Hi David, Something weird is going on with my phreeqc simulations. Biodegradation will work if coupled with dispersion, sorption, and/or gas phase. It will NOT work if I take those processes out. The error I'm getting is that there are negative moles in solution after transport step 9. How can there be negative moles in solution if I have the line "If Benzene <= 0 then goto 200?" I've changed the 0 to 1e-30, 1e-10, etc. and it seems that phreeqc isn't even reading that line. Any suggestions? Attached is my input file (not deck!!):) Thanks a lot, Margaret Dodds
SOLUTION 0 Pulse solution leachate #solution injected
units ppb
pH 7.0
density 1.00
temp 10.0
Benzene 13.4
Benzdp 0.0
END
SOLUTION 1-10 Background solution initially filling column
units ppb
pH 7.0
density 1.00
temp 10.0
END
SELECTED_OUTPUT
-file grid2.csv
-selected_out true
-high_precision false
# set value for all indentifiers to follow (lines 1 - 6)
-reset true
-simulation true
-state true
-solution true
-distance true
-time true
-distance true
-step true
-percent_error true
-totals Benzene Benzdp
-gases Benzene(g)
END
#SURFACE 1-128
# Surfa_sH2O 20.9 300 20.9
#GAS_PHASE 1-128
# -fixed_volume
# -volume 1.0
# Benzene(g) 0.0
# CO2(g) 0.000316
# N2(g) 0.78
# O2(g) 0.2
KINETICS 1-10
Benzene
-formula Benzene -1.0 Benzdp 1.0
# -tol 1.0E-25
-M 1.71E-7
-M0 1.71E-7
INCREMENTAL_REACTIONS true
RATES
Benzene
-start
10 Benzene = TOT("Benzene")
20 if (Benzene < 0)then goto 200
30 rate = (-2.5/(60*60*24))*Benzene #day-1 to sec-1
40 moles = rate*TIME
50 if (moles < Benzene) then moles = Benzene
200 SAVE moles
-end
TRANSPORT Pulsing of Solution 0
-cells 10
-shifts 10
-time_step 4.93E5
-flow_direction forward
-boundary_conditions flux flux
-length 10*1
-dispersivities 10*0.1
-correct_disp true
-diffusion_coefficient 0.3e-9
-stagnant 0
-thermal_diffusion 1
-initial_time 0
-print_cells 10
-print_frequency 1
-punch_cells 1-10
-punch_frequency 1
END
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