Enhanced Two Dimensional Hydrodynamic and Water Quality Model (CE-QUAL-W2) for Simulating Mercury Transport and Cycling in Water Bodies
Abstract
:1. Introduction
2. Hg Simulation Module within CE-QUAL-W2
2.1. Hg Partitioning
2.2. Hg Transformations and Kinetic Equations
2.3. Enhanced CE-QUAL-W2 Model
3. Enhanced CE-QUAL-W2 Model Validation and Evaluation
3.1. Model Validation through Comparing WASP Model Results
3.2. Application and Evaluation of the Enhanced W2 Model
3.2.1. Study Area
3.2.2. Model Development and Calibration
3.2.3. Results and Discussion
4. Summary and Conclusions
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Symbol | Definition | Units |
---|---|---|
Hg0 | Hg0 concentration in water | ng·L−1 |
HgII | Concentration of total HgII in water | ng·L−1 |
HgIId | Concentration of dissolved HgII in water | ng·L−1 |
HgIIdoc | Concentration of DOC adsorbed HgII in water | ng·L−1 |
HgIIpom | Concentration of POM adsorbed HgII in water | ng·L−1 |
HgIIpt | Total concentration of solids adsorbed HgII in water | ng·L−1 |
HgIIpts | Total concentration of solids adsorbed HgII in water | ng·g−1 |
HgII2 | Concentration of total HgII in sediment | ng·L−1 |
HgIIdp2 | Concentration of dissolved HgII in pore water | ng·L−1 |
HgIIdocp2 | Concentration of DOC adsorbed HgII in pore water | ng·L−1 |
HgIIpom2 | Concentration of POM adsorbed HgII in sediment | ng·L−1 |
HgIIpt2 | Total concentration of solids adsorbed HgII in sediment | ng·L−1 |
HgIIpts2 | Total concentration of solids adsorbed HgII in sediment | ng·g−1 |
MeHg | Concentration of total MeHg in water | ng·L−1 |
MeHgd | Concentration of dissolved MeHg in water | ng·L−1 |
MeHgdoc | Concentration of DOC adsorbed MeHg in water | ng·L−1 |
MeHgpom | Concentration of POM adsorbed MeHg in water | ng·L−1 |
MeHgpt | Total concentration of solids adsorbed MeHg in water | ng·L−1 |
MeHgpts | Total concentration of solids adsorbed MeHg in water | ng·g−1 |
MeHg2 | Concentration of total MeHg in sediment | ng·L−1 |
MeHgdp2 | Concentration of dissolved MeHg in pore water | ng·L−1 |
MeHgdocp2 | Concentration of DOC adsorbed MeHg in pore water | ng·L−1 |
MeHgpom2 | Concentration of POM adsorbed MeHg in sediment | ng·L−1 |
MeHgpt2 | Concentration of solids adsorbed MeHg in sediment | ng·L−1 |
MeHgpts2 | Concentration of solids adsorbed MeHg in sediment | ng·g−1 |
Symbol | Definition | Units |
---|---|---|
CL | cloud cover | / |
DOC | dissolved organic carbon in water | mg·L−1 |
DOC2 | dissolved organic carbon in pore water | mg·L−1 |
fd | fraction of dissolved phase in water | / |
fdoc | fraction of DOC adsorbed phase in water | / |
fd2 | fraction of dissolved phase in sediment | / |
fdoc2 | fraction of DOC adsorbed phase in sediment | / |
fpom | fraction of POM adsorbed phase in water | / |
Fpom2 | fraction of POM adsorbed phase in sediment | / |
