Modelling the photochemistry of imazethapyr in rice paddy water

Carena, Luca; Vione, Davide

doi:10.1016/j.scitotenv.2018.06.324

Cited by 8 publications

(2 citation statements)

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“…The values of k f , k d , and k d ′ were modeled with the APEX software . APEX can model the direct and indirect photochemistry of pollutants in well-mixed surface waters, such as the whole water column of lakes during overturn, the lake epilimnion during summer stratification, and even shallow systems like flooded rice fields . APEX modeling requires knowledge of key environmental features of the water body [contents of dissolved organic carbon (DOC), nitrate, nitrite, carbonate, and bicarbonate, as well as water depth] and of photoreactivity parameters of the pollutant(s) under consideration.…”

Section: Materials and Methodsmentioning

confidence: 99%

“… 43 APEX can model the direct and indirect photochemistry of pollutants in well-mixed surface waters, such as the whole water column of lakes during overturn, the lake epilimnion during summer stratification, and even shallow systems like flooded rice fields. 44 APEX modeling requires knowledge of key environmental features of the water body [contents of dissolved organic carbon (DOC), nitrate, nitrite, carbonate, and bicarbonate, as well as water depth] and of photoreactivity parameters of the pollutant(s) under consideration. The latter include direct photolysis quantum yields, second-order rate constants for the reactions with the different PPRIs ( • OH, 1 O 2 , and 3 CDOM*), and, for IBAP as an intermediate, formation yields from IBP in the different reaction pathways.…”

Section: Materials and Methodsmentioning

confidence: 99%

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Evaluation of the Environmental Fate of a Semivolatile Transformation Product of Ibuprofen Based on a Simple Two-Media Fate Model

Arsene

Bejan

Roman

et al. 2022

Environ. Sci. Technol.

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Partitioning between surface waters and the atmosphere is an important process, influencing the fate and transport of semi-volatile contaminants. In this work, a simple methodology that combines experimental data and modeling was used to investigate the degradation of a semi-volatile pollutant in a two-phase system (surface water + atmosphere). 4-Isobutylacetophenone (IBAP) was chosen as a model contaminant; IBAP is a toxic transformation product of the non-steroidal, anti-inflammatory drug ibuprofen. Here, we show that the atmospheric behavior of IBAP would mainly be characterized by reaction with •OH radicals, while degradation initiated by •NO3 or direct photolysis would be negligible. The present study underlines that the gas-phase reactivity of IBAP with •OH is faster, compared to the likely kinetics of volatilization from aqueous systems. Therefore, it might prove very difficult to detect gas-phase IBAP. Nevertheless, up to 60% of IBAP occurring in a deep and dissolved organic carbon-rich water body might be eliminated via volatilization and subsequent reaction with gas-phase •OH. The present study suggests that the gas-phase chemistry of semi-volatile organic compounds which, like IBAP, initially occur in natural water bodies in contact with the atmosphere is potentially very important in some environmental conditions.

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Section: Materials and Methodsmentioning

confidence: 99%

Section: Materials and Methodsmentioning

confidence: 99%