研究目的
To model the photochemical fate of As(III) in paddy-field water using the APEX software, comparing it with biotic processes and assessing the effects of variables like rice canopy shading, water pH, and CDOM photochemical parameters.
研究成果
Photochemical modeling indicates that As(III) photooxidation in paddy floodwater is significant in May with half-life times of 20-30 days, primarily due to reactions with 3CDOM* and HO?, but is negligible in June and July due to rice canopy shading. At pH > 8.5, carbonate radicals could enhance oxidation if CDOM is sufficiently reactive. Photochemical processes may be slower than microbial redox processes in some cases, but under specific conditions, they could play a key role in arsenic cycling.
研究不足
The model neglects reactions with phenoxy radicals and other poorly known species due to insufficient knowledge, potentially underestimating photochemical oxidation rates. It assumes wavelength-independent light transmittance and constant water depth, which may not fully represent real conditions. The reactivity of paddy-water CDOM with carbonate anions is unknown and requires further investigation.
1:Experimental Design and Method Selection:
The study used the APEX software for photochemical modeling, which computes pseudo-first-order transformation rate constants and half-life times based on sunlight irradiance, water chemistry, and depth. The model incorporated variables such as light transmittance through the rice canopy, water pH, DOC, nitrate, nitrite, bicarbonate, and carbonate concentrations.
2:Sample Selection and Data Sources:
The model was based on literature data for paddy-water conditions, including transmittance values from La Albufera coastal lagoon (Spain) and chemical parameters from previous studies on paddy-water samples from Vercelli, Italy.
3:List of Experimental Equipment and Materials:
No physical experiments were conducted; the study relied on computational modeling with the APEX software.
4:Experimental Procedures and Operational Workflow:
Input data were set for water depth (5 cm), chemical composition (e.g., DOC ~7 mg·C·L?1, IC ~
5:1 mmol·C·L?1, nitrate, nitrite concentrations), and photochemical parameters (e.g., quantum yields for transient species). The APEX software was used to calculate steady-state concentrations of photogenerated transients and the photochemical fate of As(III), with corrections for canopy shading by multiplying kinetics by monthly transmittance values. Data Analysis Methods:
The model output included half-life times and rate constants for As(III) photooxidation, analyzed as functions of pH, DOC, nitrate, and other variables. Statistical or software-specific analysis methods were not detailed beyond the APEX computations.
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