fpn | fraction of inorganic solid “n” adsorbed phase in water | / |
fpn2 | fraction of inorganic solid “n” adsorbed phase in sediment | / |
h | water depth | m |
h2 | sediment layer thickness | m |
Hg00 | air concentration of Hg0 | ng·L−1 |
i | either HgII or MeHg | / |
I0 | solar radiation at the water surface | W·m−2 |
I0pht | light intensity when kpht is measured | W·m−2 |
k12 | Hg0 oxidation rate in water | d−1 |
kd21 | photoreduction rate of dissolved HgII in water | d−1 |
kdoc21 | photoreduction rate of DOC adsorbed HgII in water | d−1 |
kd23 | methylation rate of dissolved HgII in water | d−1 |
kdoc23 | methylation rate of DOC adsorbed HgII in water | d−1 |
kd31 | photolytic degradation rate of dissolved MeHg in water | d−1 |
kdoc31 | photolytic degradation rate of DOC adsorbed MeHg in water | d−1 |
kd32 | demethylation rate of dissolved MeHg in water | d−1 |
kdoc32 | demethylation rate of DOC adsorbed MeHg in water | d−1 |
kd32-2 | dissolved MeHg demethylation rate in sediment | d−1 |
kso42 | sediment sulfate reduction rate | d−1 |
KH | Henry’s law constant | Pa·m3·mol−1 |
Kdoc | equilibrium partition coefficient for DOC in water | L·kg−1 |
Kdoc2 | equilibrium partition coefficient for sediment DOC | L·kg−1 |
Kpom | equilibrium partition coefficient for POM in water | L·kg−1 |
Kpom2 | equilibrium partition coefficient for sediment POM | L·kg−1 |
Kpn | equilibrium partition coefficient for inorganic solids in water | L·kg−1 |
Kpn2 | equilibrium partition coefficient for sediment solids “n” | L·kg−1 |
KSO4 | half-saturation constant for the effect of sulfate on methylation | mg-O2·L−1 |
LHgII | atmospheric deposition rates of HgII | μg·m−2·d−1 |
LMeHg | atmospheric deposition rates of MeHg | μg·m−2·d−1 |
mn | inorganic solid “n” concentration in water | mg·L−1 |
mn2 | inorganic solid “n” concentration in sediment | mg·L−1 |
MeHg0 | air concentration of MeHg | ng·L−1 |
POM | particulate organic matter in water | mg L−1 |
POM2 | particulate organic matter in sediment | mg·L−1 |
rmso4 | ratio of sediment methylation rate and sulfate reduction rate | L·mg−1 |
R | universal gas constant | Pa·m3·mol−1·K−1 |
SO42 | sediment pore water sulfate concentration | mg-O2·L−1 |
SSHg0 | source/sink terms of Hg0 in water | μg·L−1·d−1 |
SSHgII | source/sink terms of HgII in water | μg·L−1·d−1 |
SSMeHg | source/sink terms of MeHg in water | μg·L−1·d−1 |
SSHgII2 | source/sink terms of HgII in sediment | μg·L−1·d−1 |
SSMeHg2 | source/sink terms of MeHg in sediment | μg·L−1·d−1 |
Twk | water temperature | K |
Y12 | Hg0 oxidation yield coefficient | g·g−1 |
Y21 | HgII photoreduction yield coefficient | g·g−1 |
Y23 | HgII methylation yield coefficient | g·g−1 |
Y31 | MeHg photolytic degradation yield coefficient | g·g−1 |
Y32 | MeHg demethylation yield coefficient | g·g−1 |
ϕ | porosity | / |
