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Article ; Online: Insights into the hydrolysis/alcoholysis/ammonolysis mechanisms of ethylene naphthalate dimer using density functional theory (DFT) method.

Luo, Xiaosong / Li, Qibin

Environmental pollution (Barking, Essex : 1987)

2024 Volume 349, Page(s) 123965

Abstract: Hydrolysis, alcoholysis and ammonolysis are viable routes for the efficient degradation and recycling of polyethylene naphthalate (PEN) plastic waste. Various possible hydrolysis/alcoholysis/ammonolysis reaction pathways for the degradation mechanism of ... ...

Abstract	Hydrolysis, alcoholysis and ammonolysis are viable routes for the efficient degradation and recycling of polyethylene naphthalate (PEN) plastic waste. Various possible hydrolysis/alcoholysis/ammonolysis reaction pathways for the degradation mechanism of the ethylene naphthalate dimer were investigated using the density functional theory (DFT) B3P86/6-31++G(d,p). To determine the thermodynamic and kinetic parameters, geometric structure optimization and frequency calculation were performed on a range of intermediates, transition states, and products associated with the reaction. The calculation results show that the highest energy barrier of the main element reaction step in hydrolysis is about 169.0 kJ/mol, the lowest is about 151.0 kJ/mol for ammonolysis, and the second is about 155.0 kJ/mol for alcoholysis. The main hydrolysis products of the ethylene naphthalate dimer are 2,6-naphthalenedicarboxylic acid and ethylene glycol; the main products of alcoholysis are dimethyl naphthalene-2,6-dicarboxylate and ethylene glycol, and the main products of ammonolysis are naphthalene-2,6-dicarboxamide and ethylene glycol. Furthermore, in the process of ethylene naphthalate dimer hydrolysis/alcoholysis/ammonolysis, the decomposition reaction in the NH
Language	English
Publishing date	2024-04-11
Publishing country	England
Document type	Journal Article
ZDB-ID	280652-6
ISSN	1873-6424 ; 0013-9327 ; 0269-7491
ISSN (online)	1873-6424
ISSN	0013-9327 ; 0269-7491
DOI	10.1016/j.envpol.2024.123965
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Molecular Characteristics and Formation Mechanisms of Unknown Ozonation Byproducts during the Treatment of Flocculated Nanofiltration Leachate Concentrates Using O

Chen, Weiming / Gu, Zhepei / He, Chen / Li, Qibin

Environmental science & technology

2023 Volume 57, Issue 48, Page(s) 20349–20359

Abstract: Both ozone ( ... ...

Abstract	Both ozone (O
MeSH term(s)	Ozone/analysis ; Water Pollutants, Chemical/analysis ; Oxidation-Reduction ; Tandem Mass Spectrometry ; Hydroxyl Radical ; Water Purification/methods
Chemical Substances	Ozone (66H7ZZK23N) ; Water Pollutants, Chemical ; Hydroxyl Radical (3352-57-6)
Language	English
Publishing date	2023-11-09
Publishing country	United States
Document type	Journal Article
ISSN	1520-5851
ISSN (online)	1520-5851
DOI	10.1021/acs.est.3c05134
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Article ; Online: Molecular comparison of organic matter removal from shale gas flowback wastewater: Ozonation versus Fenton process.

Chen, Xinglong / Zhao, Guonan / Yang, Zhuowen / Li, Qibin

The Science of the total environment

2023 Volume 905, Page(s) 167147

Abstract: Shale gas extraction process generates a large amount of shale gas flowback wastewater (SGFW) containing refractory organic compounds, which can pose serious environmental threats if not properly treated. However, the extremely complex compositions of ... ...

Abstract	Shale gas extraction process generates a large amount of shale gas flowback wastewater (SGFW) containing refractory organic compounds, which can pose serious environmental threats if not properly treated. However, the extremely complex compositions of organics in SGFW are still unknown and their transformation pathways in O
Language	English
Publishing date	2023-09-18
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	121506-1
ISSN	1879-1026 ; 0048-9697
ISSN (online)	1879-1026
ISSN	0048-9697
DOI	10.1016/j.scitotenv.2023.167147
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Article: Characteristics of organic matter removed from highly saline mature landfill leachate by an emergency disk tube-reverse osmosis treatment system

Wu, Chuanwei / Li, Qibin

Chemosphere. 2021 Jan., v. 263

2021

Abstract: Some sanitary landfills in China are required to treat aging landfill leachate that is highly saline. In this study, the effectiveness of an emergency disk tube-reverse osmosis (DTRO) treatment system for such a refractory mature landfill leachate was ... ...

