredibly important role in water and solute transport, because it functioning as: a storage medium, where biosphere has immediate access; a buffer zone, which controls and could prevent transport of contaminants downward to ground water; a living environment, where varies physical and chemical processes take place, which can isolate and slowdown exchange of contaminants with other environments (Nimmo, 2006). 2.1 Water Flow in Unsaturated Zone Water flow in vadoze zone is usually described by a combination of continuity equation 2.1and Darcy– Buckingham eq.2.3,. The continuity equation 2.1 states that change in water content in a given volume of soil, because of spatial changes in water fluxes and possible sources and sinks within that volume of soil: 2.1 Where θ is the volumetric water content, [L3L−3], t is time [T], q is the volumetric flux density [LT−1], zi is the spatial coordinate [L], and S is a general sink orsource term [L3L−3T−1], for example, root water uptake. Darcy (1856) made an experiment on the seepage of water through a pipe filled with sand. He proved that the flow rate Q through pipe filled with a sand was directly proportional to its cross-sectional area A and to the difference of hydraulic head h across the layer, and inversely proportional to the length of the pipe: 2.2 Where coefficient of proportionality K is a hydraulic conductivity, [LT-1]. Firstly Darcy’s law was implemented to the partly saturated flow by Buckingham (1907) and he found that in this case the hydraulic conductivity is a function of water content K=K(θ). This means that a small decrease in θ leads to a significant decrease in K. That is why for many soils the difference between hydraulic conductivities below and above water table might be great. Normally it is assumed that unsaturated flow has virtually vertical direction in contrast to saturated flow below the water table, which usually is horizontal or in parallel to impervious layers. This because at interface, where soils with different hydraulic conductivities are meet “streamlines exhibit a pronounced refraction” (Brutsaert, 2005). Darcy’s law was developed for an unsaturated medium: 7 2.3 Where h is hydraulic head and defined as: 2.4 Combination of equations 2.3 and 2.1 and is called Richards’ equation and it describes vertical downward movement of water in unsaturated zone 2.5 Where H is soil water pressure head relative to atmospheric pressure (H ≤ 0). Richards’ equation is partially differential and highly non-linear as θ-H-K has a non-linear relationship in nature, which also indicates its strongly physically based origin. Moreover boundary conditions at a soil surface are changing irregularly. That is why it might be solved analytically only for limited boundary conditions. If relationships between θ-H-K are known, numerical solutions may solve the equation for various top boundary conditions (Dam, et al., 2004). In this study solute transport was numerically simulated by HYDRUS-1D. The software uses modified Richards’ equation (2.6) and describes infiltration in vadose zone and modeling it as one dimensional vertical flow. 2.6 Where H is the water pressure head [L], α is the angle between the flow direction and the vertical axis (i.e., α = 00 for vertical flow, 900 for horizontal flow, and 00 < α < 900 for inclined flow), and K is the unsaturated hydraulic conductivity [LT-1] given by (Simunek, et al., 2005). 2.7 where Kr is the relative hydraulic conductivity [-] and Ks the saturated hydraulic conductivity [LT-1]. 2.1.1 Flow in single-porosity system Water and solute movement in unsaturated zone was simulated by HYDRUS-1D using simple single porosity flow model (Figure 2.2). Single porosity model describes uniform flow in porous media while the other models are applied to simulate preferential flow or transport. In this case Richards’ equation and Fickianbased convection-dispersion equation for solute transport are solved for the entire flow domain. 8 Figure 2.2: Conceptual physical equilibrium model for water flow and solute transport in a single-porosity system (Simunek et al., 2005). 2.2 Soil properties and unsaturated water flow Soil is a three-phase system; it consists of solid, liquid and gaseous phases which are distributed spatially. Solute movement in between these phases is controlled by physical, chemical and biological processes. Vadose zone is bounded by soil surface and joins with groundwater in capillary fringe. The main forces which are responsible for holding water in a soil are capillary and adsorptive forces. Water and its chemical content are changing because of infiltration of precipitation or irrigation, water uptake by plants and evaporation from soil surface (Parlange, et al., 2006). Porosity of a soil [L3L-3] might be expressed as: 2.8 Where pb is a bulk density of the soil and ps is soil’s particle density. From eq. 2.8 it is seen that soil porosity decreases when bulk density increases. Soil water content may be defined by mass, eq. 2.9, or by volume, eq. 2.10, but usually for numerous hydrological applications it is used in non-dimensional form, i.e. eq. 2.10 2.9 2.10 Where, , Vw - water volume,[ L3] Vt - solid volume, [L3], w is defined as the mass water content and ρw is the specific density of water, ρw≈1 g/cm3 Soil water content can be also expressed by the degree of saturation S [−], 9 2.11 The volumetric water content varies between 0 for dry soil to the saturated water content θs, which supposed to be equal to the porosity if the soil were completely saturated. The degree of saturation ranges between one (soil completely filled with water) to zero (completely dry soil). By replacing porosity by θs and subtracting residual water content θr in eq.2.11, effective saturation Se has been obtained. 2.12 By the way effective saturated water content normally does not reach 100% saturation of the pore space, due to air invasion (Parlange, et al., 2006). 2.2.1 Soil moisture characteristics The relationship between soil water suction , H, and the amount of water remaining in the soil or volumetric soil content (θ) resulting in function known as the moisture characteristic or retention curve in case of drying soil. It describes soil’s ability to retain or release water. Figure 2.3 illustrates that the shape of the curve is connected with pore size distribution (Bouma, 1977). For sand the shape of the retention curve has a step form, for clay the retention curve, on the contrary, has a quite steep form. The mechanism of water retention differs with suction. Suction usually expressed by the soil water matric head (strictly negative) or soil suction (strictly positive). If suction is very low (higher moisture contents) water retention depends on capillary surface tension effects, and the last depends on pore size and soil structure (i.e. the aggregation of solid particles in soil). If suctions are higher (lower moisture contents) water retention influenced mainly adsorption, which depends on soil texture (i.e. the size distribution of solid particles in soil) and specific surface (i.e. surface area per unit of volume) of material. Clay particles have large specific surface compared to sand, because they are smaller and more flattened, when sand particles are bigger and more round. Due to this, clay soils have more fine pores and large adsorption which allow them to have greater water content at a given suction rather than sand (Ward and Robinson, 2000b). 10 Figure 2.3: Soil moisture characteristics of different soil materials: 1-sand, 2-sandy loam, 3-silty clay loam, 4-clay (Bouma, 1977) One of the main limitations of using the retention curves is that the water content at a given suction depends not only on the value of that suction but also on moisture ‘history’ of the soil (Ward and Robinson, 2000b). The retentions curves will be different for drying and wetting soils: at a given matric pressure the water content for wetting soils will be less than for drying ones. Figure 2.4 shows typical example of hysteretic water retention in a soil. In HYDRUS-1D van Genuchten formula has been used to describe the water retention 2.13 Where, 2.14 2.15 And 2.16 11 θ(ψ) – soil water (retention), which is highly non-linear function of the pressure head, ψ;; θr and θs are residual and saturated volumetric water contents, respectively; n is empirical parameter related to the pore size distribution, that is reflected in the slope of water retention curve; α is an empirical parameter assumed to be related to the inverse of the air-entry suction, [L-1]; Se – effective saturation [-]; Ks –hydraulic conductivity at natural saturation, [LT-1 ](Simunek, et al., 2005). 2.2.2 Hydraulic conductivity Another important hydraulic soil property that describes soil water movement is the relation between the soil’s unsaturated hydraulic conductivity, K, and volumetric water content, θ. Hydraulic conductivity reflects the ability of porous medium to transfer the water. It may be expressed as: 2.17 Where k is intrinsic permeability; krw(θ) is relative water permeability (the ratio of the unsaturated to the saturated water permeability) that varies from 0 for completely dry soils to 1 for fully saturated soils; and μw is the water viscosity. Where k is intrinsic permeability; krw(θ) is relative water permeability (the ratio of the unsaturated to the saturated water permeability) that varies from 0 for completely dry soils to 1 for fully saturated soils; and μw is the water viscosity. Equation 2.17 demonstrates that hydraulic conductivity depends on size, shape of filled with water pores (Wang, 2009) and how they are connected between each other, the flowing fluid (μw and ρw ) and water content of the soil (krw(θ)). Hydraulic conductivity at or above saturation (h≥0) defined as hydraulic conductivity at natural saturation (Ks) (Simunek and Genuchten, 2006). Fullness of pores with water is defined by hysteresis or the history of the moisture state and its retention. Larger pores, which make greatest contribution to transfer water in soil, empty first when fluid content decreases. Left pores are smaller, and they have less ability to conduct water due to viscous frictions in them, which are much bigger compare to large pores. When fewer pores filled with water streamlines become more tortuous. Dry soil and small pores which are filled which in turn hindering the water flow as liquid transports through poorly conductive pore medium and it is simply adhering in form of films to soil particle. These factors reduce hydraulic conductivity greatly when soil goes from saturated to field-dry conditions. Other factors could also influence K, for instance, temperature as it affects fluid viscosity, microorganisms may reduce K, by constricting the pores (Nimmo, 2006). 12 All previous means that the relation between K and θ is also a function of water and soil matrix properties, as well as relation between θ and H, and is strongly affected by water content and by hysteresis (Parlange, et al., 2006). 