Modeling of Sulfur and Iron Dynamics in Enclosed Bay Sediments and Evaluation of the Suppression Effect on Sulfide Release by Iron
Abstract
:1. Introduction
2. Materials and Methods
2.1. Study Area
2.2. Experiments on Sulfide Release
2.3. Experiment on Sulfide Production Rate
2.4. Construction of Sediment Model
2.4.1. Production and Consumption
2.4.2. Boundary Condition
2.4.3. Reproduction of Field Observations
2.4.4. Reproduction of Experiment on Sulfide Release
3. Results
3.1. Reproduction of Field Observations
3.2. Reproduction of Sulfide Release Experiment
3.3. Experiment on Sulfide Production Rate
4. Discussion
4.1. Analysis of Sulfide Production Rate
4.2. Annual Cycle of Iron and Sulfur
4.3. Effect of Iron Curtain
8FeS + 18O2 + 12H2O → 8FeOOH + 8SO42− + 16H+
4.4. Model Setting Conditions
4.4.1. Improvement in the Reproduction Accuracy of Field Sediments
4.4.2. Reaction of Iron Materials with Sulfides
5. Conclusions
- In the sulfide production-rate experiment, we calculated the rate based on its concentration in the sediment cores during the summer months. This rate tends to increase in the upper layers over time. However, the reproducibility of the model remains an issue.
- Our model, which was developed by focusing on sulfur and iron dynamics, was able to reproduce the vertical concentration distributions of the major substances in the sediments and their seasonal trends.
- By reproducing the sulfide-release experiment, our model could reproduce the effects of and differences in the amount, type, and time of addition of iron materials.
- Predictive calculations for the addition of iron materials to the sediments, particularly during the summer season when the release was most prevalent, allowed us to quantify the difference in the amount of H2S released with and without the addition of iron materials in terms of fluxes.
- Comparing the cases with and without the addition of iron material, the addition of iron material suppressed H2S release by 14 mmol/m2/d and increased the reaction with FeOOHA by 87.1 mmol/m2/d.
- There are some prospects for this work, such as the seasonal variations in the boundary conditions, inflow of iron from the rivers, the rate equations for the reaction of H2S with iron and other candidate materials used in the experiments, and the dependence of the rate constants on the reaction conditions.
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
Appendix A
Parameter | Value *1 | Unit | Source *2 | |
---|---|---|---|---|
Diffusivity in free water | DO | 11.7 + 0.334T + 0.00505T2 | cm2/s | 5 |
NO3− | 9.72 + 0.365T | cm2/s | 5 | |
H2S | 8.74 + 0.264T + 0.004T2 | cm2/s | 5 | |
SO42− | 4.96 + 0.226T | cm2/s | 5 | |
