Chunhan Wu , Xiandong Hao , Lei Gao , Mamdouh Omran , Fei He , Jin Chen , Guo Chen
{"title":"Deep and efficient removal of lead ions by zinc-graphite combination purifying agent from ZnCl2-NH4Cl-H2O system","authors":"Chunhan Wu , Xiandong Hao , Lei Gao , Mamdouh Omran , Fei He , Jin Chen , Guo Chen","doi":"10.1016/j.jece.2025.116196","DOIUrl":"10.1016/j.jece.2025.116196","url":null,"abstract":"<div><div>Efficient recovery of metals from secondary resources is essential to address resource shortages and environmental crises. Recovery of secondary zinc resources is usually treated by hydrometallurgical processes, with ammonia treatment being a preferred option due to its advantages of selective leaching and recycling. However, ammonia leach solutions often contain high levels of lead, which hinder zinc electrowinning and require urgent purification. In this paper, a novel proposal was made to use a zinc-graphite composite purifier to remove lead ions from ammonia leach solution in depth and with high efficiency. Experimental results demonstrate significant zinc savings and lead removal efficiencies, the use of zinc-graphite to purify the solutions containing 0.075 and 0.2 g/L of lead can save 33.3 % and 56.7 % of zinc, respectively, and achieve a lead removal ratio of more than 98.7 %. The enhancement mechanism of graphite on lead ion removal efficiency may exist for two reasons. Firstly, when graphite is present, the purification residue forms a flocculent, loose and porous precipitate, which reduces the wrapping of zinc particles by the purification residue. In addition to this, the added graphite is electrically conductive and has the effect of transferring electrons, accelerating the replacement efficiency of zinc for lead. Overall, this work proposes a deep and highly efficient scheme for the removal of lead ions from ammoniacal leach solution by adding graphite, and the enhancement mechanism of graphite is also analyzed. The scheme presents an innovative and widely applicable solution for lead ion removal, with potential applications in other solution purifications.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116196"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636313","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Hydrothermal pre-treatments can make PLA and PBS bioplastics suitable for anaerobic digestion","authors":"Roberta Ferrentino , Filippo Marchelli , Arianna Bevilacqua , Luca Fiori , Gianni Andreottola","doi":"10.1016/j.jece.2025.116204","DOIUrl":"10.1016/j.jece.2025.116204","url":null,"abstract":"<div><div>Bioplastics production is constantly growing, and so is the bioplastic waste that is discarded together with the organic fraction of municipal solid waste (OFMSW). The optimal treatment for this waste category foresees an anaerobic digestion (AD) treatment followed by composting. In this scheme bioplastics, even if certified as compostable, do not degrade satisfactorily. They are found almost unaltered in the compost, lowering its quality, or are rather separated at the entrance of OFMSW treatment plants and sent to landfills. In this study, we assessed whether bioplastics degradation rate and biogas yield in AD can be enhanced by subjecting them to a mild hydrothermal pre-treatment. Three different disposable cutleries based on poly(lactic acid) (PLA), poly(butylene succinate) (PBS) and cellulose were subjected to a hydrothermal treatment for 1 h at 160, 180 and 200 °C. Then, they were fed to mesophilic and thermophilic biochemical methane potential (BMP) tests to evaluate the performance enhancement. At 180 and 200 °C, the treatment brings a nearly total hydrolysis of PLA and PBS, while its effect on cellulose is minor. In AD, the hydrolysed bioplastics show remarkably higher biogas yields and production rates, with very high degradation efficiencies, while the improvements for cellulose are more inoculum-dependent. This pre-treatment may hence tackle the management issues of bioplastics in OFMSW treatment plants, avoiding their separation and discard.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116204"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiaoxue Pan , Qiyang Liu , Jingjing Jiang , Xingyue Fang , Yingying Liu , Jinli Qiu , Xuesheng Zhang