2.2.3 Hysteresis in soil hydraulic properties A lot of studies were conducted recently to investigate the affect of hysteresis and many of them showed that hysteresis has an effect on unsaturated soil water movement and solute transport (Russo, et al., 1989, Yang, et al., 2012, Lehmann, et al., 1998, Kool and Parker, 1987) as well as disregarding hysteresis might leads to significant errors in prediction of solute movement and contaminant concentrations (Kool and Parker, 1987). The main factors which affect hysteresis are the complexity of the pore space geometry, the presence of entrapped air, shrinking and swelling and the thermal gradients. There are many mechanisms by wich hysteresis is propagated but the main ones are considered to be ‘ink bottle’ and ‘contact angle’ effects (Ward and Robinson, 2000a). ‘ink bottle effect’ implies that water drains the pore at a larger suction as larger suction is needed to enable the air to enter the narrow pore neck, than for filling the pore with water, as it is controlled by the lower curvature of the air-water interface in the wider pore itself. The ‘contact angle’ affect implies that the contact angle of the solute interfaces is probably to be larger when the interface is advancing (wetting) than when it is receding (drying), so at a water content the suction will be greater for drying rather than for wetting (Ward and Robinson, 2000a). However it is might be assumed that the contact angle is something that is not very understood as it is very difficult to measure (Nimmo, 2006). The entrapped air affects. Some amount of air normally gets trapped in the form of bubbles enclosed by water, normally occupying approximately 10-30% of pore space. Thus maximum water content will be 70-90% of the total porosity when soil is drying. Though sometimes it could increase over time and become equal to porosity, because the soil might be saturated enough for all the air bubbles to dissolve (Nimmo, 2006). Swelling and shrinkage. Wetting and drying maybe accompanied by swelling and shrinkage for fine grained clays (Ward and Robinson, 2000a). This will lead to the changes in the pores geometry and bulk density of the medium so the water content will be different of the one prior to the swelling or shrinkage. As water is drained from the pores between flattened particles, the particles alignment 13 will become tighter and this will reduce the total volume. One may think that re-wetting may return particles on their original places but this not necessary so; resulting in a lower water content (Ward and Robinson, 2000a). Thermal affects. Temperature affects the tension so it will have a great affect on retention relation. Increase of temperature means that less water will be held at a given matric pressure (Nimmo, 2006). All this prove that hysteresis is incredibly complex phenomena and many might neglect it for this reason. As it have been mentioned before the moisture characteristics curves are different for drying and wetting curves. The main drying curve describes the drying from the highest reproducible saturation degree to the residual water saturation. And the main wetting curve describes the wetting from the residual water content to the highest degree of saturation. Figure 2.4 shows a typical example of hysteretic water retention in a soil. Outer curves which start from very dry or wet conditions are called main drying or main wetting curves. Starting from a boundary wetting or drying curve, a sequence of wetting and drying cycles can be expressed by wetting and drying scanning curves (Lehmann, et al., 1998). Drying Wetting Figure 2.4: Hysteresis in the moisture characteristic (Bouma, 1977) HYDRUS-1D simulates hysteresis by empirical model introduced by Scott, et al. (1983)which assumes that drying scanning curves are scaled from the main drying curve and wetting scanning curves from the main wetting curve. Both curves are described by eq. 2.13 using the parameter vectors θrd, θsd, θmd, αd, nd and θrw, θsw, θmw, αw, nw, where w and d mean wetting and drying respectively. The following restrictions are expected to hold in the applications of HYDRUS-1D: 2.18 14 This means that θsd, αd ,θsw and αd are the only independent parameters for describing hysteresis in soil moisture characteristics curve. It might also be assumed that there is a little hysteresis in hydraulic conductivity, so Ksd=Ksw=Ks and , hence the hysteretic retention curve is described by the parameters: n, Ks, αd, θr, θsw. 2.3 Solute transport HYDRUS-1D uses advection-dispersion equation to simulate solute transport in unsaturated zone. For inert, non-adsorbing solutes during one-dimensional water flow it has a form of 2.19 Where D’=D(θ) is longitudinal dispersion coefficient. Combined solute and moisture transport equation will have a form 2.20 The majority of approximate solutions of the eq. 2.20 are based on the assumption that q and D near the front vary only slightly over the depth but are functions of time. In this case, the Eeq. 2.20 can be written as 2.21 The analytical solution of the advection–dispersion is 2.22 15 3 Materials and methods 3.1 Introduction to HYDRUS-1D HYDRUS-1D is a computer software package which may be used for simulating water, heat, and solutes movement in one-dimensional variably saturated porous media. It can be also used to simulate carbon dioxide and major ion solute movement. Basically, the Richardss equation for variably-saturated water flow and advection-dispersion type equations (CDE) for heat and solute transport are solved numerically. To account for variability in the soil properties, many modifications are made to the flow equation, such as, a sink term to account for water uptake by plant roots, and dual-porosity type flow or dual-permeability type flow to account for non-equilibrium flow. The program can deal with different water flow and solutes transport boundary conditions (Šimůnek, et al., 2009). In addition to HYDRUS computer code, the HYDRUS-1D software has an interactive graphics-based user interface module. Basically, the module consists of a project manager and a unit for pre processing and post processing. 3.2 HYDRUS-1D model development 3.2.1 Input data 3.2.1.1 Meteorological data Precipitation Precipitation and evapotranspiration during study period 1996-2008 were given as input for time variable boundary conditions in HYDRUS-1D. The meteorological data for all the three sites under investigations (Loddeköpinge, Norrköping, and Petisträsk) were obtained from Swedish Metrological and Hydrological Institute (SMHI). Initially rainfall data were given in half-hourly time resolution. In order to investigate the effect of time resolution of the input on the model, half-hourly input was converted into 1, 2, 4 and 24 h input. The conversion was done by averaging the data, for more details see Appendix A. Potential Evapotranspiration Evapotranspiration was given as monthly data. Monthly data can give only hourly average values during a day which cannot give a good picture of reality, as evapotranspiration varying during the day and the season. For this study it was built a model which allowed calculating hourly ET with consideration of its 16 diurnal variations (see Figure 3.1). The model was completed in a very simplified manner and it was assumed that: there is no ET during the night, 18:00 until 6:00; ½ of the diurnal ET was during 8 hours, between 6:00 and 10:00, and between 14:00 and 18:00; ½ of diurnal ET occurred during 4 hours between 10:00 and 14:00. Diurnal variation of ET, % 50 40 30 20 10 0 0 2 4 6 8 10 12 14 16 18 20 22 Hour of day Figure 3.1: Simplified model of a diurnal variation of evapotranspiration. In reality diurnal variations of ETn would probably have a look like in Figure 3.2; however, in terms of the study, which makes use of enormous amount of data, it was decided to simplify the curves, or in other words, to make the variation more even where it was possible, in order to ease the calculations. Figure 3.2: Penman-Monteith potential evapotranspiration as a function of time of day for (left) June and (right) December, calculated from hourly measurements at the Cefn-Brwyn automated weather station in the Wye catchment, 1992–1996. Black dots and lines indicate means and standard deviations (Kirchner, 2009). Conversion was done in an exact same way as for precipitation. The conversion codes for evapotranspiration and precipitation as well as diurnal variations of evaporation code were written in MATLAB, see Appendix B. 17 3.2.1.2 Soil hydraulic properties Investigation of coupled water and solute transport was done for different climatic conditions and for the soils with different physical properties. For this soil 1 (Persson and Berndtsson, 2002), soil 2 (Zhang, 1991) and soil 3 have been chosen which are considered to be good representatives of typical Swedish agricultural soils. Three 250 cm deep multi layered soil profiles were used as input data for HYDRUS-1D for 3 sites of interest (Table 3.1). Table 3.1: Soil properties for study sites Depth, cm Sand, % Silt, % Clay, % Bulk density, g/cm3 soil 1 0-20 80 16.5 3.5 1.53 20-45 78.8 18.3 2.9 1.55 45-70 84.3 11.8 3.9 1.55 >70 93.4 4.8 1.8 1.56 soil 2 0-20 68.0 27.2 4.8 1.48 20-150 58.15 32.99 8.86 1.48 >150 40.5 44.6 14.9 1.65 soil 3 0-120 59.0 25.6 15.4 1.45 120-150 36.9 32.8 30.3 1.50 >150 35.3 36.5 28.2 1.60 3.2.1.3 Contaminant sources The top 5 cm of soil with area 1 m2 with residual phase contamination extending to a depth of 2.5 m below ground surface was assumed to be contaminated with 100 g of non-volatile and non-reactive solute. 1m 1m Contaminant 5cm For the simulation of the solute transport by HYDRUS-1D the initial concentration in liquid phase (mass solute per volume of water) has been used as input to the model. The volume of water in 0.05 m 3 volume of dry soil was calculated from eq 2.10. 18 Volumetric water content for the soil was calculated according to van Genuchten formula, eq. 2.13. Van Genuchten hydrodynamic parameters θr and θs (Appendix C) were predicted by Hydrus-1D from the particle size distribution and bulk density of the soils (Table 3.1). Table 3.2: Soil hydraulic parameters obtained from Hydrus-1D, using the single porosity flow model Depth, cm θr (v/v) θs (v/v) α (1/m) n Ks (m/d) I 0.0388 0.372 0.0437 1.8178 5.01083 0.5 0.0341 0.3714 0.0383 1.4758 2.69542 0.5 0.0518 0.3974 0.021 1.4382 1.27167 0.5 Soil 1 0-20 Soil 2 0-20 Soil 3 0-120 Following the initial liquid phase concentrations were obtained for different soil types: Csoil 1=23.2 mg/cm3, Csoil 2 =13.5 mg/cm3 and Csoil 3=9.31 mg/cm3, see (Appendix C) Main processes As shown in Figure 3.3, the main process dialog window contains the processes that can be simulated in HYDRUS such as water flow, solute and heat transport, root water uptake, and root growth. Only water flow and general solute transport options were selected and simulated in this research. Figure 3.3: The main process dialog window (HYDRUS-1D 2009, user’s manual) 19 3.2.2 Geometry information In HYDRUS-1D geometry of model can be defined. First, the number of soil types, the total depth of soil profile, and length units can be set under the geometry information dialog box. Then, finite element model can be constructed by subdividing each region into linear elements by means of soil profile graphical editor or soil profile summary dialog windows. In this study, three different kinds of soil profiles were used; Soil 1, Soil 2, and Soil 3. The total depth of each soil profile is 250 cm, representing the average depth of the unsaturated zone in Sweden, see section 3.3.1. The finite element model was constructed by dividing the entire profile into 100 layers of the thickness of 2.5 cm. The detailed cross sections of one-dimensional models are shown in Figure 3.4. (a) (b) (c) Figure 3.4: shows cross-sections of the layered soils. (a) Soil 1 consists of four sub-layers. (b) Soil 2, consists of three sub-layers. (c) Soil 3, consists of three sub-layers. GL stands for ground level and WT stands for water table level. 3.2.3 Time information Under this section, time units, time discretization, and time-variable boundary conditions can be defined, see Figure 3.5. The unit of time was selected in hours and the period 1st of March -25th of September was used for simulation purposes (5000 hours). In HYDRUS-1D code, the maximum number of time variable records is 10000; therefore, 5000 hours are chosen as simulation period, which consequently means having 10000 records when using half hourly precipitation and evaporation input data. Meanwhile, the period 1st 20 of March -25th of September was selected due to the fact that a large amount of annual precipitation occurs in this period in Sweden. In addition, it is expected to have more infiltration because of unfrozen surfaces due to warmer weather, though the evaporation is higher during this period. Figure 3.5: Time information dialog window (HYDRUS-1D 2009, user’s manual) 3.2.4 Water flow 3.2.4.1 Soil hydraulic property model Within this command window, hydraulic model and hysteresis can be defined. There are various hydraulic models that can be used as shown in Figure 3.6. In this research, van Genuchten-Mualem single porosity model was selected, first with hysteresis, and then without hysteresis. 