NH4+ | 9.76 + 0.398T | cm2/s | 5 | |
Mn2+ | 3.04 + 0.153T | cm2/s | 5 | |
Fe2+ | 3.36 + 0.148T | cm2/s | 5 | |
PO43− | 9.76 + 0.398T | cm2/s | 5 | |
Biodiffusivity | Particle | 3.51 × 10−6 | cm2/s | 5 |
Dissolved | 2.8 × 10−7 | cm2/s | 5 | |
Q10 | Primary | 3.8 | - | 5 |
Secondary | 2.0 | - | 5 | |
Adsorption | NH4+ | 2.2 | cm3/g | 5 |
Mn2+ | 13 | cm3/g | 5 | |
Fe2+ | 500 | cm3/g | 5 | |
PO43− | 2.0 | cm3/g | 5 | |
Existence ratio to carbon | C/N | 8 | - | 5 |
C/P | 80 | - | 5 | |
Reaction rate | R6 | 2.5 × 10−6 | /µM/s | 5 |
R7 | 5.0 × 10−14 | /s | 12 | |
R8 | 7.5 × 10−11 | /µM/s | 11 | |
R9 | 1.5 × 10−5 | /µM/s | 5 | |
R10 | 2.0 × 10−7 | /µM/s | 12 | |
R11 | 5.0 × 10−4 | /µM/s | 5 | |
R12 | 3.0 × 10−9 | /µM/s | 5 | |
R13 | 3.75 × 10−5 | /µM/s | 12 | |
R14 | 3.0 × 10−12 | cm3/nmol/s | 12 | |
R15 | 7.5 × 10−12 | /µM/s | 12 | |
R16 | 5.0 × 10−5 | /µM/s | 5 | |
R17 | 6.0 × 10−7 | /µM/s | 5 | |
R18 | 1.6 × 10−8 | /µM/s | 5 | |
R19 | 7.0 × 10−7 | /s | 5 | |
R20 | 1.3 × 10−9 | /s | 11 | |
R21 | 9.0 × 10−10 | /s | 5 |
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June | July | August | September |
---|---|---|---|
control (3) * | control (3) | control (3) | control (3) |
Fe2O3 0.41 g (1) 0.85 g (1) 1.61 g (1) | Fe2O3 5 g (3) | Fe2O3 5 g (3) | Fe2O3 5 g (3) FeOOH 5.6 g (3) |
Dissolved | Particulate | ||
---|---|---|---|
No Adsorption | Adsorption | ||
DO | NH4+ | S0 | MnO2 |
NO3− | Mn2+ | FeS2 | FeOOH |
H2S | Fe2+ | FeS | FeOOH≡PO43− |
SO42− | PO43− | POC |
Symbol | Parameter | Unit |
---|---|---|
concentration | dissolved: nmol/cm3 (wat) * particle: nmol/g (dry) | |
time | s | |
vertical coordinates | cm (sed) | |
porosity | cm3 (wat)/cm3 (sed) | |
sedimentation rate | cm (sed)/s | |
density | g (dry)/cm3 (dry) | |
adsorption coefficient | cm2 (wat)/g (dry) | |
biodiffusivity of solutes | cm2 (sed)/s | |
biodiffusivity of solids | cm2 (sed)/s | |
sediment diffusivity | cm2 (sed)/s | |
production and consumption | nmol/cm3 (sed)/s | |
particulate = 0, dissolved = 1 | ||
particulate or dissolved with adsorption = 1 dissolved without adsorption = 0 |
Primary Reactions | |
O2 + CH2O → CO2 + H2O | (R1) |
4NO3− + 5CH2O + 4H+ → 2N2 + 5CO2 + 7H2O | (R2) |
2MnO2 + CH2O + 8H+ → 2Mn2+ +CO2 + 3H2O | (R3) |
4FeOOH + CH2O + 8H+ → 4Fe2+ + CO2 +7 H2O | (R4) |
SO42− + 2CH2O + 2H+ → H2S + 2CO2 + 2H2O | (R5) |
Secondary Reactions | |
NH4+ + 2O2 → NO3− + H2O + 2H+ | (R6) |
FeOOH + PO43− → FeOOH≡PO43− | (R7) |
2Fe2+ + MnO2 + 2H2O → 2FeOOH + Mn2+ + 2H+ | (R8) |
2Mn2+ + O2 + 2H2O → 2MnO2 + 4H+ | (R9) |
H2S + 2FeOOH≡PO43− + 4H+ → S0 + 2Fe2+ + 4H2O + 2PO43− | (R10a) |
4Fe2+ + O2 + 6H2O → 4FeOOH + 8H+ | (R11) |
H2S + 2FeOOH + 4H+ → S0 + 2Fe2+ + 4H2O | (R10b) |
