Plasma degradation of water organic pollutants: Ab initio molecular dynamics simulations and experiments

被引：1

作者：

Brault, Pascal ^{[1
]}

Bilea, Florin ^{[2
]}

Magureanu, Monica ^{[2
]}

Bradu, Corina ^{[3
]}

Aubry, Olivier ^{[1
]}

Rabat, Herve ^{[1
]}

Hong, Dunpin ^{[1
]}

机构：

[1] Univ Orleans, GREMI, CNRS, 14 Rue Issoudun, F-45067 Orleans, France

[2] Natl Inst Lasers Plasma & Radiat Phys, Dept Plasma Phys & Nucl Fus, Bucharest, Romania

[3] Univ Bucharest, Fac Biol, Dept Syst Ecol & Sustainabil, Bucharest, Romania

来源：

PLASMA PROCESSES AND POLYMERS | 2023年 / 20卷 / 11期

关键词：

ab initio molecular dynamics; antibiotics; cold atmospheric plasma; phenol; plasma oxidation; reactive molecular dynamics; SMX; sulfamethoxazole; tandem mass spectrometry; wastewater treatment; SULFAMETHOXAZOLE DEGRADATION; SULFONAMIDE ANTIBIOTICS; NONTHERMAL PLASMA; PHARMACEUTICALS; OZONATION; REMOVAL; SYSTEMS;

D O I：

10.1002/ppap.202300116

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Ab initio molecular dynamics simulations and experiments were carried out to study the interaction between plasma-produced hydroxyl radicals and organic pollutant molecules in wastewater. The simulation method was validated on the degradation products of phenol and further applied to the more complex molecule of sulfamethoxazole (SMX). The comparison with experimentally detected intermediate products obtained during plasma treatment of SMX solutions confirms the hydroxylation of the benzene and isoxazole rings observed in some of the simulations.

引用

页数：9

共 47 条

[1] Photocatalytic degradation of sulfamethoxazole in aqueous suspension of TiO2
Abellan, M. N.
Bayarri, B.
Gimenez, J.
Costa, J.
[J]. APPLIED CATALYSIS B-ENVIRONMENTAL, 2007, 74 (3-4) : 233 - 241
[2] Combining ultrafiltration and non-thermal plasma for low energy degradation of pharmaceuticals from conventionally treated wastewater
Back, Jan O.
Obholzer, Thomas
Winkler, Karl
Jabornig, Simon
Rupprich, Marco
[J]. JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2018, 6 (06): : 7377 - 7385
[3] Characterization of the chemical activity of a pulsed corona discharge above water
Bilea, F.
Bradu, C.
Mandache, N. B.
Magureanu, M.
[J]. CHEMOSPHERE, 2019, 236
[4] Removal of a mixture of antibiotics in water using nonthermal plasma
Bilea, Florin
Tian, Tian
Magureanu, Monica
Rabat, Herve
Antoissi, Mohamed-Ali
Aubry, Olivier
Hong, Dunpin
[J]. PLASMA PROCESSES AND POLYMERS, 2023, 20 (08)
[5] Towards an integrated modeling of the plasma-solid interface
Bonitz, Michael
Filinov, Alexey
Abraham, Jan-Willem
Balzer, Karsten
Kaehlert, Hanno
Pehlke, Eckhard
Bronold, Franz X.
Pamperin, Matthias
Becker, Markus
Loffhagen, Dettlef
Fehske, Holger
[J]. FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING, 2019, 13 (02) : 201 - 237
[6] Degradation of the chlorophenoxyacetic herbicide 2,4-D by plasma-ozonation system
Bradu, C.
Magureanu, M.
Parvulescu, V. I.
[J]. JOURNAL OF HAZARDOUS MATERIALS, 2017, 336 : 52 - 56
[7] Insight into acetylene plasma deposition using molecular dynamics simulations
Brault, Pascal
Ji, Marisol
Sciacqua, Dario
Poncin-Epaillard, Fabienne
Berndt, Johannes
Kovacevic, Eva
[J]. PLASMA PROCESSES AND POLYMERS, 2022, 19 (01)
[8] Insight into plasma degradation of paracetamol in water using a reactive molecular dynamics approach
Brault, Pascal
Abraham, Mado
Bensebaa, Aida
Aubry, Olivier
Hong, Dunpin
Rabat, Herve
Magureanu, Monica
[J]. JOURNAL OF APPLIED PHYSICS, 2021, 129 (18)
[9] SUMMARY REVIEW OF THE HEALTH-EFFECTS ASSOCIATED WITH PHENOL
BRUCE, RM
SANTODONATO, J
NEAL, MW
[J]. TOXICOLOGY AND INDUSTRIAL HEALTH, 1987, 3 (04) : 535 - 568
[10] Plasma-liquid interactions: a review and roadmap
Bruggeman, P. J.
Kushner, M. J.
Locke, B. R.
Gardeniers, J. G. E.
Graham, W. G.
Graves, D. B.
Hofman-Caris, R. C. H. M.
Maric, D.
Reid, J. P.
Ceriani, E.
Rivas, D. Fernandez
Foster, J. E.
Garrick, S. C.
Gorbanev, Y.
Hamaguchi, S.
Iza, F.
Jablonowski, H.
Klimova, E.
Kolb, J.
Krcma, F.
Lukes, P.
Machala, Z.
Marinov, I.
Mariotti, D.
Thagard, S. Mededovic
Minakata, D.
Neyts, E. C.
Pawlat, J.
Petrovic, Z. Lj
Pflieger, R.
Reuter, S.
Schram, D. C.
Schroter, S.
Shiraiwa, M.
Tarabova, B.
Tsai, P. A.
Verlet, J. R. R.
von Woedtke, T.
Wilson, K. R.
Yasui, K.
Zvereva, G.
[J]. PLASMA SOURCES SCIENCE & TECHNOLOGY, 2016, 25 (05)

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