21 Figure 3.6: Soil hydraulic property model window (HYDRUS1D 2009, user’s manual) 3.2.4.2 Soil hydraulic parameters All the parameters needed for various soil hydraulic models are specified in this section, the water flow parameters dialog window is shown in Figure 3.7. The parameters needed are residual and saturated water contents, saturated hydraulic conductivity, pore connectivity parameter, and empirical coefficients Alpha and n. To predict the values of these parameters, HYDRUS-1D uses Rosetta DLL (Dynamically Linked Library), by Marcel Schaap (Šimůnek, et al., 2009). The Rosetta model can be used to estimate water retention parameters according to van Genuchten (1980), saturated hydraulic conductivity, and unsaturated hydraulic conductivity parameters according to van Genuchten (1980) and Mualem (1976). To achieve this, the model uses a database of measured water retention and other properties for a wide variety of media. For a given a medium’s particle-size distribution and other soil properties the model estimates a retention curve with good statistical comparability to known retention curves of other media with similar physical properties (Nimmo, 2006). As the model uses basic more easily measured data, it is considered as a pedotransfer function model (PTFs) (Schaap, et al., 2001). 22 Figure 3.7: Water flow parameters dialog window (HYDRUS-1D 2009, user’s manual) Percentage of sand, silt, and clay together with the bulk density for different soil layers were used to get values of all the parameters needed, see Table 3.1. 3.2.4.3 Flow boundary conditions Water flow boundary conditions are selected under this section. The window contains upper and lower boundaries. For 1D modeling purposes, it was assumed to have a constant pressure head at depth 250 cm (at the groundwater table) as a lower boundary condition and atmospheric boundary condition at the surface layer as an upper BC, see Figure 3.8. Figure 3.8: Water flow boundary conditions (HYDRUS1D 2009, user’s manual). 23 3.2.5 Solutes transport 3.2.5.1 General information Under this pre-processing submenu, solute transport model, time weighting scheme, space weighting scheme, and some other parameters can be defined. The dialog window is shown in Figure 3.9. Figure 3.9: Solute transport window (HYDRUS1D 2009, user’s manual). For simulation purposes, equilibrium solute transport model is selected with Crank-Nicholson as time weight scheme and Galerkin finite elements as space weight scheme. 3.2.5.2 Solute transport parameters Solute transport parameters needed are Bulk density, longitudinal dispersivity, dimensionless fraction of adsorption sites, and immobile water content which set equal to zero when physical non-equilibrium is not considered. In addition to these parameters, some Solute Specific Parameters are needed such as Molecular diffusion coefficient in free water and Molecular diffusion coefficient in soil air which both were set equal to zero (Figure 3.10). 24 Figure 3.10: Solute transport parameters ((HYDRUS1D 2009, user’s manual) 3.2.5.3 Solute transport boundary conditions For 1D modeling purposes, a concentration flux was used as an upper BC and Zero concentration gradient was assumed as a lower boundary condition with liquid phase concentrations as an initial condition. Figure 3.11 shows the detailed dialog window. Figure 3.11: Solute transport boundary conditions (HYDRUS1D 2009, user’s manual) 25 3.2.6 Outputs After HYDRUS-1D models have been prepared, simulations were performed to get the outputs. Generally, the HYDRUS code provides three different groups of output files, which are; T-level information, P-level information, and A-level information. Here, in this research, we made use of three different output files from these three groups, namely; NOD_INF.OUT file, which is from the P-level information group and used to find concentration profiles in the soil horizon at the end of the simulation period. Solute1.OUT file, this one is from the T-level information group and used to find the amount of solute leaching to the groundwater table at the end of the simulation period. T_LEVEL.OUT file, this file is also from the T-level information group and used to find the amount of net precipitation infiltrated to the soil. 3.2.7 Model limitations The study of the unsaturated zone is a complex work due to the heterogeneous nature of soil. Therefore, to be able to model movement of water and solutes, and in an attempt to achieve the aim and specific objectives of the study, some simplifications and limitations were made: Because of time limitations, only 13 years were simulated. In addition, the selected period for simulations (1st of March-25th of September) might not be the worst condition for downward migration of solutes in all the locations. It was assumed that the water-table is constant (250 cm below the ground surface) throughout the simulation period. The effect of root-water uptake was neglected. In order to make a comparison between the three selected sites concerning the effect of hysteresis and time resolution of precipitation and evaporation input data, the soil profiles were kept the same in all the sites. A one-dimensional vertical movement was assumed and simulated in the model, though threedimensional flow representing more correctly the reality. However, the one-dimensional vertical movement is the dominant direction of flow in the unsaturated zone, in a large-scale field condition it could be seen as a simplification of the reality. But one should be aware that one-dimensional flow overestimates concentrations comparing to tree-dimensional spreading. A single porosity model was used to describe the uniform flow in the unsaturated porous media which neglects both the variability in the soil properties, and non-equilibrium flow. 26 Estimation of water retention was done with statistically calibrated pedotransfer function The Rosetta model. However it predicts water retention for a given soil from database of measured water retention for variety of porous media that is why it difficult to say how good the prediction is. If one would like to be more exact, then water retention measurements are needed. Simulations were conducted for the non-reactive solute transport. This might be an overestimation of the real downward migration of solutes. The input precipitation and evaporation data is another factor of uncertainty, especially the downscaling of the evapotranspiration input data. 3.3 Data analysis Three objective functions were used to achieve the aims of this research:depth of the centre of mass of solutes, depth to a limit concentration, and the amount of solute masses leached into the groundwater. To investigate the changes in the two depths, the concentrations across soil profiles were extracted from HYDRUS NOD_INF.OUT file. Then a MATLAB code (Appendix D) was used to get the variations during study period (1996-2008) in these two depths across the soil profile. In addition, the masses to ground water were directly extracted from Solute1.OUT file. 27 4 Results and discussion 4.1 Simulation scenarios 4.1.1 Effect of hysteresis In this section the effect of hysteresis on the downward movement of solutes in the three chosen sites in Sweden is evaluated. Only the results of half hourly input data are displayed and discussed, but the graphs of all the other time resolutions can be found in Appendix E. 4.1.1.1 Malmö During study period (1996-2008) precipitation values vary between 243 mm and 577 mm in the selected period for simulations (1st of March-24th of September). The depth of COM against measured precipitations in all the three soil profiles (soil 1, soil 2, and soil 3), are displayed in three graphs (Figure 4.1). Red circular scatter dots represent the depth of COM when taking into account hysteresis, and the depth to COM in non-hysteretic water system is shown by the green triangular dots. It is obvious that the depth of COM is deeper when neglecting hysteresis in the soil water system in all the soil types. This is generally in agreement with a previous study conducted by Russo, et al. (1989), in which overestimated values of solute velocities have been noticed in transient flow models when neglecting hysteresis. Pickens and Gillham (1980) also reported that for “a hypothetical case involving onedimensional transport of slug of water containing a nonreactive tracer during an infiltration-redistribution sequence in a vertical sand column”, there is a lag in hysteretic concentration profiles compared to that of non-hysteretic case. This behavior could be due to the fact that under hysteretic conditions, only small changes in moisture content can be resulted from large changes in pressure head. In such a case, hysteretic simulations show slower changes than the non-hysteretic simulations (Bashir, et al., 2009). On the other hand, the trend line is steeper when ignoring hysteresis with higher R2 value, which refers to more rapid response to the precipitation increase and stronger linear relationship between solute movement and precipitation. Depth of COM vs. precipetationMalmö, 0.5h-soil 3 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 Depth of COM vs. precipetationMalmö, 0.5h-soil 2 1 y = 0.0143x - 0.2274 R² = 0.9231 y = 0.0117x - 0.1537 R² = 0.8549 Depth of COM (m) Depth of COM (m) 28 0.8 y = 0.0205x - 0.3663 R² = 0.9452 0.6 0.4 y = 0.015x - 0.2421 R² = 0.865 0.2 0 15 25 35 No hys Linear (No hys) 45 Prec. (cm) 55 15 65 With hys Linear (With hys) 25 35 No hys Linear (No hys) a Prec. (cm) 55 65 With hys Linear (With hys) b 2.0 Depth of COM (m) 45 Depth of COM vs. precipetationMalmö, 0.5h-soil 1 y = 0.036x - 0.573 R² = 0.8795 1.5 1.0 y = 0.03x - 0.4753 R² = 0.7948 0.5 0.0 15 25 35 45 55 65 Prec. (cm) No hys Linear (No hys) With hys Linear (With hys) c Figure 4.1: Depth of COM of solutes versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996-2008, for both non-hysteretic (green trangular dots) and hysteretic (red circular dots) models. The relationship between depth of COM and precipitation in a specific soil type does not depend only on the amount of precipitation. One might expect that precipitation pattern could be another important factor, for instance. However, to demonstrate quantitatively the effect of precipitation increase on the downward migration of solutes, the maximum and minimum precipitations are applied in the trend line equations to get the corresponding depths to COM in all the soils. The precipitation is increased by a factor of more than 2 during study period, with this increase, the depth of COM is increased by a factor of 5 in soil 1 (for both hysteretic and non-hysteretic simulations), a factor of 5 in hysteretic soil 2 and 6 in nonhysteretic case, and a factor of 4 in hysteretic soil 3 and 5 in non-hysteretic case (Table 4.1). 