15 - Transport Kinetic Biodegradation
This example corresponds to the “Example 15-1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption” from the Phreeqc manual. It can be retrieved from the Phreeqc Website.
Studies
This project contains 1 Studies.
PhreeqcStudy: “study_15”
Db used: “PhreeqcImported_1” database
TITLE Example 15.--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
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PLEASE NOTE: This problem requires database file ex15.dat!!
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PRINT
-reset false
-echo_input true
-status false
SOLUTION 0 Pulse solution with NTA and cobalt
units umol/L
pH 6
C .49
O(0) 62.5
Nta 5.23
Co 5.23
Na 1000
Cl 1000
SOLUTION 1-10 Background solution initially filling column
units umol/L
pH 6
C .49
O(0) 62.5
Na 1000
Cl 1000
COPY solution 0 100 # for use later on, and in
COPY solution 1 101 # 20 cells model
END
RATES Rate expressions for the four kinetic reactions
#
HNTA-2
-start
10 Ks = 7.64e-7
20 Ka = 6.25e-6
30 qm = 1.407e-3/3600
40 f1 = MOL("HNta-2")/(Ks + MOL("HNta-2"))
50 f2 = MOL("O2")/(Ka + MOL("O2"))
60 rate = -qm * KIN("Biomass") * f1 * f2
70 moles = rate * TIME
80 PUT(rate, 1) # save the rate for use in Biomass rate calculation
90 SAVE moles
-end
#
Biomass
-start
10 Y = 65.14
20 b = 0.00208/3600
30 rate = GET(1) # uses rate calculated in HTNA-2 rate calculation
40 rate = -Y*rate -b*M
50 moles = -rate * TIME
60 if (M + moles) < 0 then moles = -M
70 SAVE moles
-end
#
Co_sorption
-start
10 km = 1/3600
20 kd = 5.07e-3
30 solids = 3.75e3
40 rate = -km*(MOL("Co+2") - (M/solids)/kd)
50 moles = rate * TIME
60 if (M - moles) < 0 then moles = M
70 SAVE moles
-end
#
CoNta_sorption
-start
10 km = 1/3600
20 kd = 5.33e-4
30 solids = 3.75e3
40 rate = -km*(MOL("CoNta-") - (M/solids)/kd)
50 moles = rate * TIME
60 if (M - moles) < 0 then moles = M
70 SAVE moles
-end
KINETICS 1-10 Four kinetic reactions for all cells
HNTA-2
-formula C -3.12 H -1.968 O -4.848 N -0.424 Nta 1.
Biomass
-formula H 0.0
-m 1.36e-4
Co_sorption
-formula CoCl2
-m 0.0
-tol 1e-11
CoNta_sorption
-formula NaCoNta
-m 0.0
-tol 1e-11
COPY kinetics 1 101 # to use with 20 cells
END
TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 10
-lengths 1
-shifts 20
-time_step 3600
-flow_direction forward
-boundary_conditions flux flux
-dispersivities .05
-correct_disp true
-diffusion_coefficient 0.0
-punch_cells 10
-punch_frequency 1
-print_cells 10
-print_frequency 5
COPY solution 101 0 # initial column solution becomes influent
END
TRANSPORT Last 55 hours with background infilling solution
-shifts 55
COPY cell 100 0 # for the 20 cell model...
COPY cell 101 1-20
END
TRANSPORT First 20 hours have NTA and cobalt in infilling solution
-cells 20
-lengths 0.5
-shifts 40
-initial_time 0
-time_step 1800
-flow_direction forward
-boundary_conditions flux flux
-dispersivities .05
-correct_disp true
-diffusion_coefficient 0.0
-punch_cells 20
-punch_frequency 2
-print_cells 20
-print_frequency 10
COPY cell 101 0
END
TRANSPORT Last 55 hours with background infilling solution
-shifts 110
END
/n
Plots
This project contains 2 Plots.
Plot 1: “Dissolved species”
Plot 2: “Sorbed species”