Abstract	Some sanitary landfills in China are required to treat aging landfill leachate that is highly saline. In this study, the effectiveness of an emergency disk tube-reverse osmosis (DTRO) treatment system for such a refractory mature landfill leachate was evaluated. A molecular-level analysis was then applied to reveal the changes of the characteristics of leachate organic matter (OM). The DTRO system achieved >83% water recovery rate, reduced the electrical conductivity of effluent to 0.15–0.22 ms/cm, and reduced carbonaceous and nitrogenous pollutants to a level suitable for discharge. Furthermore, the vast majority of salts (e.g., chloride and sulfate ions), as well as refractory OM (e.g., humic- and fulvic-like substances), were effectively removed. The DTRO system can effectively remove a large number of macromolecular dissolved organic compounds with carbon number >23, as well as highly unsaturated compounds with DBE >12. Additionally, > 80% of the molecules assigned to the dissolved OM (DOM) were removed; even CHONS compounds with complex molecular structures were completely removed. The constitution of DOM in the DTRO effluent was simple, mainly comprising anti-sludge agents (e.g., small molecule alcohol and alkyl benzene sulfonic acid, etc.). However, the DOM in the resulting membrane concentrates was very similar to that in raw landfill leachate and the concentration was much higher. Therefore, an effective and feasible method should be developed to treat DTRO membrane concentrates because they pose high environmental risk.
Keywords	alcohols ; carbon ; chlorides ; electrical conductivity ; landfill leachates ; organic matter ; osmosis ; risk ; sulfates ; sulfonic acids ; China
Language	English
Dates of publication	2021-01
Publishing place	Elsevier Ltd
Document type	Article
Note	NAL-light
ZDB-ID	120089-6
ISSN	1879-1298 ; 0045-6535 ; 0366-7111
ISSN (online)	1879-1298
ISSN	0045-6535 ; 0366-7111
DOI	10.1016/j.chemosphere.2020.128347
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Molecular-level transformation of refractory organic matter during flocculation-ultraviolet/peroxymonosulfate treatment of MBR-treated landfill leachate.

Chen, Weiming / Gu, Zhepei / He, Chen / Li, Qibin

Journal of hazardous materials

2022 Volume 443, Issue Pt A, Page(s) 130086

Abstract: Refractory organic matter in membrane bioreactor effluent resulting from landfill leachate treatment has a complex composition. This paper identified the transformation mechanism of organic matter in a flocculation-ultraviolet (UV)/peroxymonosulfate (PMS) ...

Abstract	Refractory organic matter in membrane bioreactor effluent resulting from landfill leachate treatment has a complex composition. This paper identified the transformation mechanism of organic matter in a flocculation-ultraviolet (UV)/peroxymonosulfate (PMS) system at the molecular level using electrospray ionization coupled with Fourier transform ion cyclotron resonance mass spectrometry. The results showed that the flocculation system was able to remove a large amount of dissolved organic matter (DOM) with high oxidation and unsaturation/saturation. UV radiation displayed a relatively strong reactivity for DOM with an electron-rich structure, which it can transform into DOM with lower aromaticity through photolysis and photosensitivity, although the effectiveness of the transformation was poor. In comparison, due to the action of reactive oxygen species, the UV/PMS system can enable reactions such as demethylation, dehydrogenation, decarboxylation, dehydroxylation, ring cleavage, and decarbonylation. It can remove approximately 60% quantity of the total DOM and produce DOM featuring a higher degree of oxidation and saturation than that of the UV system alone. The results showed that the UV/PMS system was a complementary of flocculation in DOM removal from the membrane bioreactor effluent, while the system also resulted in a large number of sulfuric compounds; thus, requiring further evaluation of its ecological effects.
MeSH term(s)	Water Pollutants, Chemical/chemistry ; Flocculation ; Peroxides ; Photolysis
Chemical Substances	Water Pollutants, Chemical ; peroxymonosulfate (22047-43-4) ; Peroxides
Language	English
Publishing date	2022-09-28
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1491302-1
ISSN	1873-3336 ; 0304-3894
ISSN (online)	1873-3336
ISSN	0304-3894
DOI	10.1016/j.jhazmat.2022.130086
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Regional distribution, properties, treatment technologies, and resource utilization of oil-based drilling cuttings: A review.