29 Table 4.1: Variations in the depth of COM due to precipitation increase in meters for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Soil 2 Precipitation (mm) Hysteresis 243 0.2543 NO hysteresis 0.3025 577 1.2557 1.5042 Soil 3 0.1227 NO hysteresis 0.1323 0.6234 0.8166 Hysteresis 0.1308 NO hysteresis 0.1204 0.5214 0.5977 Hysteresis When evaluating the effect of hysteresis and comparing between different soil profiles, it is found that, on average, the depth of COM is deeper in non-hysteretic water system by 19% in soil 1, 26% in soil 2, and 8 % in soil 3 (Table 4.2). In other words, the differences decrease in fine textured soils compared to coarser ones (Parlange, et al., 2006). Table 4.2: The average depths of COM in meters for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic systems. Soil 1 Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.6192 0.739 0.3033 0.381 0.2726 0.295 Another parameter which we are interested to investigate is the amount of solutes leaching into the ground water. As shown in Figure 4.2, the mass of solutes leached into the GW for all the soils in both soil water systems is zero until reaching a threshold precipitation value. The threshold value of precipitation is found to be around 450 mm in soil 1, and 570 mm in both soil 2 and soil 3. Beyond this threshold value there is some leaching, though the leaching masses are relatively small. The masses of solutes at the groundwater table can be seen in Table 4.3. 3 Table 4.3: The masses of solutes into GW in mg/cm for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Precipitation (mm) Hysteresis 450 577 0.002 0.164 NO hysteresis 0.007 0.175 Soil 2 Hysteresis 0 0.00673 NO hysteresis 0 0.0143 Soil 3 Hysteresis 0 0.00066 NO hysteresis 0 0.0024 30 Mass into GW vs. precipetationMalmö, 0.5h-soil 3 Mass into GW mg/cm3 Mass into GW mg/cm3 0.0025 0.002 0.0015 0.001 0.0005 0 15 25 35 45 55 Mass into GW vs. precipetationMalmö, 0.5h-soil 2 0.015 0.01 0.005 0 65 15 prec. (cm) No hys 25 35 45 55 65 prec. (cm) No hys With hys b Mass into GW, mg/cm3 a With hys 0.2 0.18 0.16 0.14 0.12 0.1 0.08 0.06 0.04 0.02 0 Mass into GW vs. precipetationMalmö, 0.5 h-soil 1 15 25 35 45 55 65 prec. (cm) No hys With hys c Figure 4.2: Scatter plot of masses into GW versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996-2008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations. Generally the leaching of solutes is less in hysteretic case (Table 4.3 and Table 4.4), which in turn indicates more retardation of solute transport relative to the movement predicted if the soil water system is considered as non-hysteretic (Russo, et al., 1989, Henry, et al., 2002). It is well known that the downward migration of solutes in fine soils is slower compared to coarse textured soils due to lower hydraulic conductivity in finer ones. This means that the amount of solutes leaching into the ground water in the soil 2 and soil 3 is less than that of soil 1(Table 4.4). It can be seen that the relationship between mass into GW and precipitation is not linear, though it shows a linear response after the threshold value in soil 1. It can also be noticed that leaching occurs at the highest precipitation value in soil 2 and soil 3 during study period; therefore, the trend is not clear beyond this value. 31 3 Table 4.4: The average masses of solutes leached into the GW in mg/cm for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Soil 2 NO hysteresis 2.23E-02 Hysteresis 1.48E-02 Soil 3 Hysteresis NO hysteresis Hysteresis 5.18E-04 1.11E-03 5.05E-05 NO hysteresis 1.81E-04 Since under current precipitation values there is little or no leaching of solutes into the GW, It could be useful to evaluate the variations in the depth to LC. Figure 4.3 shows variations in the depth of LC against precipitation, as mentioned in section 3.3 that the limit value was set to 0.2 mg/cm3. The maximum and minimum values of depth to LC are presented in Table 4.5. It is evident that the depth to this limit value is deeper without hysteresis. The variations in the depth of LC due to precipitation increase do not give a strong linear response, where the R2 values are relatively low for both water systems in all the soil profiles. This could be due to the fact that the precipitation is considered as the only independent variable in the simple linear regression while there are many other factors affecting downward movement of solutes, though precipitation is the dominant one. On the other hand, a non-linear (decreasing) tendency is more obvious beyond 450 mm of precipitation in all the three soils. These findings illustrate the complex nature of water and solute movement in the unsaturated zone. Table 4.5: The maximum and minimum depths to LC in meters for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic simulations Soil 1 Hysteresis 0.7538 2.25 NO hysteresis 0.9753 2.3002 Soil 2 Hysteresis 0.6283 0.9016 NO hysteresis 0.6508 1.0254 Soil 3 Hysteresis 0.5764 0.7758 NO hysteresis 0.5501 0.8256 32 1 y = 0.0088x + 0.3832 0.9 R² = 0.6286 0.8 0.7 y = 0.0067x + 0.4444 0.6 R² = 0.5779 0.5 0.4 15.00 25.00 35.00 45.00 55.00 65.00 LC depth vs precipitation-Malmo, 0.5hsoil 2 Depth to LC (m) Depth to LC (m) LC depth vs precipitation-Malmo, 0.5hsoil 3 Precipitation, cm with hysteresis Linear (with hysteresis) 1.2 1.1 y = 0.0125x + 0.3824 1 R² = 0.6717 0.9 0.8 0.7 y = 0.0081x + 0.4976 0.6 R² = 0.5718 0.5 0.4 15.00 25.00 35.00 45.00 55.00 65.00 Precipitation, cm with hysteresis Linear (with hysteresis) no hysteresis Linear (no hysteresis) a no hysteresis Linear (no hysteresis) b Depth to LC (m) 2.9 LC depth vs precipitation- Malmö,0.5hsoil 1 y = 0.0417x + 0.117 R² = 0.7496 2.4 1.9 1.4 y = 0.0398x + 0.0443 R² = 0.6402 0.9 0.4 15.00 25.00 35.00 45.00 55.00 65.00 Precipitation, cm with hysteresis no hysteresis Linear (with hysteresis) Linear (no hysteresis) c Figure 4.3: The depth to the LC versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996- 2008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations Table 4.6 gives the average depths to LC for all the soils in Malmö. Once again, the effect of hysteresis in different soil types is investigated. The depth of LC is found to be deeper in non-hysteretic model by 10% in soil 1, 6% in soil 2, and 2% in soil 3. It is clear that the effect is more pronounced in coarse soil (soil 1) than in the finer soils (soil 2 and soil 3) (Parlange, et al., 2006). Table 4.6: The average depths to LC in meters for all the three soil types in Malmö, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 1.4931 NO hysteresis 1.6352 Soil 2 Hysteresis 0.7919 NO hysteresis 0.8394 Soil 3 Hysteresis 0.6897 NO hysteresis 0.7048 33 4.1.1.2 Norrköping To investigate the effects of hysteresis on the transport process of solutes in this location, the same soil profiles were used in the model, but using measured precipitation in Norrköping. In this part only the depth of COM and masses leached into the ground water are presented and discussed, but the graphs of the depth to LC can be found in Appendix E. The depth of COM versus measured precipitation plots of Figure 4.5 show a different pattern compared to the same soil profiles in Mamlö and Petisträsk. The relationship between precipitation and depth of COM is unclear (non-linear). This could be attributed, at least partially, to the precipitation pattern. For this reason, two years (2003 and 2006) are selected to investigate the effect of precipitation pattern for soil 1 for the hysteretic simulation case. These two years are chosen because the difference in precipitation between them is very small (34.44 cm in 2003 and 34.99 cm in 2006), but the difference in depth to COM is relatively big (0.2787 m in 2003 and 0.8861 m in 2006). As evident from Figure 4.4, more intense precipitations were occurred in 2006 compared to 2003. The intensity exceeded 1.5 cm/hr at 6 rainfall occasions in 2006 while in 2003 there are no such intensities, and 1.0 cm/hr precipitations exceeded at 12 occasions in 2006 while only 4 times in 2003. Intensity cm/hr) Half hourly precipitation-Norrkoping, 2003 a 1.5 1 0.5 0 Time Intensity (cm/hr) Half hourly precipitation -Norrkoping, 2006 b 2.5 2 1.5 1 0.5 0 Time Figure 4.4: shows half hourly precipitations in 2003 (a) and 2006 (b) in Norrköping during 5000 hours of simulation. 34 However, to better understand the implications of precipitation pattern in all the sites on the downward movement of water and solutes, more investigation is required. Deth of COM vs precipitation-Norrköping, 0.5h-soil 3 0.4 0.5 y = 0.009x - 0.0664 R² = 0.2391 0.3 Depth of COM (m) Depth of COM (m) 0.5 0.2 y = 0.0059x + 0.0127 R² = 0.1697 0.1 0 20.00 25.00 30.00 35.00 40.00 45.00 y = 0.0157x - 0.2288 R² = 0.4542 0.4 0.3 0.2 y = 0.0116x - 0.137 R² = 0.307 0.1 0 20.00 25.00 30.00 35.00 40.00 45.00 Precipitation, cm Precipitation, cm with hysteresis Linear (with hysteresis) Deth of COM vs precipitation-Norrköping, 0.5h-soil 2 with hysteresis Linear (with hysteresis) no hysteresis Linear (no hysteresis) a no hysteresis Linear (no hysteresis) b Deth of COM vs precipitation-Norrköping, 0.5h-soil 1 Depth of COM (m) 1.2 1 0.8 y = 0.0407x - 0.7563 R² = 0.6049 0.6 y = 0.0304x - 0.5598 R² = 0.3141 0.4 0.2 0 20.00 25.00 30.00 35.00 40.00 45.00 Precipitation, cm with hysteresis Linear (with hysteresis) no hysteresis Linear (no hysteresis) c Figure 4.5: The depth of COM versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996- 2008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations. To quantitatively illustrate the effect of hysteresis in soil profiles, The maximum and minimum, depths of COM in meters for all the three soil types in Norrköping, for the period 1996-2008, for both hysteretic and non-hysteretic simulations are presented in Table 4.7. 35 Table 4.7: The maximum and minimum depths of COM in meters for all the three soil types in Norrköping, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Soil 2 0.2787 NO hysteresis 0.3745 0.8333 1.0043 Hysteresis Soil 3 0.1887 NO hysteresis 0.6774 0.4299 1.0012 Hysteresis 0.1721 NO hysteresis 0.1863 0.3612 0.4044 Hysteresis The precipitation varies between 288 mm and 409 mm in the selected simulation period (1 st of March-25th of September) during 13 years of study period. The relationship between COM and precipitation is not deterministic; therefore, the minimum depth of COM does not necessarily correspond to the minimum precipitation. However, an evaluation of the effect of hysteresis on the downward migration of solutes is done by a comparing the average depth of COM in all the soils (Table 4.8). Table 4.8: The average depths of COM in meters for all the three soil types in Norrköping, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 0.4818 NO hysteresis 0.6398 Soil 2 Hysteresis 0.2601 NO hysteresis 0.3082 Soil 3 Hysteresis 0.2135 NO hysteresis 0.2407 It is found that the depth of COM is deeper in non-hysteretic system by 33% in soil 1, 18% in soil 2, and 13% in soil 3. This indicates that the differences are most pronounced in coarse textured soils (Parlange, et al., 2006, Ward and Robinson, 2000a). One can observe that the leaching masses are very small in this site, but still there are very small masses seeping into the GW beyond some threshold precipitation value especially in soil 1. It can be noticed from Figure 4.6 that the threshold precipitation is around 350 mm in all the soil types. However, the leaching masses are different among soil types with different patterns beyond the threshold precipitation value. For the soil 1, an unclear pattern is dominant beyond the threshold value despite a decreasing trend after the peak mass. On the other hand, in the other two soils there is almost no leaching under current precipitation values, though there are some small masses leached into the GW at 350 mm of precipitation. Mass into GW vs precipitation, Norrkoping soil 3 0.5h 3.5E-10 3E-10 2.5E-10 2E-10 1.5E-10 1E-10 5E-11 0 20.00 25.00 30.00 35.00 40.00 45.00 Mass into the GW (mg/cm3) Mass into the GW (mg/cm3) 36 Mass into GW vs precipitationNorrköping , 0.5h-soil 2 2.50E-05 2.00E-05 1.50E-05 1.00E-05 5.00E-06 0.00E+00 20.00 25.00 30.00 35.00 40.00 45.00 Precipitation, cm with hysteresis no hysteresis Precipitation, cm with hysteresis no hysteresis b Mass into the GW (mg/cm3) a 0.04 0.035 0.03 0.025 0.02 0.015 0.01 0.005 0 20.00 Mass into GW vs precipitationNorrköping , 0.5h-soil 1 25.00 30.00 35.00 40.00 45.00 Precipitation, cm with hysteresis no hysteresis c Figure 4.6: Masses into GW versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996- 2008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations. Regarding the effect of hysteresis, it is obvious that leaching is higher in non-hysteretic simulations in all the soil types (Table 4.9 and Table 4.10). 