en:lectures:ehydrology:start

Environmental Hydrology Notes

Please do research on one of the following topics:

  • Alarm models in rivers, example from Rhine and rivers (e.g. Ukraine)
  • Natural remediation - principles and applications
  • Microbiological remediation of groundwater for oil spills
  • Pump and treat of groundwater - focus on chlorinated hydrocarbons
  • Artificial wetlands - principles and case studies
  • Soil protection and remediation
  • Phosphate recovery - Pilot Plant in Hamburg
TITLE Speciate seawater is replaced by fresh water
SOLUTION 0 Fresh terrestrial Water
	  units  mmol/l
	  pH     7.0
	  Ca     1.0
        Mg    0.1
        Na    1.0
        K     1.1
	  Alkalinity 2.0 as HCO3
        S(6)   1.0
        N(5)   0.1 
	  Cl     0.2
SOLUTION 2-80 Fresh terrestrial Water
	  units  mmol/l
	  pH     7.0
	  Ca     1.0
        Mg    0.1
        Na    1.0
        K     1.1
	  Alkalinity 2.0 as HCO3
        S(6)   1.0
        N(5)   0.1 
	  Cl     0.2
SOLUTION 1  SEAWATER FROM NORDSTROM AND OTHERS (1979)
        units   ppm
        pH      8.22
#       pe      8.451
        density 1.023
        temp    25.0
        Ca              412.3 # mg/kg
        Mg              1291.8
        Na              10768.0
        K               399.1
        Alkalinity      141.682 as HCO3
        S(6)            2712.0
        N(5)            0.29    gfw   62.0
        N(-3)           0.03    as    NH4
        Cl              19353.0
        Fe              0.002
        Mn              0.0002  
        Si              4.28
EXCHANGE 1-80 
        -equilibrate  1
        X                0.1 
TRANSPORT 
        -cells           80 
        -lengths         80*5.0 
        -shifts          80 
        -time_step       86400 
        -flow_direction  forward 
        -dispersivities  80*4.0 
        -correct_disp    true 
        -punch_cells     30 
        -punch_frequency 1 
        -print_cells     40 
        -print_frequency 40 
SELECTED_OUTPUT
        -file   ex5.txt 
        -total  Ca Mg Na K Cl
	  -molalities Ca+2 HCO3- Cl-
        -si  Calcite Gypsum 
END
TITLE Seawater species
SOLUTION 0  Clean water for flushing
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Mg      5.0
        Cd      1.0
        Cl      12.0
SOLUTION 1  Pulse of polluted water with K-Alkalinity
        units   mmol/kgw
        pH      7.0
        temp    10.0
        K       100
        Cl      100
SOLUTION 2-50  Clean water in the soil (before pulse)
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Ca      100
        Alkalinity 100
EXCHANGE 1-50 
        -equilibrate 2
        X                0.0011
TRANSPORT           # Make column temperature 0C, displace Cl 
       -cells   50 
       -shifts  50 
       -flow_direction  forward 
       -boundary_conditions flux  flux 
       -lengths 50*0.1 # m
       -time_step    86400 # unit is second
       -dispersivities       50*0.1     # dispersivity is given in m 
       -punch_cells 10 # 20 30 40 50
       -punch_frequency 1
SELECTED_OUTPUT 
        -file   EHP1.txt 
        -temperature 
        -step
	-distance
        -time
        -totals Ca Mg K Cl Cd 
        -molalities CaX2 MgX2 CdX2
END

You can include sorption by using the key - word exchange. The key word has an identifier (1-40). The exchange site is called X. The capacity is in this case 0.0011.

EXCHANGE 1-40 
        -equilibrate 1 
        X                0.0011 
SURFACE 1 
     Hfo_sOH        5e-6    600.    0.09 
     Hfo_wOH        2e-4 

Hfo_SOH or Hfo_wOH is the name of the surface binding site.