Hu, Yuansi / Mu, Shiqi / Zhang, Jingjing / Li, Qibin

Chemosphere

2022 Volume 308, Issue Pt 1, Page(s) 136145

Abstract: Oil-based drilling cuttings (OBDC) are hazardous wastes produced during the extensive use of oil-based drilling mud in oil and gas exploration and development. They have strong mutagenic, carcinogenic, and teratogenic effects and need to be properly ... ...

Abstract	Oil-based drilling cuttings (OBDC) are hazardous wastes produced during the extensive use of oil-based drilling mud in oil and gas exploration and development. They have strong mutagenic, carcinogenic, and teratogenic effects and need to be properly disposed of to avoid damaging the natural environment. This paper reviews the recent research progress on the regional distribution, properties, treatment technologies, and resource utilization of OBDC. The advantages and disadvantages of different technologies for removing petroleum pollutants from OBDC were comprehensively analyzed, and required future developments in treatment technologies were proposed.
MeSH term(s)	Environmental Pollutants ; Hazardous Waste ; Oils ; Petroleum
Chemical Substances	Environmental Pollutants ; Hazardous Waste ; Oils ; Petroleum
Language	English
Publishing date	2022-08-24
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	120089-6
ISSN	1879-1298 ; 0045-6535 ; 0366-7111
ISSN (online)	1879-1298
ISSN	0045-6535 ; 0366-7111
DOI	10.1016/j.chemosphere.2022.136145
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Article ; Online: Molecular insights into the transformation of refractory organic matter in landfill leachate nanofiltration concentrates during a flocculation and O

Gu, Zhepei / Chen, Weiming / He, Chen / Li, Qibin

Journal of hazardous materials

2022 Volume 435, Page(s) 128973

Abstract: During leachate treatment, molecular information regarding the completely removed, partially removed, less-reactive, increased, and produced parts of dissolved organic matter (DOM) remains unknown. This study applied ESI FT-ICR MS to investigate the ... ...

Abstract	During leachate treatment, molecular information regarding the completely removed, partially removed, less-reactive, increased, and produced parts of dissolved organic matter (DOM) remains unknown. This study applied ESI FT-ICR MS to investigate the transformation characteristics of leachate nanofiltration concentrate (NFC) DOM during a combined flocculation-O
MeSH term(s)	Flocculation ; Hydrogen Peroxide ; Oxygen ; Water Pollutants, Chemical
Chemical Substances	Water Pollutants, Chemical ; Hydrogen Peroxide (BBX060AN9V) ; Oxygen (S88TT14065)
Language	English
Publishing date	2022-04-20
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1491302-1
ISSN	1873-3336 ; 0304-3894
ISSN (online)	1873-3336
ISSN	0304-3894
DOI	10.1016/j.jhazmat.2022.128973
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Article: Regional distribution, properties, treatment technologies, and resource utilization of oil-based drilling cuttings: A review

Hu, Yuansi / Mu, Shiqi / Zhang, Jingjing / Li, Qibin

Chemosphere. 2022 Aug. 18,

2022

Abstract	Oil-based drilling cuttings (OBDC) are hazardous wastes produced during the extensive use of oil-based drilling mud in oil and gas exploration and development. They have strong mutagenic, carcinogenic, and teratogenic effects and need to be properly disposed of to avoid damaging the natural environment. This paper reviews the recent research progress on the regional distribution, properties, treatment technologies, and resource utilization of OBDC. The advantages and disadvantages of different technologies for removing petroleum pollutants from OBDC were comprehensively analyzed, and required future developments in treatment technologies were proposed.
Keywords	carcinogenicity ; mutagens ; oils ; petroleum ; teratogenicity
Language	English
Dates of publication	2022-0818
Publishing place	Elsevier Ltd
Document type	Article
Note	Pre-press version
ZDB-ID	120089-6
ISSN	1879-1298 ; 0045-6535 ; 0366-7111
ISSN (online)	1879-1298
ISSN	0045-6535 ; 0366-7111
DOI	10.1016/j.chemosphere.2022.136145
Database	NAL-Catalogue (AGRICOLA)

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Article: Molecular insights into the transformation of refractory organic matter in landfill leachate nanofiltration concentrates during a flocculation and O3/H2O2 treatment