3 Table 4.9: The average masses of solutes leached into the GW in mg/cm for all the three soil types in Norrköping, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 3.34E-03 NO hysteresis 6.83E-03 Soil 2 Hysteresis 3.647E-07 NO hysteresis 1.771E-06 Soil 3 Hysteresis 3.465E-14 NO hysteresis 2.567E-11 As mentioned previously that the solute concentrations at the groundwater table at the end of the the simulation period are very small, the maximum masses are presented below in Table 4.10. 37 3 Table 4.10: The maximum masses of solutes into the GW in mg/cm for all the three soil types in Norrköping, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 2.21E-02 Soil 2 NO hysteresis 3.68E-02 Soil 3 NO hysteresis 2.10E-05 Hysteresis 4.70E-06 NO hysteresis 3.33E-10 Hysteresis 2.15E-13 4.1.1.3 Petisträsk Figure 4.7 gives an overview of the depth of COM plotted against measured precipitations in all the three soil profiles (soil 1, soil 2, and soil 3) in this site. In all the three soil types the depth to COM is deeper when neglecting hysteresis. However, the differences decrease in soil 3 and soil 2 compared to soil 1. In Petisträsk, precipitation varies between 270 mm and 500 mm during study period (1996-2008). In the soil 1, the depth of COM varies between 0.3638 m and 1.3566 m in hysteretic water system, and between 0.4899 m to 1.4537 m in non- hysteretic one (Table 4.11). Table 4.11: The maximum and minimum depths of COM in meters for all the three soil types in Petisträsk, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Precipitation (mm) Hysteresis 27(96) 50(2004) 0.3638 1.3566 Soil 2 NO hysteresis 0.4899 1.4537 Hysteresis 0.2024 0.8263 Soil 3 NO hysteresis 0.2607 0.8525 Hysteresis 0.1832 0.6493 NO hysteresis 0.1998 0.7022 When comparing between different soil types, on average, the depth of COM is deeper in non-hysteretic system by 16% in soil 1, 12% in soil 2, and 6% in soil 3 (Table 4.12). From this comparison , one can conclude that the effect of hysteresis decreases in fine textured soils compared to coarser ones (Parlange, et al., 2006, Ward and Robinson, 2000a). Table 4.12: The average depths of COM in meters for all the three soil types in Petisträsk, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 0.8285 NO hysteresis 0.9607 Soil 2 Hysteresis 0.4511 NO hysteresis 0.5071 Soil 3 Hysteresis 0.3813 NO hysteresis 0.4025 38 Depth of COM vs. precipetationPetisträsk, 0.5h-soil 3 Depth of COM vs. precipetationPetisträsk, 0.5h-soil 2 Depth of COM (m) Depth of COM (m) 0.75 y = 0.0158x - 0.1726 R² = 0.7754 0.6 0.45 0.3 y = 0.0143x - 0.1396 R² = 0.7358 0.15 0 15 25 35 45 Prec. (cm) No hys Linear (No hys) 0.9 0.75 0.6 0.45 0.3 0.15 0 y = 0.0203x - 0.2342 R² = 0.8266 y = 0.0189x - 0.2386 R² = 0.7733 15 55 25 35 45 55 Prec. (cm) With hys Linear (With hys) No hys Linear (No hys) a With hys Linear (With hys) b Depth of COM vs. precipetationPetisträsk, 0.5h-soil 1 Depth of COM (m) 1.8 y = 0.0331x - 0.2455 R² = 0.8329 1.5 1.2 0.9 0.6 y = 0.0321x - 0.3464 R² = 0.7183 0.3 0 15 25 No hys Linear (No hys) 35 Prec. (cm) 45 55 With hys Linear (With hys) c Figure 4.7: The depth of centre of mass of solutes versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 1996-2008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations. It is apparent from Figure 4.8 that the leaching of solutes again occurs beyond a threshold precipitation value in all the soil types. It is found that the threshold value is around 370 mm in both soil 1 and soil 2, and around 405 mm in soil 3. However, the pattern beyond the threshold value is different among the soil types. For the soil 1, the leaching is increasing almost linearly with increasing precipitation, but in the other two soil types, even with increasing precipitation, a decreasing trend in the masses leached into the GW could be seen after peak values. Mass into GW vs. precipetationPetisträsk, 0.5h-soil 3 1.8E-05 Mass into GW vs. precipetationPetisträsk, 0.5h-soil 2 0.0012 Mass into GW mg/cm3 Mass into GW mg/cm3 39 1.5E-05 1.2E-05 9E-06 6E-06 3E-06 0 15 25 35 prec. (cm) No hys 45 0.0009 0.0006 0.0003 0 15 55 25 No hys With hys a Mass into GW mg/cm3 35 prec. (cm) 45 55 With hys b 0.18 Mass into GW vs. precipetationPetisträsk, 0.5h-soil 1 0.15 0.12 0.09 0.06 0.03 0 15 25 35 45 55 prec. (cm) No hys With hys c Figure 4.8: Mass into the GW versus measured precipitations in soil 1 (c), soil 2 (b), and soil 3 (a) for the period 19962008, for both non-hysteretic (green triangular dots) and hysteretic (red circular dots) simulations. Though the leaching masses are small, but still they are higher in non-hysteretic simulations. The average concentration of solutes at the groundwater table can be seen below in Table 4.13. 3 Table 4.13: The average masses of solutes leached into GW in mg/cm for all the three soil types in Petisträsk, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 2.86E-02 NO hysteresis 4.76E-02 Soil 2 Hysteresis 5.13E-05 NO hysteresis 2.33E-03 Soil 3 Hysteresis 7.25E-07 NO hysteresis 1.41E-06 The maximum masses seeped into the GW in all the soil types in this site are presented below in Table 4.14. 40 3 Table 4.14: The maximum masses of solutes leached into the GW in mg/cm for all the three soil types in Petisträsk, for the period 1996-2008, for both hysteretic and non-hysteretic soil waters. Soil 1 Hysteresis 9.59E-02 Soil 2 NO hysteresis 1.47E-01 Soil 3 NO hysteresis 9.59E-04 Hysteresis 3.12E-04 NO hysteresis 1.51E-05 Hysteresis 9.40E-06 4.1.1.4 Effect of time resolution of the meteorological input data on hysteresis The importance of time resolution of the input data on hysteresis is illustrated by investigating the depth of COM in all the three sites for the three soil profiles under investigation (Table 4.15). Shown are the average depths to COM with half hourly, 4-hourly, and daily input data during study period. The results show that the differences between hysteretic and non-hysteretic simulations decrease with decreasing time resolution of the input data. In Table 4.16, the average depth of COM in non-hysteretic simulations are compared to hysteretic case, it seems that the differences between hysteretic and non-hysteretic simulations are disappeared when using daily input data. Figure 4.9 shows the depth of COM against precipitation in soil 1 in Malmö for only half hourly and daily input data, but the graphs for all the other time resolutions for all soil profiles in the three sites are presented in Appendix E. 1.5 Depth of COM vs. precipetationMalmö, 24 h-soil 1 2 y = 0.036x - 0.573 R² = 0.8795 1 y = 0.03x - 0.4753 R² = 0.7948 0.5 0 15 25 35 45 Prec. (cm) No hys Linear (No hys) 55 65 With hys Linear (With hys) a Depth of COM (m) Depth of COM (m) 2 Depth of COM vs. precipetationMalmö, 0.5 h-soil 1 1.5 y = 0.0356x - 0.6305 R² = 0.8669 1 0.5 y = 0.0353x - 0.5945 R² = 0.8403 0 15 25 No hys 35 45 Prec. (cm) Linear (No hys) 55 65 With hys Linear (With hys) b Figure 4.9: Shows the effect of input data resolution on hysteresis, half hourly data (a) compared to daily data (b) It is expected to have less variation in the soil moisture when using averaged daily input data. In other words, the effect of moisture history of the soil will be vanished over short time periods (hours), which play an important role when finding water content at a specific suction. This means that the effect of hysteresis 41 will not be that important, since the mechanism of hysteresis is more pronounced over short time periods (hours). Table 4.15: The average depths of COM in meters with half hourly, 4-hourly, and daily input data in all the three sites (Malmö, Norrköping, and Petisträsk), for all the soils, for the period 1996-2008. The numbers between parentheses are maximum and minimum precipitations during study period Malmö (243-577) Soil 1 Timestep Half-hourly input data 4-hourly input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.6192 0.739 0.3033 0.381 0.2726 0.295 0.6146 0.7248 0.3392 0.3940 0.2798 0.2927 0.6929 0.6693 0.3590 0.3628 0.2966 0.2872 Norrköping (288-409) Soil 1 Timestep Half-hourly input data 4-hours input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.4818 0.6398 0.2601 0.3082 0.2135 0.2407 0.5500 0.6177 0.2763 0.3029 0.2377 0.2391 0.5329 0.5404 0.2752 0.2853 0.2338 0.2304 Petisträsk (270-500) Soil 1 Timestep Half-hourly input data 4-hours input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.8285 0.9607 0.4511 0.5071 0.3813 0.4025 0.8559 0.9484 0.4561 0.5035 0.3804 0.3979 0.9111 0.9080 0.4927 0.4906 0.3917 0.3933 42 Table 4.16: Average depth of COM in non-hysteretic simulations compared to average depth of COM in hysteretic simulations Malmö (243-577) Soil 1 Timestep Half-hourly input data 4-hours input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 1 1.19 1 1.26 1 1.08 1 1.18 1 1.16 1 1.05 1 0.97 1 1.01 1 0.97 Norrköping (288-409) Soil 1 Timestep Half-hourly input data 4-hours input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 1 1.33 1 1.18 1 1.13 1 1.12 1 1.10 1 1 1 1.01 1 1.04 1 0.99 Petisträsk (270-500) Soil 1 Timestep Half-hourly input data 4-hours input data Daily input data Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 1 1.16 1 1.12 1 1.06 1 1.11 1 1.10 1 1.05 1 1 1 1 1 1 4.1.2 Effect of Temporal variability in rainfall and evaporation We started analyzing the effects of temporal averaging of precipitation and evaporation input data on the downward movement of moisture and contaminants by the examination of three functions, COM, LC and mass into groundwater of contaminant, for three soil types with and without effect of hysteresis and for three sites of interest and how these functions are affected by averaging the input data. 43 For soil 1 in all sites solute movement was simulated with half hourly meteorological input as well as with hourly, 2 hours, 4 hours and 24 hours which were obtained by averaging the half hourly data. For soil 2 and soil 3 the simulations were done but only with half hourly, 4 hours and 24 hours inputs. To be able to analyze the effect of temporal averaging of the meteorological data we took 0.5 hour input as a base point, considering that the higher time resolution the more adequate outputs. This allowed us to calculate the percentages of different time resolutions with regard to the base point for each year and later compute the averages during the whole period for each soil type for each location. However, one may question why higher time resolution input gives more adequate outputs. This was good explained by Wang (2009) “the use of half hourly data is in itself an approximation that averages instantaneous rainfall intensity even over shorter time intervals than half hourly, hourly, 2 hours, 4 hours and daily data do. Hence the actual errors introduced by the reliance on daily meteorological data are higher”. Investigating the migration of COM with different input, one can see that for all three locations the averaged input seems to lead to the rising of underestimation of COM migration with increasing time step and it is rising proportionally with hydraulic conductivity of soil in non-hysteretic model. The last evidencing that contaminant transport in unsaturated zone is influenced to a large degree of the hydraulic properties in unsaturated zone and its heterogeneity (Wang, 2009). For instance, in soil 3 even when using half hourly short intense precipitations, the whole amount of water may not totally infiltrate due to low infiltration capacity. This means small differences might occur when comparing half hourly results to daily ones in soil 3. Moreover, recent study by Wang (2009), seem to support this finding. It is worthwhile to notice that the underestimation of COM migration is very small for 1, 2 and 4 hours time step, for all soil types, for all sites and