H2S + MnO2 + 4H+ → S0 + Mn2+ + 2H2O | (R12) |
H2S + Fe2+ → FeS + 2H+ | (R13) |
FeS + S0 → FeS2 | (R14) |
SO42− + 3H2S + 4FeS + 2H+ → 4FeS2 + 4H2O | (R15) |
H2S + 2O2 → SO42− + 2H+ | (R16) |
FeS + 2O2 → Fe2+ + SO42− | (R17) |
2FeS2 + 7O2 + 2H2O → 2Fe2+ + 4SO42 + 4H+ | (R18) |
4S0 + 4H2O → 3H2S + SO42− + 2H+ | (R19) |
MnO2A → MnO2B | (R20) |
FeOOHA → FeOOHB | (R21) |
FeSA → FeSB | (R22) |
Parameter | Value | Unit | Source *1 | |
---|---|---|---|---|
porosity | Figure 6a | - | 19 | |
density | 2.69 | g (dry)/cm3 | ||
sedimentation rate | 0.5 | cm (sed)/year | ||
total POC flux | Figure 6b | mg/m2/d | 23 | |
POC ratio (f:s:n) | 1:2:7 | - | ||
decomposition rate | POCf | 1.4 × 10−7 | /s | 12 |
POCs | 1.4 × 10−8 | /s | 12 | |
POCn | 1.4 × 10−10 | /s | 12 | |
flux (B.C.) *2 | MnO2 | 2.0 × 10−2 | mmol/m2/d | 11 |
FeOOH | 1.8 | mmol/m2/d | 11 | |
MnO2A/MnO2B | 0.5 | - | 5 | |
FeOOHA/FeOOHB | 0.5 | - | 5 | |
concentration (B.C.) | SO42− | 2500 | mmol/cm3 (wat) | 5 |
H2S | 0 | mmol/cm3 (wat) | 5 | |
DO | Figure 6b | mg/L (wat) | 19 | |
NO3− | 0.01 | mmol/cm3 (wat) | 5 | |
NH4+ | 0.09 | mmol/cm3 (wat) | 5 | |
PO4−P | Figure 6b | mg/L (wat) | 24 | |
Mn2+ | 0 | mmol/cm3 (wat) | 5 | |
Fe2+ | 0 | mmol/cm3 (wat) | 5 | |
reaction rate (R22) | 2.5 × 10−9 | /s | ||
water temperature | Figure 6b | °C | 19 |
Parameter | Value | Unit | Source * | |
---|---|---|---|---|
Reaction rate | (R23) | 2.5 × 10−9 | µM/s | - |
(R24) | 2.5 × 10−8 | µM/s | - | |
Water temperature | (June) | 20.3 | °C | 9,10 |
(July) | 21.7 | °C | 9,10 | |
(August) | 25.7 | °C | 9,10 | |
(September) | 24.0 | °C | 9,10 |
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Mochida, F.; Miyatsuji, T.; Nakamura, Y.; Inoue, T. Modeling of Sulfur and Iron Dynamics in Enclosed Bay Sediments and Evaluation of the Suppression Effect on Sulfide Release by Iron. Water 2023, 15, 2366. https://doi.org/10.3390/w15132366
Mochida F, Miyatsuji T, Nakamura Y, Inoue T. Modeling of Sulfur and Iron Dynamics in Enclosed Bay Sediments and Evaluation of the Suppression Effect on Sulfide Release by Iron. Water. 2023; 15(13):2366. https://doi.org/10.3390/w15132366
Chicago/Turabian StyleMochida, Fumika, Takashi Miyatsuji, Yoshiyuki Nakamura, and Tetsunori Inoue. 2023. "Modeling of Sulfur and Iron Dynamics in Enclosed Bay Sediments and Evaluation of the Suppression Effect on Sulfide Release by Iron" Water 15, no. 13: 2366. https://doi.org/10.3390/w15132366
APA StyleMochida, F., Miyatsuji, T., Nakamura, Y., & Inoue, T. (2023). Modeling of Sulfur and Iron Dynamics in Enclosed Bay Sediments and Evaluation of the Suppression Effect on Sulfide Release by Iron. Water, 15(13), 2366. https://doi.org/10.3390/w15132366