Gu, Zhepei / Chen, Weiming / He, Chen / Li, Qibin

Journal of hazardous materials. 2022 Apr. 17,

2022

Abstract	During leachate treatment, molecular information regarding the completely removed, partially removed, less-reactive, increased, and produced parts of dissolved organic matter (DOM) remains unknown. This study applied ESI FT-ICR MS to investigate the transformation characteristics of leachate nanofiltration concentrate (NFC) DOM during a combined flocculation–O₃/H₂O₂ process. The NFC contained 5069 compounds in four main classes (CHO, CHON, CHOS, and CHONS compounds). The DOM number decreased to 4489 during flocculation and to 2903 after the O₃/H₂O₂ process. During flocculation, the completely and partially removed DOM was mainly low-oxygen unsaturated and phenolic compounds. Saturated DOM was produced and remained in the flocculated effluent. During the O₃/H₂O₂ process, the completely and partially removed DOM were mainly low-oxygen unsaturated and phenolic compounds that were mainly in a reduced state. Flocculation can remove many (condensed) aromatic compounds, and methylation and hydrogenation reactions occurred during flocculation. In the O₃/H₂O₂ process, dearomatization, demethylation, carboxylation, and carbonylation reactions further achieved the degradation of DOM that was resistant to flocculation. Overall, the combined flocculation-O₃/H₂O₂ process collectively eliminated a broader range of DOM than the single processes could achieve. The results of this study provide an in-depth understanding of DOM transformation in an NFC treatment.
Keywords	carboxylation ; demethylation ; dissolved organic matter ; flocculation ; hydrogenation ; landfill leachates ; methylation ; nanofiltration
Language	English
Dates of publication	2022-0417
Publishing place	Elsevier B.V.
Document type	Article
Note	Pre-press version
ZDB-ID	1491302-1
ISSN	1873-3336 ; 0304-3894
ISSN (online)	1873-3336
ISSN	0304-3894
DOI	10.1016/j.jhazmat.2022.128973
Database	NAL-Catalogue (AGRICOLA)

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Article: Microbial characteristics of the leachate contaminated soil of an informal landfill site

Gu, Zhepei / Feng, Ke / Li, Yihui / Li, Qibin

Chemosphere. 2022 Jan., v. 287

2022

Abstract: Because informal landfills are not constructed in a regulated manner, they will inevitably become a source of leachate pollution to the surrounding environment over time. Microbes are an important part of the soil system, playing a vital role in ... ...

Abstract	Because informal landfills are not constructed in a regulated manner, they will inevitably become a source of leachate pollution to the surrounding environment over time. Microbes are an important part of the soil system, playing a vital role in maintaining the normal functionality of soil. This study investigated the microbial composition and co-occurrence pattern in the leachate contaminated soil of an informal landfill site. The landfill leachate underwent horizontal and vertical migration through the contaminated soil, resulting in significant differences in the microbial compositions of horizontal surface soil (CS) and vertical subsurface soil (DS and ES) compared to uncontaminated soil (S). The microbial diversity of CS, DS, and ES was lower than that of S. Due to the migration of landfill leachate, the microbial composition of the surface soil was substantially changed. The dominant phyla in S included Proteobacteria (26.88%), Chloroflexi (23.68%), Actinobacteroita (17.36%), and Acidobacteroita (16.86%), but in contaminated soils, Firmicutes (35.27–86.68%) were the dominant bacteria. A network analysis indicated that Bacilli, Clostridia, and Thermacetogeniazai of the Firmicutes were the keystone taxa and played a vital role in maintaining the stability of the soil ecosystem. A functional annotation of prokaryotic taxa (FAPROTAX) analysis showed that the microbes involved in the C-, N-, and S-cycles in contaminated soil were significantly different to those in uncontaminated soil. The proportion of (aerobic)-chemoheterotrophy and cellulolysis functional communities in contaminated soils was significantly reduced, while there was an increase in functional communities, such as anammox and denitrification, which are not conducive to soil nitrogen fixation. This negatively affected the maintenance of normal soil ecological functions. This study identified the microbial characteristics in leachate contaminated soil and the results will be beneficial for the remediation of contaminated soil in informal landfill sites.
Keywords	Chloroflexi ; Clostridia ; Proteobacteria ; anaerobic ammonium oxidation ; denitrification ; landfill leachates ; landfills ; migratory behavior ; nitrogen fixation ; polluted soils ; remediation ; soil ecosystems ; subsurface soil layers
Language	English
Dates of publication	2022-01
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	120089-6
ISSN	1879-1298 ; 0045-6535 ; 0366-7111
ISSN (online)	1879-1298
ISSN	0045-6535 ; 0366-7111
DOI	10.1016/j.chemosphere.2021.132155
Database	NAL-Catalogue (AGRICOLA)

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