averagely do not exceed 1%. For 24 hours timestep the overestimation is also relatively small, 6.5% in the average. The exception is Norrköping soil 1 with 24 hours time step where the underestimation is 17%, see Table 4.17. Table 4.17: Averaged depths of COM as a percentage of half hourly, during 1996-2008, without effect of hysteresis. Timestep Soil 1 0.5 1 2 4 24 1.00 1.00 0.99 0.98 0.89 Malmö Soil 2 No hysteresis 1.00 0.99 0.95 Soil 3 Soil 1 1.00 1.00 0.98 1.00 1.00 0.99 0.96 0.83 Norrköping Soil 2 No hysteresis 1.00 0.98 0.92 Soil 3 Soil 1 1.00 0.99 0.95 1.00 1.00 1.00 0.99 0.94 Petisträsk Soil 2 No hysteresis 1.00 0.99 0.97 Soil 3 1.00 0.99 0.98 44 Comparing COM movement in hysteric and non-hysteric models, one may see that in many cases lower input resolution leads, on a contrary, to the bigger overestimation of COM migration (Figure 4.10) It also seems that the overestimation also raises with increasing hydraulic conductivity of the soil the same as for non-hysteric model, but the overestimation is also quite small. For all cites, for all soils and for hourly time step COM in average equals 2%; for 2 hours the overestimation does not exceed 5% in average; for 4 hours the overestimation is 6% in average and for 24 is 11% (Table 4.18). Center of mass, m 1.4 1.2 1 0.8 0.6 0.4 0.2 0 0.5 4 7.5 11 14.5 18 21.5 2007 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2008 Center of mass, m Malmö, sand no hysteresis 1.6 Malmö, sand with hysteresis 1.5 1.4 1.3 1.2 1.1 1 0.9 0.8 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 0.5 4 7.5 Timestep, hours 11 14.5 18 21.5 2007 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2008 Timestep, hours Figure 4.10: Yearly contaminant migration for 1996-2008 years of simulations for soil 1, with and without effect of hysteresis, Malmö, Sweden. The reason why the COM is overestimated in hysteretic model when using daily input data compared to half hourly is that the effect of the soil history disappear (variations in the soil moisture are neglected) which in turn leads to deeper percolation. In other words, the hysteretic simulation results will be as that of non-hysteretic case. Table 4.18: Averaged depths of COM as a percentage of half hourly, during 1996-2008 years, with effect of hysteresis. Timestep 0.5 1 2 4 24 Malmö Soil 1 Soil 2 With hysteresis 1.00 1.00 0.98 0.97 1.00 1.11 1.13 1.18 Soil 3 1.00 1.04 1.09 Norrköping Soil 1 Soil 2 With hysteresis 1.00 1.00 1.06 1.16 1.17 1.08 1.19 1.07 Soil 3 1.00 1.11 1.09 Petisträsk Soil 1 Soil 2 With hysteresis 1.00 1.00 1.02 1.02 1.04 1.02 1.12 1.09 Soil 3 1.00 1.00 1.02 45 Analyzing how the temporal averaging the input data effects on the depth to LC one may see that for all cites and all soil types in non-hysteretic model, the depth to LC is almost stable for hourly, 2 hours and 4 hours input. Though the depth to LC for 24 hours time step for all soil types, for all cites is slightly underestimated by 2% in average. As in case with COM here we may also observe that it seems that the depth to LC is more underestimated for coarse textured soils rather than for finer one, see Table 4.19. Table 4.19: Averaged depths to LC as a percentage of half hourly, during 1996-2008 years, without effect of hysteresis. Timestep Soil 1 0.5 1 2 4 24 1.00 1.00 1.00 0.99 1.00 Malmö Soil 2 No hysteresis 1.00 0.99 0.96 Soil 3 Soil 1 1.00 0.99 0.99 1.00 1.00 0.99 0.98 0.90 Norrköping Soil 2 No hysteresis 1.00 0.99 0.98 Soil 3 Soil 1 1.00 0.99 0.99 1.00 1.00 1.00 0.99 0.96 Petisträsk Soil 2 No hysteresis 1.00 1.00 0.99 Soil 3 1.00 1.00 1.00 For hysteretic case the depth to LC as the depth to COM is slightly overestimated and overestimation is also rises with time step as well as with increasing hydraulic conductivity in the soil. Average overestimation of depth to LC for all cites and for hourly timestep is 2%, for 2 hours time step it is stable, for 4 hours time step 1% and for 24 hours time step is 3% (Table 4.20). Table 4.20: Averaged depths to LC as a percentage of half hourly input, during 1997-2008 years, with effect of hysteresis. Timestep 0.5 1 2 4 24 Malmö Soil 1 Soil 2 With hysteresis 1.00 1.00 1.00 0.98 1.04 1.03 1.06 1.01 Soil 3 1.00 1.01 1.03 Norrköpink Soil 1 Soil 2 With hysteresis 1.00 1.00 1.04 1.02 1.04 1.03 1.08 1.02 Soil 3 1.00 1.02 1.01 Petisträsk Soil 1 Soil 2 With hysteresis 1.00 1.00 1.02 1.02 0.96 1.01 1.00 1.04 Soil 3 1.00 1.00 1.01 Investigating how much mass of the pollutant leaches into the groundwater with different timestep one may notice that for all soil types and for all sites under non-hysteretic conditions the difference of the mass of pollutant is increasing with a timestep. The pattern is unclear but it is clearly seen that for soils with higher hydraulic conductivity the mass which reaches the ground table is less comparing to those which have higher hydraulic conductivities. However the masses are very small, in average for soil 1 its 3.46*10-2 46 mg/cm3, for soil 2, 9.45*10-4 mg/cm3 and for soil 3, 8.75*10-5 mg/cm3, see Table 4.21 and Table 4.22 below. Table 4.21: Averaged values of mass into groundwater as a percentage of half hourly input, during 1996-2008 years, without effect of hysteresis Timestep Malmö No hysteresis Soil 1 Soil 2 Soil 3 Norrköping No hysteresis Soil 1 Soil 2 Soil 3 % % Soil 1 Petisträsk No hysteresis Soil 2 Soil 3 % 0.5 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1 0.94 - - 0.93 - - 0.98 - - 2 0.84 - - 0.84 - - 0.95 - - 4 24 0.62 0.53 1.06 2.03 1.30 17.30 0.55 0.14 1.47 511.69 1.39 27.52 0.84 0.50 0.77 0.50 0.73 0.57 Table 4.22: Averaged values of mass to groundwater, during 1996-2008 years, with hysteresis Malmö With hysteresys Timestep Soil 1 Soil 2 Norrköping With hysteresys Soil 3 Soil 1 % 1 1 2 4 24 1 1 3 4448 3496575960 1 504 338 1 122 54 1 27303 7900 3810 14393 Soil 2 % 1 3268 9389760 Petistrask With hysteresys Soil 3 Soil 2 Soil 3 1 10091 2774087 1 1 6 Soil 1 % 1 56964 226 1 3526162 1 22317102 169901355 Table 4.23 and Table 4.24 perform the averaged values of mass of pollutant to ground water as a percentage of half hourly input data for 1996-2008 for all soil types and for all sites under hysteretic conditions. It can be observed that the mass into ground water in all three cases is highly overestimated. The tendency is not clear but we may say that the overestimation decreases with decreasing hydraulic conductivity of the soil. One may see that 24 hours input data leads to greater overestimations comparing to half hourly input especially for soil 1 and soil 2. However the masses of the contaminant which leached to the ground water in all cases are very small even comparing to the those which were obtained from halfhourly input; for instance, for soil 1 for 3 sites with 24 hours input data the average mass of the 47 contaminant which reached the GW is 2.17*10-2 mg/cm3, for soil 2 is 9.79*10-4 mg/cm3 and for soil 3 is 9.96*10-5 mg/cm3. 3 Table 4.23: Averaged values of mass to groundwater, during 1996-2008 years, mg/cm , with hysteresis Timestep Malmö Norrköping Petisträsk With hysteresys With hysteresys With hysteresys Soil 1 Soil 2 Soil 3 average values Soil 1 Soil 2 Soil 3 average values 2.65E-05 3.34E-03 3.65E-07 Soil 1 Soil 2 Soil 3 average values 3.47E14 0.5 1.48E-02 4.64E-04 2.86E-02 5.13E-05 7.25E-07 1 1.55E-02 - - 4.58E-03 - - 2.78E-02 - - 2 1.50E-02 - - 5.54E-03 - 3.10E-02 - - 4 1.59E-02 5.04E-04 4.46E-05 7.56E-03 1.54E-06 24 1.81E-02 9.34E-04 9.93E-05 2.18E-03 1.00E-07 1.61E12 2.20E13 3.46E-02 4.61E-05 1.08E-07 4.49E-02 1.34E-04 7.61E-07 3 Table 4.24: Averaged values of mass to groundwater as a percentage of half hourly input, during 1996-2008 years, mg/cm , without effect of hysteresis Malmö No hysteresis Timestep Soil 1 Soil 2 Soil 3 average values 0.5 2.23E-02 1.11E-03 1.26E-04 1 2.22E-02 2 2.20E-02 4 2.14E-02 1.07E-03 1.16E-04 24 1.82E-02 9.10E-04 8.74E-05 Norrköping No hysteresis Soil 1 Soil 2 Soil 3 average values 6.83E-03 1.77E-06 2.57E-11 6.72E-03 6.56E-03 5.89E-03 1.41E-06 1.94E-11 3.15E-03 3.78E-07 1.54E-12 Petistrask No hysteresis Soil 1 Soil 2 Soil 3 average values 4.76E-02 1.79E-04 1.41E-06 4.74E-02 4.71E-02 4.58E-02 1.56E-04 5.11E-07 3.97E-02 1.04E-04 3.19E-07 4.1.3 Effect of geographic location In Table 4.25, the average depths of COM in all the sites are presented. These results clearly demonstrate that the depth of COM is deeper in Petisträsk compared to the other two sites. It can also be seen that the lowest depths of COM occurred in Norrköping. 48 Table 4.25: The average depths of COM in meters in all the three sites (Malmö, Norrköping, and Petisträsk), for the period 1996-2008, for both hysteretic and non-hysteretic systems. The numbers between parentheses are maximum and minimum precipitations during study period. Malmö (243-577) Soil 1 Soil 2 NO hysteresis 0.739 Hysteresis 0.6192 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis 0.3033 0.381 0.2726 0.295 Norrköping (288-409) Soil 1 Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.4818 0.6398 0.2601 0.3082 0.2135 0.2407 Petisträsk (270-500) Soil 1 Soil 2 Soil 3 Hysteresis NO hysteresis Hysteresis NO hysteresis Hysteresis NO hysteresis 0.8285 0.9607 0.4511 0.5071 0.3813 0.4025 The average precipitations are 365, 343, and 365 mm in Malmö, Norrköping, and Petisträsk respectively. The deeper migration of COM of solutes in Petisträsk could be, at least partially due to higher net precipitation compared to the other two sites. 49 5 Conclusions Water and solutes movement in the unsaturated zone is incredibly complex process due to the heterogeneous nature of soil and variable atmospheric boundary conditions at both the soil surface over short time periods. Despite all the simplifications which were made, HYDRUS-1D is a powerful tool to simulate the movement of water and solutes in partially saturated porous media, since it can deal with different water flow and solute transport boundary conditions. However, to be able to validate the model performance, more data collection and measurements are needed which in turn means more cost-effective sampling and analysis methodologies must be developed. Results of the study show the following; Generally, under non-hysteretic water flow, solute migration is faster which in turn refers to an overestimation of the solute velocity, especially with high resolution input data. Analysis of the downward migration of the solutes indicates that the effect of hysteresis is more pronounced in the coarse textured soils Generally, the leaching of solutes into the groundwater starts beyond some threshold precipitation values, although even the maximum concentrations leached into the GW at the end of simulation period are small, especially in Norrköping. The results demonstrate that the concentration profiles of solutes in Norrköping and Malmö are lagged behind that of Petisträsk, since the results show that the average depth of COM is deeper in Petisträsk. It is also found that the lowest depths of COM occurred in Norrköping. This could be an indication that the groundwater is more susceptible to contamination in Petisträsk and Malmö in comparison to Norrköping. Though in the real conditions, there are many other key factors affecting migration of contaminants from ground surface into the groundwater, for instance, land use, topography, etc. Lower time resolution of the input data leads to increasing both underestimation of the depth of COM for non- hysteretic simulations and overestimation for hysteretic ones. In most cases, overestimation and underestimation of the depth to COM is rising with increasing hydraulic conductivity of the soil. It is found that the differences between hysteretic and non-hysteretic simulations are very small when using daily input data. Consequently, we may recommend neglecting the effect of hysteresis when using daily input data. 50 Making a rough prediction of the migration of the depth to COM because of precipitation increase by 100 %, we may say that the depth to COM is dropped down below the GL by a factor of 5. 