mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
93683e57ef
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2205 1feff8c3-07ed-0310-ac33-dd36852eb9cd
99 lines
2.6 KiB
Plaintext
99 lines
2.6 KiB
Plaintext
Input file: ../examples/ex12
|
|
Output file: ex12.out
|
|
Database file: ../database/phreeqc.dat
|
|
|
|
------------------
|
|
Reading data base.
|
|
------------------
|
|
|
|
SOLUTION_MASTER_SPECIES
|
|
SOLUTION_SPECIES
|
|
PHASES
|
|
EXCHANGE_MASTER_SPECIES
|
|
EXCHANGE_SPECIES
|
|
SURFACE_MASTER_SPECIES
|
|
SURFACE_SPECIES
|
|
RATES
|
|
END
|
|
------------------------------------
|
|
Reading input data for simulation 1.
|
|
------------------------------------
|
|
|
|
TITLE Example 12.--Advective and diffusive transport of heat and solutes.
|
|
Constant boundary condition at one end, closed at other.
|
|
The problem is designed so that temperature should equal Na-conc
|
|
(in mmol/kgw) after diffusion.
|
|
EXCHANGE_SPECIES
|
|
Na+ + X- = NaX
|
|
log_k 0.0
|
|
gamma 4.0 0.075
|
|
H+ + X- = HX
|
|
log_k -99.
|
|
gamma 9.0 0.0
|
|
K+ + X- = KX
|
|
log_k 0.0
|
|
gamma 3.5 0.015
|
|
SOLUTION 0 24.0 mM KNO3
|
|
units mol/kgw
|
|
temp 0 # Incoming solution 0C
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
K 24.e-3
|
|
N(5) 24.e-3
|
|
SOLUTION 1-20 0.001 mM KCl
|
|
units mol/kgw
|
|
temp 25 # Column is at 25C
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
K 1e-6
|
|
Cl 1e-6
|
|
EXCHANGE 1-20
|
|
KX 0.048
|
|
TRANSPORT # Make column temperature 0C, displace Cl
|
|
cells 20
|
|
shifts 19
|
|
flow_direction forward
|
|
bcond flux flux
|
|
length 1.0
|
|
disp 0.0 # No dispersion
|
|
diffc 0.0 # No diffusion
|
|
thermal_diffusion 1.0 # No retardation for heat
|
|
PRINT
|
|
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20.
|
|
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
|
reset false
|
|
END
|
|
SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
|
|
units mol/kgw
|
|
temp 24
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
Na 24.e-3
|
|
Cl 24.e-3
|
|
SOLUTION 20 Same as soln 0 in cell 20 at closed column end (second type boundary cond)
|
|
units mol/kgw
|
|
temp 24
|
|
pH 7.0
|
|
pe 12.0 O2(g) -0.67
|
|
Na 24.e-3
|
|
Cl 24.e-3
|
|
EXCHANGE 20
|
|
NaX 0.048
|
|
TRANSPORT # Diffuse 24C, NaCl solution from column end
|
|
shifts 1
|
|
flow_direction diffusion
|
|
bcond constant closed
|
|
thermal_diffusion 3.0 # heat is retarded equal to Na
|
|
diffc 0.3e-9 # m^2/s
|
|
timest 1.0e+10 # 317 years, 19 substeps will be used
|
|
SELECTED_OUTPUT
|
|
file ex12.sel
|
|
high_precision true
|
|
reset false
|
|
distance true
|
|
temperature true
|
|
USER_PUNCH
|
|
heading Na_mmol K_mmol Cl_mmol
|
|
10 PUNCH TOT("Na")*1000, TOT("K")*1000, TOT("Cl")*1000
|
|
END
|