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125 lines
3.4 KiB
Plaintext
125 lines
3.4 KiB
Plaintext
TITLE Example 15.--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
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***********
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PLEASE NOTE: This problem requires database file ex15.dat!!
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***********
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SOLUTION 0 Pulse solution with NTA and cobalt
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units umol/L
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pH 6
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C .49
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O(0) 62.5
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Nta 5.23
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Co 5.23
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Na 1000
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Cl 1000
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END
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SOLUTION 1-10 Background solution initially filling column # 1-20
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units umol/L
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pH 6
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C .49
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O(0) 62.5
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Na 1000
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Cl 1000
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END
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RATES Rate expressions for the four kinetic reactions
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#
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HNTA-2
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-start
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10 Ks = 7.64e-7
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20 Ka = 6.25e-6
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30 qm = 1.407e-3/3600
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40 f1 = MOL("HNta-2")/(Ks + MOL("HNta-2"))
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50 f2 = MOL("O2")/(Ka + MOL("O2"))
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60 rate = -qm * KIN("Biomass") * f1 * f2
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70 moles = rate * TIME
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80 PUT(rate, 1) # save the rate for use in Biomass rate calculation
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90 SAVE moles
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-end
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#
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Biomass
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-start
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10 Y = 65.14
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20 b = 0.00208/3600
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30 rate = GET(1) # uses rate calculated in HTNA-2 rate calculation
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40 rate = -Y*rate -b*M
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50 moles = -rate * TIME
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60 if (M + moles) < 0 then moles = -M
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70 SAVE moles
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-end
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#
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Co_sorption
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-start
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10 km = 1/3600
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20 kd = 5.07e-3
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30 solids = 3.75e3
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40 rate = -km*(MOL("Co+2") - (M/solids)/kd)
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50 moles = rate * TIME
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60 if (M - moles) < 0 then moles = M
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70 SAVE moles
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-end
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#
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CoNta_sorption
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-start
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10 km = 1/3600
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20 kd = 5.33e-4
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30 solids = 3.75e3
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40 rate = -km*(MOL("CoNta-") - (M/solids)/kd)
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50 moles = rate * TIME
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60 if (M - moles) < 0 then moles = M
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70 SAVE moles
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-end
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KINETICS 1-10 Four kinetic reactions for all cells # 1-20
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HNTA-2
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-formula C -3.12 H -1.968 O -4.848 N -0.424 Nta 1.
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Biomass
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-formula H 0.0
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-m 1.36e-4
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Co_sorption
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-formula CoCl2
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-m 0.0
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-tol 1e-11
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CoNta_sorption
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-formula NaCoNta
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-m 0.0
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-tol 1e-11
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SELECTED_OUTPUT
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-file ex15.sel
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-mol Nta-3 CoNta- HNta-2 Co+2
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USER_PUNCH
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-heading hours Co_sorb CoNta_sorb Biomass
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-start
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10 punch TOTAL_TIME/3600 + 1800/3600 # TOTAL_TIME/3600 + 900/3600
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20 punch KIN("Co_sorption")/3.75e3
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30 punch KIN("CoNta_sorption")/3.75e3
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40 punch KIN("Biomass")
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-end
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TRANSPORT First 20 hours have NTA and cobalt in infilling solution
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-cells 10 # 20
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-length 1 # 0.5
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-shifts 20 # 40
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-time_step 3600 # 1800
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-flow_direction forward
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-boundary_condition flux flux
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-dispersivity .05
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-correct_disp true
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-diffusion_coef 0.0e-9
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-punch_cells 10 # 20
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-punch_frequency 1 # 2
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-print_cells 10 # 20
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-print_frequency 5 # 10
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END
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PRINT
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-selected_out false
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SOLUTION 0 New infilling solution, same as background solution
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units umol/L
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pH 6
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C .49
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O(0) 62.5
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Na 1000
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Cl 1000
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END
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PRINT
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-selected_out true
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TRANSPORT Last 55 hours with background infilling solution
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-shifts 55 # 110
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END
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