51 6 Recommendations and future work Following are some proposed recommendations for this study. Since in this study the simulations were conducted from 1996-2008 (13 years) which might not be long enough to better find out and understand the tendency of the the downward migration of solutes, it could be useful to extend the study period. It might be also useful to try different simulation periods and compare between them to discover the worst downward migration scenarios. It could be interesting to simulate the movement of water and solutes using projected (modeled) precipitation and evaporation input data during the same study period, and then comparing to the simulations with measured data. This could be a useful tool when modeling for the future scenarios using projected input data to see the impacts of the climate changes. Finally, further investigation is required to evaluate the implications of precipitation pattern on the solute transport. 52 References Arampatzis, G., Tzimopoulos, C., Sakellariou-Makrantonaki, M. & Yannopoulos, S. 2001. 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Dept. of Water Resources Engineering, Lund institute of Technology. 54 Appendices Appendix A. Matlab codes for averaging the pecipitation %from half hr to hourly prec (96-2008) measured i=1:5000; ph96cmh(i,1)=(p96cmh(2*i-1,1)+p96cmh(2*i,1))/2; ph97cmh(i,1)=(p97cmh(2*i-1,1)+p97cmh(2*i,1))/2; ph98cmh(i,1)=(p98cmh(2*i-1,1)+p98cmh(2*i,1))/2; ph99cmh(i,1)=(p99cmh(2*i-1,1)+p99cmh(2*i,1))/2; ph2000cmh(i,1)=(p2000cmh(2*i-1,1)+p2000cmh(2*i,1))/2; ph2001cmh(i,1)=(p2001cmh(2*i-1,1)+p2001cmh(2*i,1))/2; ph2002cmh(i,1)=(p2002cmh(2*i-1,1)+p2002cmh(2*i,1))/2; ph2003cmh(i,1)=(p2003cmh(2*i-1,1)+p2003cmh(2*i,1))/2; ph2004cmh(i,1)=(p2004cmh(2*i-1,1)+p2004cmh(2*i,1))/2; ph2005cmh(i,1)=(p2005cmh(2*i-1,1)+p2005cmh(2*i,1))/2; ph2006cmh(i,1)=(p2006cmh(2*i-1,1)+p2006cmh(2*i,1))/2; ph2007cmh(i,1)=(p2007cmh(2*i-1,1)+p2007cmh(2*i,1))/2; ph2008cmh(i,1)=(p2008cmh(2*i-1,1)+p2008cmh(2*i,1))/2; %from hourly to 2 hr prec. (96-2008) measured i=1:2500; p2h96cmh(i,1)=(ph96cmh(2*i-1,1)+ph96cmh(2*i,1))/2; p2h97cmh(i,1)=(ph97cmh(2*i-1,1)+ph97cmh(2*i,1))/2; p2h98cmh(i,1)=(ph98cmh(2*i-1,1)+ph98cmh(2*i,1))/2; p2h99cmh(i,1)=(ph99cmh(2*i-1,1)+ph99cmh(2*i,1))/2; p2h2000cmh(i,1)=(ph2000cmh(2*i-1,1)+ph2000cmh(2*i,1))/2; p2h2001cmh(i,1)=(ph2001cmh(2*i-1,1)+ph2001cmh(2*i,1))/2; p2h2002cmh(i,1)=(ph2002cmh(2*i-1,1)+ph2002cmh(2*i,1))/2; 55 p2h2003cmh(i,1)=(ph2003cmh(2*i-1,1)+ph2003cmh(2*i,1))/2; p2h2004cmh(i,1)=(ph2004cmh(2*i-1,1)+ph2004cmh(2*i,1))/2; p2h2005cmh(i,1)=(ph2005cmh(2*i-1,1)+ph2005cmh(2*i,1))/2; p2h2006cmh(i,1)=(ph2006cmh(2*i-1,1)+ph2006cmh(2*i,1))/2; p2h2007cmh(i,1)=(ph2007cmh(2*i-1,1)+ph2007cmh(2*i,1))/2; p2h2008cmh(i,1)=(ph2008cmh(2*i-1,1)+ph2008cmh(2*i,1))/2; %from2 hr to 4 hr prec. (96-2008) measured i=1:1250; p4h96cmh(i,1)=(p2h96cmh(2*i-1,1)+p2h96cmh(2*i,1))/2; p4h97cmh(i,1)=(p2h97cmh(2*i-1,1)+p2h97cmh(2*i,1))/2; p4h98cmh(i,1)=(p2h98cmh(2*i-1,1)+p2h98cmh(2*i,1))/2; p4h99cmh(i,1)=(p2h99cmh(2*i-1,1)+p2h99cmh(2*i,1))/2; p4h2000cmh(i,1)=(p2h2000cmh(2*i-1,1)+p2h2000cmh(2*i,1))/2; p4h2001cmh(i,1)=(p2h2001cmh(2*i-1,1)+p2h2001cmh(2*i,1))/2; p4h2002cmh(i,1)=(p2h2002cmh(2*i-1,1)+p2h2002cmh(2*i,1))/2; p4h2003cmh(i,1)=(p2h2003cmh(2*i-1,1)+p2h2003cmh(2*i,1))/2; p4h2004cmh(i,1)=(p2h2004cmh(2*i-1,1)+p2h2004cmh(2*i,1))/2; p4h2005cmh(i,1)=(p2h2005cmh(2*i-1,1)+p2h2005cmh(2*i,1))/2; p4h2006cmh(i,1)=(p2h2006cmh(2*i-1,1)+p2h2006cmh(2*i,1))/2; p4h2007cmh(i,1)=(p2h2007cmh(2*i-1,1)+p2h2007cmh(2*i,1))/2; p4h2008cmh(i,1)=(p2h2008cmh(2*i-1,1)+p2h2008cmh(2*i,1))/2; %from 4 hr to 24 hr prec. (96-2008) measured i=1:208; p24h96cmh(i,1)=(p4h96cmh(6*i-5,1)+p4h96cmh(6*i-4,1)+p4h96cmh(6*i3,1)+p4h96cmh(6*i-2,1)+p4h96cmh(6*i-1,1)+p4h96cmh(6*i,1))/6; p24h97cmh(i,1)=(p4h97cmh(6*i-5,1)+p4h97cmh(6*i-4,1)+p4h97cmh(6*i- 56 3,1)+p4h97cmh(6*i-2,1)+p4h97cmh(6*i-1,1)+p4h97cmh(6*i,1))/6; p24h98cmh(i,1)=(p4h98cmh(6*i-5,1)+p4h98cmh(6*i-4,1)+p4h98cmh(6*i3,1)+p4h98cmh(6*i-2,1)+p4h98cmh(6*i-1,1)+p4h98cmh(6*i,1))/6; p24h99cmh(i,1)=(p4h99cmh(6*i-5,1)+p4h99cmh(6*i-4,1)+p4h99cmh(6*i3,1)+p4h99cmh(6*i-2,1)+p4h99cmh(6*i-1,1)+p4h99cmh(6*i,1))/6; p24h2000cmh(i,1)=(p4h2000cmh(6*i-5,1)+p4h2000cmh(6*i-4,1)+p4h2000cmh(6*i3,1)+p4h2000cmh(6*i-2,1)+p4h2000cmh(6*i-1,1)+p4h2000cmh(6*i,1))/6; p24h2001cmh(i,1)=(p4h2001cmh(6*i-5,1)+p4h2001cmh(6*i-4,1)+p4h2001cmh(6*i3,1)+p4h2001cmh(6*i-2,1)+p4h2001cmh(6*i-1,1)+p4h2001cmh(6*i,1))/6; p24h2002cmh(i,1)=(p4h2002cmh(6*i-5,1)+p4h2002cmh(6*i-4,1)+p4h2002cmh(6*i3,1)+p4h2002cmh(6*i-2,1)+p4h2002cmh(6*i-1,1)+p4h2002cmh(6*i,1))/6; p24h2003cmh(i,1)=(p4h2003cmh(6*i-5,1)+p4h2003cmh(6*i-4,1)+p4h2003cmh(6*i3,1)+p4h2003cmh(6*i-2,1)+p4h2003cmh(6*i-1,1)+p4h2003cmh(6*i,1))/6; p24h2004cmh(i,1)=(p4h2004cmh(6*i-5,1)+p4h2004cmh(6*i-4,1)+p4h2004cmh(6*i3,1)+p4h2004cmh(6*i-2,1)+p4h2004cmh(6*i-1,1)+p4h2004cmh(6*i,1))/6; p24h2005cmh(i,1)=(p4h2005cmh(6*i-5,1)+p4h2005cmh(6*i-4,1)+p4h2005cmh(6*i3,1)+p4h2005cmh(6*i-2,1)+p4h2005cmh(6*i-1,1)+p4h2005cmh(6*i,1))/6; p24h2006cmh(i,1)=(p4h2006cmh(6*i-5,1)+p4h2006cmh(6*i-4,1)+p4h2006cmh(6*i3,1)+p4h2006cmh(6*i-2,1)+p4h2006cmh(6*i-1,1)+p4h2006cmh(6*i,1))/6; p24h2007cmh(i,1)=(p4h2007cmh(6*i-5,1)+p4h2007cmh(6*i-4,1)+p4h2007cmh(6*i3,1)+p4h2007cmh(6*i-2,1)+p4h2007cmh(6*i-1,1)+p4h2007cmh(6*i,1))/6; p24h2008cmh(i,1)=(p4h2008cmh(6*i-5,1)+p4h2008cmh(6*i-4,1)+p4h2008cmh(6*i3,1)+p4h2008cmh(6*i-2,1)+p4h2008cmh(6*i-1,1)+p4h2008cmh(6*i,1))/6; 57 Appendix B. Matlab codes for averaging potential evapotranspiration %from hourly to half hour evaporation-mm/h for i=1:5000 hi=i*2; evahalfAR(hi-1:hi)=eva(hi/2); end %from hourly to 2 hour evaporation-cmh for i=1:2500; eva2h(i,1)=(evacm(2*i-1,1)+evacm(2*i,1))/2; end %from 2 hour to 4 hr evaporation-cmh for i=1:1250; eva4h(i,1)=(eva2h(2*i-1,1)+eva2h(2*i,1))/2; %#ok<*SAGROW> end 58 %from 4 hr to 24 hr evaporation-cmh for i=1:208; eva24h(i,1)=(eva4h(6*i-5,1)+eva4h(6*i-4,1)+eva4h(6*i-3,1)+eva4h(6*i2,1)+eva4h(6*i-1,1)+eva4h(6*i,1))/6; end %montly evaporation Malmö mar=22; apr=64; maj=108; jun=132; jul=130; aug=104; sep=62; okt=28; nov=12; % from monthly to hourly evaporation eva=zeros(1,6600); for dag=0:274 if dag<30.1 eva(dag*24+1+6:dag*24+1+9)=mar/31/16; eva(dag*24+1+10:dag*24+1+13)=mar/31/8; eva(dag*24+1+14:dag*24+1+17)=mar/31/16; elseif dag<60.1 59 eva(dag*24+1+6:dag*24+1+9)=apr/30/16; eva(dag*24+1+10:dag*24+1+13)=apr/30/8; eva(dag*24+1+14:dag*24+1+17)=apr/30/16; elseif dag<91.1 eva(dag*24+1+6:dag*24+1+9)=maj/31/16; eva(dag*24+1+10:dag*24+1+13)=maj/31/8; eva(dag*24+1+14:dag*24+1+17)=maj/31/16; elseif dag<121.1 eva(dag*24+1+6:dag*24+1+9)=jun/30/16; eva(dag*24+1+10:dag*24+1+13)=jun/30/8; eva(dag*24+1+14:dag*24+1+17)=jun/30/16; elseif dag<152.1 eva(dag*24+1+6:dag*24+1+9)=jul/31/16; eva(dag*24+1+10:dag*24+1+13)=jul/31/8; eva(dag*24+1+14:dag*24+1+17)=jul/31/16; elseif dag<183.1 eva(dag*24+1+6:dag*24+1+9)=aug/31/16; eva(dag*24+1+10:dag*24+1+13)=aug/31/8; eva(dag*24+1+14:dag*24+1+17)=aug/31/16; elseif dag<213.1 eva(dag*24+1+6:dag*24+1+9)=sep/30/16; eva(dag*24+1+10:dag*24+1+13)=sep/30/8; eva(dag*24+1+14:dag*24+1+17)=sep/30/16; elseif dag<244.1 eva(dag*24+1+6:dag*24+1+9)=okt/31/16; eva(dag*24+1+10:dag*24+1+13)=okt/31/8; eva(dag*24+1+14:dag*24+1+17)=okt/31/16; elseif dag<274.1 60 eva(dag*24+1+6:dag*24+1+9)=nov/30/16; eva(dag*24+1+10:dag*24+1+13)=nov/30/8; eva(dag*24+1+14:dag*24+1+17)=nov/30/16; end end %montly evaporation Petritrask mar=8; apr=20; maj=75; jun=120; jul=110; aug=74; sep=32; okt=8; nov=1; % from monthly to hourly evaporation eva=zeros(1,6576); for dag=0:274 if dag<30.1 eva(dag*24+1+6:dag*24+1+9)=mar/31/16; eva(dag*24+1+10:dag*24+1+13)=mar/31/8; eva(dag*24+1+14:dag*24+1+17)=mar/31/16; elseif dag<60.1 eva(dag*24+1+6:dag*24+1+9)=apr/30/16; eva(dag*24+1+10:dag*24+1+13)=apr/30/8; eva(dag*24+1+14:dag*24+1+17)=apr/30/16; 61 elseif dag<91.1 eva(dag*24+1+6:dag*24+1+9)=maj/31/16; eva(dag*24+1+10:dag*24+1+13)=maj/31/8; eva(dag*24+1+14:dag*24+1+17)=maj/31/16; elseif dag<121.1 eva(dag*24+1+6:dag*24+1+9)=jun/30/16; eva(dag*24+1+10:dag*24+1+13)=jun/30/8; eva(dag*24+1+14:dag*24+1+17)=jun/30/16; elseif dag<152.1 eva(dag*24+1+6:dag*24+1+9)=jul/31/16; eva(dag*24+1+10:dag*24+1+13)=jul/31/8; eva(dag*24+1+14:dag*24+1+17)=jul/31/16; elseif dag<183.1 eva(dag*24+1+6:dag*24+1+9)=aug/31/16; eva(dag*24+1+10:dag*24+1+13)=aug/31/8; eva(dag*24+1+14:dag*24+1+17)=aug/31/16; elseif dag<213.1 eva(dag*24+1+6:dag*24+1+9)=sep/30/16; eva(dag*24+1+10:dag*24+1+13)=sep/30/8; eva(dag*24+1+14:dag*24+1+17)=sep/30/16; elseif dag<244.1 eva(dag*24+1+6:dag*24+1+9)=okt/31/16; eva(dag*24+1+10:dag*24+1+13)=okt/31/8; eva(dag*24+1+14:dag*24+1+17)=okt/31/16; elseif dag<274.1 eva(dag*24+1+6:dag*24+1+9)=nov/30/16; eva(dag*24+1+10:dag*24+1+13)=nov/30/8; eva(dag*24+1+14:dag*24+1+17)=nov/30/16; 62 end end %montly evaporation Norrköping mar=20; apr=53; maj=104; jun=139; jul=127; aug=95; sep=48; okt=17; nov=3; % from monthly to hourly evaporation eva=zeros(1,6576); for dag=0:274 if dag<30.1 eva(dag*24+1+6:dag*24+1+9)=mar/31/16; eva(dag*24+1+10:dag*24+1+13)=mar/31/8; eva(dag*24+1+14:dag*24+1+17)=mar/31/16; elseif dag<60.1 eva(dag*24+1+6:dag*24+1+9)=apr/30/16; eva(dag*24+1+10:dag*24+1+13)=apr/30/8; eva(dag*24+1+14:dag*24+1+17)=apr/30/16; elseif dag<91.1 eva(dag*24+1+6:dag*24+1+9)=maj/31/16; 63 eva(dag*24+1+10:dag*24+1+13)=maj/31/8; eva(dag*24+1+14:dag*24+1+17)=maj/31/16; elseif dag<121.1 eva(dag*24+1+6:dag*24+1+9)=jun/30/16; eva(dag*24+1+10:dag*24+1+13)=jun/30/8; eva(dag*24+1+14:dag*24+1+17)=jun/30/16; elseif dag<152.1 eva(dag*24+1+6:dag*24+1+9)=jul/31/16; eva(dag*24+1+10:dag*24+1+13)=jul/31/8; eva(dag*24+1+14:dag*24+1+17)=jul/31/16; elseif dag<183.1 eva(dag*24+1+6:dag*24+1+9)=aug/31/16; eva(dag*24+1+10:dag*24+1+13)=aug/31/8; eva(dag*24+1+14:dag*24+1+17)=aug/31/16; elseif dag<213.1 eva(dag*24+1+6:dag*24+1+9)=sep/30/16; eva(dag*24+1+10:dag*24+1+13)=sep/30/8; eva(dag*24+1+14:dag*24+1+17)=sep/30/16; elseif dag<244.1 eva(dag*24+1+6:dag*24+1+9)=okt/31/16; eva(dag*24+1+10:dag*24+1+13)=okt/31/8; eva(dag*24+1+14:dag*24+1+17)=okt/31/16; elseif dag<274.1 eva(dag*24+1+6:dag*24+1+9)=nov/30/16; eva(dag*24+1+10:dag*24+1+13)=nov/30/8; eva(dag*24+1+14:dag*24+1+17)=nov/30/16; end 64 Appendix C. Calculation of contaminant concentrations For soil 1: For soil 2: For soil 3: 65 Appendix D. Finding the centre of mass in a 101 vector of concentration values depth summa=sum(c); s=0; i=1; while s<(summa/2) s=s+c(i); i=i+1; end %linear interpolation kvot=(s-summa/2)/c(i-1); depth=(i-1)*0.025-kvot*0.025 %find where C is larger than limit limit=0.2; s=0; i=55; while c(i)>(limit) i=i+1; end kvot=(c(i)-limit)/c(i-1); largerthanlimit=(i)*0.025-kvot*0.025 66 Appendix E. Grapghs to the depth of centre of mass, mass into groundwater,and depth to limit concentration against measured precipiations for all soils in Malmö, Norrköping, and Petisträsk with half hourly, 4-hourly, and daily meteoroligical input data 1.5 1 0.5 30 45 Prec. (cm) No hys Linear (No hys) 0.4 0.2 60 With hys Linear (With hys) 1.5 1 0.5 30 45 With hys Linear (No hys) Linear (With hys) Depth of COM vs. precipetation-Malmö, 4hsoil 2 0.8 0.6 0.4 0.2 No hys Linear (No hys) 1 0.5 No hys Linear (No hys) Depth of COM (m) 1.5 30 45 Prec. (cm) 45 60 Prec. (cm) No hys Linear (No hys) With hys Linear (With hys) 60 With hys Linear (With hys) Depth of COM vs. precipetation-Malmö, 4hsoil 3 0.6 0.4 0.2 15 30 45 60 Prec. (cm) With hys Linear (With hys) Depth of COM vs. precipetation-Malmö, 24hsoil 2 1 No hys With hys Linear (No hys) Linear (With hys) 0.8 0.8 0.6 0.4 0.2 0 0 0.8 60 Depth of COM (m) With hys Linear (With hys) 30 30 45 Prec. (cm) 0 15 60 Depth of COM vs. precipetation-Malmö, 24 hSoil 1 2 15 0.2 15 0 No hys Linear (No hys) 0.4 60 No hys 1 0 30 45 Prec. (cm) 0.6 Prec. (cm) Depth of COM vs. precipetation-Malmö,4hSoil 1 15 Depth of COM vs. precipetation-Malmö, 0.5hsoil 3 0.8 0 15 Depth of COM (m) Depth od COM (m) 0.6 Depth of COM (m) 15 Depth of COM (m) 0.8 0 0 2 1 Depth of COM vs. precipetation-Malmö, 0.5hsoil 2 Depth of COM (m) Depth of COM vs. precipetation-Malmö, 