5e-6 or 2e-4 in this example is the total number of sites for this binding site, in moles; applies when -sites_units is absolute (default). Could also be given as site density, in sites per square nanometer when -sites_units is density.

600. in this example is th specific area of surface, in $m^2/g$ (square meter per gram). Default is 600 $m^2 /g$.

0.09 in this example is the mass of solid for calculation of surface area, g (gram); surface area is grams times specific_area_per_gram. Default is 0 g.

Only one parameter is realy needed, the first one. The other two are optional. Without any further information the default values of 600. and 0. are assumed otherwise.

TITLE Seawater species # Please use Minteq.v4 database
SOLUTION 0  Clean water for flushing
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Mg      5.0
        Cd      1.0
        Cl      15.0
        As      1.0
 SOLUTION 1  Pulse of polluted water with K-Alkalinity
        units   mmol/kgw
        pH      7.0
        temp    10.0
        K       100
        Cl      100
SOLUTION 2-50  Clean water in the soil (before pulse)
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Ca      100
        Alkalinity 100
SURFACE 1-50 
     Hfo_sOH        5e-6    600.    0.09 
     Hfo_wOH        2e-4 
TRANSPORT           # Make column temperature 0C, displace Cl 
       -cells   50 
       -shifts  50 
       -flow_direction  forward 
       -boundary_conditions flux  flux 
       -lengths 50*0.1 # m
       -time_step    86400 # unit is second
       -dispersivities       50*0.1     # dispersivity is given in m 
       -punch_cells 10 # 20 30 40 50
       -punch_frequency 1
SELECTED_OUTPUT 
        -file   EHP1.txt 
        -temperature 
        -step
	  -distance
        -time
        -totals Ca Mg K Cl Cd As
END

Modifications to the input file, 10.5.2017:

  • Check and fix the charge balance error in solution 1
  • add -molalities for As-species in SELECTED_OUTPUT.
  • add molalities for species dissolved in water HAsO4-2 H2AsO4-
TITLE Seawater species # Please use Minteq.v4 database
SOLUTION 0  Clean water for flushing
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Mg      5.0
        Na      1.0
        Cl      8.0
        As      1.0
SOLUTION 1  Pulse of polluted water with K-Alkalinity
        units   mmol/kgw
        pH      7.0
        temp    10.0
        K       100
        Cl      100
SOLUTION 2-50  Clean water in the soil (before pulse)
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Ca      100
        Alkalinity 200
SURFACE 1-50 
     Hfo_sOH        5e-3    600.    0.5 
     Hfo_wOH        2e-3 
TRANSPORT           # Make column temperature 0C, displace Cl 
       -cells   50 
       -shifts  50 
       -flow_direction  forward 
       -boundary_conditions flux  flux 
       -lengths 50*0.1 # m
       -time_step    86400 # unit is second
       -dispersivities       50*0.1     # dispersivity is given in m 
       -punch_cells 10 # 20 30 40 50
       -punch_frequency 1
SELECTED_OUTPUT 
        -file   AsFilter.txt 
        -temperature 
        -step
	  -distance
        -time
        -totals Ca Mg K Cl As
        -molalities HAsO4-2 H2AsO4- Hfo_sHAsO4-
END

Dandi Shen has found and proposed a direct plotting from PhreeqC:

TITLE Seawater species
SOLUTION 0  Clean water for flushing
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Mg      5.0
        Cd      1.0
        Cl      12.0
SOLUTION 1  Pulse of polluted water with K-Alkalinity
        units   mmol/kgw
        pH      7.0
        temp    10.0
        K       100
        Cl      100
SOLUTION 2-50  Clean water in the soil (before pulse)
        units   mmol/kgw
        pH      7.0
        temp    10.0
        Ca      100
        Alkalinity 100
TRANSPORT           # Make column temperature 0C, displace Cl
       -cells   50
       -shifts  50
       -flow_direction  forward
       -boundary_conditions flux  flux
       -lengths 50*0.1 # m
       -time_step    86400 # unit is second
       -dispersivities       50*0.1     # dispersivity is given in m
       -punch_cells 10 # 20 30 40 50
       -punch_frequency 1
SELECTED_OUTPUT
        -file   EHP1.txt
        -temperature
        -step
        -distance
        -time
        -totals Ca Mg K Cl Cd
USER_GRAPH total Ca with cells
-headings Ca Mg Cd
-axis_titles "Cell number" "Mg and Cd in mmol" "Ca in mmol"
-chart_title "Bla"
-axis_scale x_axis 0 46 10 1
-axis_scale y_axis 0 0.01 0.0005 0
-axis_scale sy_axis 0 0.1 0.005 0
-initial_solutions false
-connect_simulations true
-start
10 x = step_no
20 plot_xy x-4, tot("Ca"), color = Red, symbol = Square, symbol_size = 6, y-axis = 2  
30 plot_xy x-4, tot("Mg"), color = Blue, symbol = Square, symbol_size = 6, y-axis = 1        
40 plot_xy x-4, tot("Cd"), color = Green, symbol = Square, symbol_size = 6, y-axis = 1              
-end
END
REACTION 1
        CH2O(NH3)0.07     1.0
        1. 2. 3. 4. 8. 16. 32.0 64 125.00 250. 500. 1000. mmol

The following problem is to be solved. In the city of Lübeck there is a polluted site 800 m from the river Trave. You should model the transport from the polluted site to the river and answer the questions:

  1. when does the pollutant reach the river?
  2. what is the concentration at the inflow to the river Trave?

The following analyses are available: Unpolluted infiltration water infiltrating at the site

TITLE Infiltrating water
SOLUTION 1 Infiltrate
    units         mg/l
    pH            5.5   
    temp          10.0
    Ca            2.5
    Mg            0.215
    Na            0.705
    K             0.18
    C(4)          7.5 as HCO3-
    S(6)          5.0 as SO4
    N(5)          1.18 as NO3
    Cl            1.18
END
TITLE Groundwater upstream
SOLUTION 1    Groundwater
	units         mg/l
	temp          10.0
	pH            8.22 
	Ca            33.3
	Mg            3.5
	K             1.5
	Na            7.5
        C(4)          85.0  as HCO3-  
	S(6)          10.8  as SO4-2
	Cl            11.8  
	N(5)          14.5  as NO3-
 	Fe            0.02
END

The exchanger X has a capacity of 0.005 mol. The exchanger is in equilibrium with the original unpolluted groundwater.

  • Group 1: Model a pollution with 5 mg/L Cu in recharge water.
  • Group 2: Model a pollution with 5 mg/L Cd in infiltration water.
  • Group 3: Model a pollution with 5 mg/L Pb in infiltration water.
  • Group 4: Model a pollution with 5 mg/L Cr in infiltration water.
4.2.1 Breakthrough Curves

When do the contaminants reach the river?

4.2.2 Concentration

Which concentrations do you observe?

4.2.3 Distribution

Which species are on the exchanger and at what concentration.

4.2.4 Surface complexation

What would surface complexation do?

Please submit the report until 15. 09. 2018. Please prepare a 5 to 7 pages report for the assignment with introduction, problem statement, methodology and major results in a graph and/or table and conclusions.

Use can use this template: (Word)

  1. Appelo, C. Anthony J., and Dieke Postma. Geochemistry, groundwater and pollution. CRC press, 2004.
  2. Merkel, Broder J., and Britta Planer-Friedrich. Grundwasserchemie: praxisorientierter Leitfaden zur numerischen Modellierung von Beschaffenheit, Kontamination und Sanierung aquatischer Systeme. Springer-Verlag, 2008.
  • en/lectures/ehydrology/start.txt
  • Last modified: 2019/02/08 10:54
  • by ckuells