Conceptual Models > Kinetics and rate controlling factors
Help Needed: Pyrite Not Dissolving Under Given Conditions in PHREEQC
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gmgmgm:
Dear all. I?m currently attempting to simulate the dissolution rate of pyrite under specific solution conditions. However, it seems that the pyrite does not dissolve with my current settings. I would greatly appreciate any insights or suggestions you might have regarding the possible reasons.
Thank you in advance!
--- Code: ---SOLUTION 1
temp 25
pH 2
pe 0.85
redox pe
units mmol/kgw
density 1
O(0) 0.003715352
S(6) 2.88403150
Cl 0.00000010
Fe(2) 1.737800829
Fe(3) 0.26915348
-water 1 # kg
KINETICS 1
Pyrite
-formula pyrite 1
-m 1
-m0 1
-parms 0.3 0.67 0.5 -0.11
-tol 1e-08
-steps 1 in 1 steps # seconds
-step_divide 1
-runge_kutta 3
-bad_step_max 500
USER_GRAPH 1
-headings time Delta(Pyrite)
-axis_titles "Time, seconds" "Delta, moles" ""
-initial_solutions false
-connect_simulations true
-plot_concentration_vs x
-start
10 GRAPH_X TOTAL_TIME
20 GRAPH_Y LOG10(-KIN_DELTA("Pyrite")/TOTAL_TIME)
-end
-active true
--- End code ---
dlparkhurst:
The Fe(2) in your system consumes all of the O2(aq), which results in a very small rate for pyrite dissolution. The MOL("O2") term makes the rate so small.
gmgmgm:
Thank you so much for that. I made such a rookie mistake.
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