0.5 hsoil 1 2 Depth of COM (m) Depth of COM (m) E-1: Depth of COM versus precipitation for all soils in Malmö with half hourly, 4-hourly, and daily meteoroligical input data Depth of COM vs. precipetation-Malmö, 24hsoil 3 0.6 0.4 0.2 0 15 30 45 Prec. (cm) 60 No hys With hys Linear (No hys) Linear (With hys) 15 30 45 60 Prec. (cm) No hys Linear (No hys) With hys Linear (With hys) 67 0.12 0.08 0.04 0 15 30 45 0.01 0.005 0 15 60 30 45 prec. (cm) prec. (cm) With hys 0.15 0.1 0.05 0 30 45 prec. (cm) No hys 0.05 0 45 60 Prec. (cm) No hys With hys 0.0025 0.002 0.0015 0.001 0.0005 0 15 No hys 0.005 0 15 30 45 prec. (cm) 0.0015 0.001 0.0005 0 15 No hys 0.005 0 No hys With hys 30 45 60 prec. (cm) 0.01 45 60 0.002 60 Mass into GW vs. precipetation-Malmö, 24 hsoil 2 0.015 30 45 Mass into GW vs. precipetation-Malmö, 4 hsoil 3 With hys prec. (cm) 30 prec. (cm) Mass into GW vs. precipetation-Malmö, 4 hsoil 2 15 Mass into GW vs. precipetation-Malmö, 0.5 hsoil 3 With hys No hys 0.1 60 0.01 With hys 0.15 30 0.015 60 Mass into GW vs. precipetation-Malmö, 24 h0.2 soil 1 15 Mass into GW (mg/cm3) Mass into GW vs. precipetation-Malmö, 4 hsoil 1 0.2 15 Masss into GW (mg/cm3 No hys Mass into GW (mg/cm3) Mass into GW (mg/cm3) No hys Mass into GW (mg/cm3) 0.16 Mass into GW (mg/cm3) 0.2 Mass into GW vs. precipetation-Malmö, 0.5hsoil 2 0.015 60 With hys Mass into GW (mg/cm3) Mass into GW vs. precipetation-Malmö, 0.5 hsoil 1 Mass into GW (mg/cm3) Mass into GW, mg/cm3 E-2: Mass into GW versus precipitation for all soils in Malmö with half hourly, 4-hourly, and daily meteoroligical input data With hys Mass into GW vs. precipetation-Malmö, 24 hsoil 3 0.0015 0.001 0.0005 0 15 No hys 30 45 prec. (cm) With hys 60 68 E-3: Depth to LC versus precipitation for all soils in Malmö with half hourly, 4-hourly, and daily meteoroligical input data 2.4 1.9 1.4 0.9 0.4 15 30 45 1.2 1.1 1 0.9 0.8 0.7 0.6 0.5 0.4 60 LC depth vs precipitationMalmo, 0.5h-soil 2 Depth to LC (m) 2.9 Depth to LC (m) Depth to LC (m) LC depth vs precipitationMalmö,0.5h-soil 1 15 No hys Linear (No hys) 1.9 1.4 0.4 45 15 30 15 Linear (With hys) Linear (No hys) With hys Linear (With hys) LC depth vs precipitationMalmo, 24h-soil 1 2.4 1.9 1.4 0.9 0.4 45 No hys Linear (No hys) 45 60 No hys Linear (With hys) Linear (No hys) 1 0.9 0.8 0.7 0.6 0.5 0.4 15 Prec, (cm) No hys Linear (No hys) 30 60 60 With hys No hys Linear (With hys) Linear (No hys) 1 0.9 0.8 0.7 0.6 0.5 0.4 LC depth vs precipitationMalmo, 24h-soil 3 15 30 Prec, (cm) With hys Linear (With hys) 45 Prec, (cm) No hys Linear (No hys) 45 60 With hys 60 1.2 1.1 1 0.9 0.8 0.7 0.6 0.5 0.4 30 45 LC depth vs precipitationMalmo, 4h-soil 3 LC depth vs precipitationMalmo, 24h-soil 2 15 30 Prec, (cm) Depth to LC (m) No hys Depth to LC (m) Depth to LC (m) 0.5 Prec, (cm) Prec, (cm) With hys Linear (With hys) 0.6 60 1.2 1.1 1 0.9 0.8 0.7 0.6 0.5 0.4 60 With hys 30 0.7 LC depth vs precipitationMalmo, 4h-soil 2 0.9 15 45 Depth to LC (m) 2.4 2.9 30 With hys Linear (With hys) Depth to LC (m) Depth to LC (m) 2.9 30 0.8 Prec, (cm) LC depth vs precipitationMalmö, 4h-soil 1 15 LC depth vs precipitationMalmo, 0.5h-soil 3 0.4 Prec., cm With hys Linear (With hys) 1 0.9 No hys Linear (No hys) 45 60 Prec, (cm) With hys Linear (With hys) No hys Linear (No hys) 69 0.6 0.5 0.4 0.2 35 25 45 Prec, (cm) Linear (With hys) Linear (No hys) 1 0.5 With hys Linear (With hys) Depth of COM (m) No hys 35 Prec, (cm) No hys Linear (No hys) Depth of COM vs precipitation-Norrköping, 4h-soil 2 0.6 0.4 0.2 With hys Linear (With hys) Depth of COM vs precipitation-Norrköping, 1.5 24h-soil 1 1 0.5 0 35 Prec, (cm) With hys Linear (With hys) No hys Linear (No hys) 35 Prec, (cm) With hys Linear (With hys) 45 No hys Linear (No hys) 45 With hys No hys Linear (With hys) Linear (No hys) Depth of COM vs precipitation-Norrköping, 4h-soil 3 0.6 0.4 0.2 45 Depth of COM vs precipitation-Norrköping, 24h-soil 2 0.6 0.4 0.2 25 25 No hys Linear (No hys) 0 25 35 Prec, (cm) 0 25 45 Depth of COM (m) 25 0.2 25 0 0 0.4 45 Prec, (cm) With hys Depth of COM vs precipitation-Norrköping, 4h-soil 1 1.5 Depth of COM (m) 35 Depth of COM (m) 25 Depth of COM vs precipitation-Norrköping, 0.5h-soil 3 0.6 0 0 0 Depth of COM (m) Depth of COM (m) 1 Depth of COM vs precipitation-Norrköping, 0.5h-soil 2 35 Prec, (cm) 45 With hys No hys Linear (With hys) Linear (No hys) 35 Prec, (cm) With hys Linear (With hys) Depth of COM (m) 1.5 Depth of COM vs precipitation-Norrköping, 0.5h-soil 1 Depth of COM (m) Depth of COM (m) E-4: Depth of COM versus precipitation for all soils in Norrköping with half hourly, 4-hourly, and daily meteoroligical input data 45 No hys Linear (No hys) Depth of COM vs precipitation-Norrköping, 0.6 24h-soil 3 0.4 0.2 0 25 35 Prec, (cm) 45 With hys No hys Linear (With hys) Linear (No hys) 70 25 35 0E+00 25 45 Prec, (cm) With hys Mass into GW vs precipitation-Norrkoping, 4h-soil 1 6E-02 4E-02 2E-02 0E+00 25 35 Prec, (cm) With hys Mass into GW, (mg/cm3) 2E-02 1E-02 35.00 45.00 Prec, (cm) With hys No hys 2E-10 0E+00 25 0E+00 35 Prec, (cm) With hys 45 Prec, (cm) With hys 0E+00 25 No hys 35 Prec, (cm) With hys 0E+00 35 No hys 2E-10 No hys 5E-06 45 Mass into GW vs precipitation-Norrkoping, 4h-soil 3 4E-10 45 Mass into GW vs precipitation-Norrkoping, 24h-soil 2 1E-05 25 35 Prec, (cm) With hys 1E-05 25 Mass into GW vs precipitation-Norrkoping, 0.5h-soil 3 4E-10 No hys 2E-05 No hys 3E-02 45 Mass into GW vs precipitation-Norrkoping, 4h-soil 2 3E-05 45 Mass into GW vs precipitation-Norrkoping, 24h-soil 1 0E+00 25.00 Mass into GW, (mg/cm3) No hys Mass into GW, (mg/cm3) Mass into GW, (mg/cm3) With hys 35 Prec, (cm) Mass into GW, (mg/cm3) 0E+00 2E-05 Mass into GW, (mg/cm3) 2E-02 Mass into GW vs precipitation-Norrkoping, 0.5h-soil 2 4E-05 Mass into GW, (mg/cm3) Mass into GW vs precipitation-Norrkoping, 0.5h-soil 1 4E-02 Mass into GW, (mg/cm3) Mass into GW, (mg/cm3) E-5: Mass into GW versus precipitation for all soils in Norrköping with half hourly, 4-hourly, and daily meteoroligical input data 45 No hys Mass into GW vs precipitation-Norrkoping, 24h-soil 3 2E-11 1E-11 0E+00 25 35 45 Prec, (cm) With hys No hys 71 E-6: Depth to LC versus precipitation for all soils in Norrköping with half hourly, 4-hourly, and daily meteoroligical input data LC depth vs precipitationNorrkoping, 0.5h-soil 1 LC depth vs precipitationNorrkoping, 0.5h-soil 2 1 0.4 0.8 0.4 25 35 Prec, (cm) 45 25 With hys No hys Linear (With hys) Linear (No hys) With hys Linear (With hys) LC depth vs precipitationNorrkoping, 4h-soil 1 1.2 25 1.2 LC depth vs precipitationNorrkoping, 4h-soil 2 0.8 0.8 1.2 35 45 25 Prec, (cm) With hys Linear (With hys) No hys Linear (No hys) 35 Prec, (cm) With hys Linear (With hys) LC depth vs precipitationNorrkoping, 24h-soil 1 0.8 0.4 No hys Linear (No hys) 0.8 35 45 Prec, (cm) With hys No hys Linear (With hys) Linear (No hys) 45 With hys No hys Linear (With hys) Linear (No hys) 1.2 LC depth vs precipitationNorrkoping, 24h-soil 3 0.8 0.4 0.4 25 35 Prec, (cm) Depth to LC (m) 1.2 LC depth vs precipitationNorrkoping, 4h-soil 3 25 LC depth vs precipitationNorrkoping, 24h-soil 2 Depth to LC (m) 1.6 No hys Linear (No hys) 0.8 45 1.2 2 45 0.4 0.4 25 35 Prec, (cm) With hys Linear (With hys) No hys Linear (No hys) Depth to LC (m) 1.6 2.4 0.4 45 2 0.4 Depth to LC (m) 35 0.8 Prec, (cm) Depth to LC (m) Depth to LC (m) Depth to LC (m) Depth to LC (m) Depth to LC (m) 1.6 2.4 1.2 1.2 2.2 LC depth vs precipitationNorrkoping, 0.5h-soil 3 25 35 Prec, (cm) With hys Linear (With hys) 45 No hys Linear (No hys) 25 35 Prec, (cm) With hys Linear (With hys) 45 No hys Linear (No hys) 72 E-7: Depth of COM versus precipitation for all soils in petisträsk with half hourly, 4-hourly, and daily meteoroligical input data 0.8 0.4 0.8 0.4 0 0 With hys Linear (No hys) Linear (With hys) Depth of COM vs. precipetation-Petisträsk, 4hsoil 1 1.2 0.8 0.4 No hys Linear (No hys) 0 55 With hys Linear (With hys) Depth of COM vs. precipetation-Patisträsk, 4hsoil 2 1.2 0.8 0.4 55 Linear (With hys) 0.8 0.4 0 35 Prec. (cm) No hys Linear (No hys) No hys Linear (No hys) With hys Linear (With hys) 0.4 15 55 With hys Linear (With hys) 0.8 0.4 0 55 With hys Linear (With hys) Depth of COM vs. precipetation-Petisträsk, 4h0.8 soil 3 15 No hys Linear (No hys) 35 Prec. (cm) 55 With hys Linear (With hys) 35 Prec. (cm) No hys Linear (No hys) Depth of COM vs. precipetation-Patisträsk, 24h-soil 2 1.2 Depth of COM (m) 1.2 55 0 15 Depth of COM vs. precipetation-Petisträsk, 24 h-Sand 35 Prec. (cm) 35 Prec. (cm) No hys Linear (No hys) 55 With hys Linear (With hys) Depth of COM vs. precipetation-Petisträsk, 24h-soil 3 0.8 Depth of COM (m) With hys Linear (No hys) 15 0 15 0 35 Prec. (cm) No hys 1.6 35 0.4 Prec. (cm) No hys 15 Depth of COM (m) 15 55 Depth of COM (m) 35 Prec. (cm) Depth of COM (m) Depth of COM (m) 15 Depth of COM vs. precipetation-Petisträsk, 0.5h-soil 3 0.8 Depth of COM (m) 1.2 1.6 Depth of COM vs. precipetation-Patisträsk, 0.5h-soil 2 1.2 Depth of COM (m) Depth of COM (m) Depth of COM vs. precipetation-Patisträsk, 0.5h-soil 1 1.6 0.4 0 15 No hys Linear (No hys) 35 Prec. (cm) 55 With hys Linear (With hys) 73 15 35 prec. (cm) Mass into GW, mg/cm3 No hys 0.08 0.04 0 0.16 35 prec. (cm) 4E-04 0E+00 15 0.08 0.04 0 No hys With hys 55 1E-03 35 prec. (cm) 0E+00 0E+00 35 45 prec. (cm) With hys 55 35 prec. (cm) 55 With hys Mass into GW vs. precipetation-Petisträsk, 4hsoil 2 8E-06 4E-06 0E+00 15 With hys 4E-04 No hys 8E-06 No hys 55 8E-04 25 Mass into GW vs. precipetation-Petisträsk, 0.5h-soil 2 15 25 35 45 prec. (cm) No hys Mass into GW vs. precipetation-Petisträsk, 24h-soil 2 15 2E-05 With hys No hys 0.12 55 8E-04 With hys 35 prec. (cm) 35 prec. (cm) Mass into GW vs. precipetation-Petisträsk, 4 h1E-03 soil 2 55 Mass into GW vs. precipetation-Petisträsk, 24h-soil 1 15 15 No hys 0.12 No hys 0E+00 With hys Mass into GW vs. precipetation-Petisträsk, 4hsoil 1 0.16 15 Mass into GW, mg/cm3 55 4E-04 Mass into GW (mg/cm3) 0 8E-04 Mass into GW (mg/cm3) 0.04 1E-03 Mass into GW vs. precipetation-Petisträsk, 0.5h-soil 2 Mass into GW (mg/cm3) 0.08 Mass into GW (mg/cm3) 0.12 Mass into GW (mg/cm3) 0.16 Mass into GW vs. precipetation-Petisträsk, 0.5h-soil 1 Mass into GW (mg/cm3) Mass into GW, mg/cm3 E-8: Mass into GW versus precipitation for all soils in Petisträsk with half hourly, 4-hourly, and daily meteoroligical input data 55 With hys Mass into GW vs. precipetation-Petisträsk, 24h-soil 2 2E-05 8E-06 0E+00 15 35 prec. (cm) No hys 55 With hys 74 E-9: Depth to LC versus precipitation for all soils in Petisträsk with half hourly, 4-hourly, and daily meteoroligical input data LC depth vs precipitationPetisträsk, 0.5h-soil 1 1.6 1.5 1.2 1.2 0.8 0.4 0.7 15 35 prec. (cm) No hys Linear (No hys) 15 55 With hys Linear (With hys) With hys Linear (No hys) Linear (With hys) 15 0.7 0.8 0.4 15 35 prec. (cm) No hys Linear (No hys) 55 15 With hys Linear (With hys) 35 prec. (cm) With hys Linear (No hys) Linear (With hys) 15 0.7 15 No hys Linear (No hys) 35 prec. (cm) 55 With hys Linear (With hys) 55 With hys Linear (With hys) LC depth vs precipitationPetisträsk, 24h-soil 3 1.2 Depth to LC (m) 1.5 35 prec. (cm) No hys Linear (No hys) 1.6 Depth to LC (m) 3.1 2.3 0.4 LC depth vs precipitationPetisträsk, 24h-soil 2 LC depth vs precipitationPetisträsk, 24h-soil 1 With hys Linear (With hys) 0.8 55 No hys 55 LC depth vs precipitationPetisträsk, 4h-soil 3 1.2 Depth to LC (m) Depth to LC (m) 1.5 1.2 35 prec. (cm) No hys Linear (No hys) 1.6 2.3 0.8 0.4 55 LC depth vs precipitationPetisträsk, 4h-soil 2 3.1 Depth to LC (m) 35 prec. (cm) No hys LC depth vs precipitationPetisträsk, 4h-soil 1 Depth to LC (m) LC depth vs precipitationPetisträsk, 0.5h-soil 3 Depth to LC (m) Depth to LC (m) Depth to LC (m) 3.1 2.3 LC depth vs precipitationPetisträsk, 0.5h-soil 2 1.2 0.8 0.4 15 No hys Linear (No hys) 35 prec. (cm) 55 With hys Linear (With hys) 0.8 0.4 15 No hys Linear (No hys) 35 prec. (cm) 55 With hys Linear (With hys)
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