λmax | maximum light extinction coefficient | m−1 |
vv-Hg0 | volatilization velocity of Hg0 | m·d−1 |
vv-MeHg | volatilization velocity of MeHg | m·d−1 |
vb | sediment burial velocity | m·d−1 |
vpn | settling velocity of inorganic solid “n” | m·d−1 |
vrn | sediment resuspension velocity of solid “n” | m·d−1 |
vsom | settling velocity of POM | m·d−1 |
Variable | Units | Value |
---|---|---|
Kp-HgII Kpom-HgII Kp-MeHg Kpom-MeHg | L·kg−1 L·kg−1 L·kg−1 L·kg−1 | 2.0 × 103 (Silt and fine), 1.0 × 103 (Sand) 1.0 × 104 |
1.0 × 103 (Silt and fine), 0.5 × 103 (Sand) 0.5 × 104 | ||
KH-Hg0 | atm·m3·mol−1 | 0.0071 |
vv-Hg0 | m·d−1 | 0.8 |
Hg00 | ng·L−1 | 0.0 |
k12 | d−1 | 0.001 |
Y12 | g·g−1 | 1.0 |
kd21 | d−1 | 0.01 |
Y21 | g·g−1 | 1.0 |
I0pht | W·m−2 | 100.0 |
kd23 | d−1 | 0.002 |
Y23 | g·g−1 | 1.07 |
kd32 | d−1 | 0.04 |
kd23_2 | d−1 | 0.01 |
kd31 | d−1 | 0.01 |
Y31 | g·g−1 | 0.93 |
kd32_2 | d−1 | 0.005 |
Y32 | g·g−1 | 0.93 |
Reach Number | Reach Name | Length (m) | Slope | Remark |
---|---|---|---|---|
1 | R450 | 646 | 0.17301 | Hg tailing |
2 | R500 | 2675 | 0.04434 | Hg tailing |
3 | R320 | 4687 | 0.02238 | Mainstem |
4 | R410 | 3388 | 0.02766 | Mainstem |
5 | R180 | 6813 | 0.01000 | Mainstem |
6 | R20 | 2017 | 0.01000 | Mainstem |
7 | R440 | 5688 | 0.03769 | Tributary |
8 | R50 | 7353 | 0.02745 | Tributary |
W2 model Segment No. | TSS (mg·L−1) | TSS (mg·L−1) | ||
---|---|---|---|---|
4 September 2007 | 8 August 2008 | |||
Modelled | Observed | Modelled | Observed | |
5 | 1.75 | 1.7 | 4.26 | 4.4 |
22 | 0.7 | 0.76 | 1.95 | 2 |
36 | 0.55 | 0.44 | 2.15 | 2.2 |
51 | 0.55 | 0.7 | 2.14 | 2.1 |
Kd for Fine Solids/Kd for Coarse Solids | 102 | 103 | 104 | 105 | 106 |
---|---|---|---|---|---|
104 | 33.47 | 30.95 | 29.54 | 29.26 | 32.79 |
105 | 29.16 | 26.30 | 24.68 | 24.37 | 27.97 |
106 | 18.53 | 14.23 | 11.75 | 12.29 | 15.42 |
107 | 39.06 | 35.03 | 32.67 | 32.20 | 38.84 |
M/D | 10−2 | 10−1 | 1 |
---|---|---|---|
10−1 | 15.98 | 28.45 | 25.06 |
10−2 | 11.81 | 9.93 | 13.37 |
10−3 | 12.20 | 14.14 | 19.53 |
10−4 | 12.69 | 14.65 | 20.18 |
10−5 | 14.27 | 16.10 | 20.24 |
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Zhu, S.; Zhang, Z.; Liu, X. Enhanced Two Dimensional Hydrodynamic and Water Quality Model (CE-QUAL-W2) for Simulating Mercury Transport and Cycling in Water Bodies. Water 2017, 9, 643. https://doi.org/10.3390/w9090643
Zhu S, Zhang Z, Liu X. Enhanced Two Dimensional Hydrodynamic and Water Quality Model (CE-QUAL-W2) for Simulating Mercury Transport and Cycling in Water Bodies. Water. 2017; 9(9):643. https://doi.org/10.3390/w9090643
Chicago/Turabian StyleZhu, Senlin, Zhonglong Zhang, and Xiaobo Liu. 2017. "Enhanced Two Dimensional Hydrodynamic and Water Quality Model (CE-QUAL-W2) for Simulating Mercury Transport and Cycling in Water Bodies" Water 9, no. 9: 643. https://doi.org/10.3390/w9090643