{"title":"Insights into FeCo@NC enhanced degradation of sulfamethoxazole by peracetic acid: Kinetics, mechanism, transformation products and ecotoxicity","authors":"Xiaoxue Pan , Qiyang Liu , Jingjing Jiang , Xingyue Fang , Yingying Liu , Jinli Qiu , Xuesheng Zhang","doi":"10.1016/j.jece.2025.116202","DOIUrl":"10.1016/j.jece.2025.116202","url":null,"abstract":"<div><div>Burgeoning oxidation technology based on peracetic acid (PAA) has been widely used to treat organic pollutants, and the development of efficient catalytic materials is a vital theme. In this study, a novel catalyst FeCo@NC was designed to degrade sulfamethoxazole (SMX), a typical sulfonamide antibiotic, which not only owned excellent activation performance of PAA, but also presented superior recycling performance and stability. Ten μM of SMX were nearly completely removed within 90 min under the conditions of 25 °C, pH at 7.0, 0.5 g/L catalyst, and 100 μM of initial PAA. FeCo@NC/PAA technique possessed a satisfactory degradation performance on SMX in a wide pH range, and even in the presence of a variety of anions and humic acids. The 90-min degradation rate of SMX in FeCo@NC/PAA system remained above 70 % after 4 cycles. Metal ion leaching data together with the X-ray diffraction (XRD) results confirmed the reusability and stability of this material. Superoxide and organic radicals eliminated SMX via the bond cleavage of S–C or S–N, hydroxylation and coupling reaction to yield 11 intermediates. The S–N bond cleavage was an eco-friendly route. This study provides a reference for the design of effective catalysts and their application in the treatment of refractory organic pollutants.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116202"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jie Qian, Yinghua Li, Fei Su, Sinan Liu, Junxiang Wang, Wanqi Li
{"title":"High-performance adsorbents from spent coffee grounds modified with natural deep eutectic solvents","authors":"Jie Qian, Yinghua Li, Fei Su, Sinan Liu, Junxiang Wang, Wanqi Li","doi":"10.1016/j.jece.2025.116206","DOIUrl":"10.1016/j.jece.2025.116206","url":null,"abstract":"<div><div>A large quantity of agricultural waste, specifically spent coffee grounds (SCG), is generated globally each year. Developing efficient and safe methods for modifying SCG into high-performance adsorbent materials has become a popular research focus. This study, for the first time, proposes a novel chemical modification approach using natural deep eutectic solvents (NaDES) to directly treat SCG, resulting in the preparation of a new adsorbent material (SCG-NaDES) with enhanced adsorption capacity and improved safety for wastewater treatment applications. SCG-NaDES with the highest Pb(II) adsorption capacity (35.95 mg/g) was obtained under the following preparation conditions: a molar ratio of 1:2 for choline chloride and urea, a mass ratio of 1:5 for SCG to NaDES, and thermal treatment at 120 °C for 2 h. This adsorption capacity is 1.67 times higher than that of the original spent coffee grounds. This significant improvement can be attributed to the optimization of the porous structure and the increased number of surface functional groups during the NaDES treatment process, as confirmed by FTIR, ¹H NMR, and Boehm titration analyses. Compared with untreated SCG, SCG-NaDES exhibits superior safety, as it releases minimal pigments and environmentally harmful organic acids upon contact with water. Interestingly, while chemically modifying SCG, the NaDES process also facilitates the extraction of high-value bioactive compounds from SCG, such as caffeine and kahweol acetate. This extraction process could potentially lower the production cost of SCG-NaDES. This study provides a novel approach and technical pathway for the high-value utilization of agricultural biomass waste and the development of environmentally friendly water treatment materials, offering broad application prospects and significant implications for sustainable development.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116206"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143641878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Songlin Chen , Zhihao Shen , Zhengyong Song , Guang Han , Qicheng Feng
{"title":"Selective flotation separation of chalcopyrite from pyrite using 2-phenylimidazoline as a collector: Flotation performance and surface adsorption mechanism","authors":"Songlin Chen , Zhihao Shen , Zhengyong Song , Guang Han , Qicheng Feng","doi":"10.1016/j.jece.2025.116200","DOIUrl":"10.1016/j.jece.2025.116200","url":null,"abstract":"<div><div>The flotation separation of Cu–Fe sulfide minerals often encounters challenges due to the use of inhibitors, which can lead to difficulties in recovering precious metals and the activation of inhibited minerals, thereby limiting the overall efficiency of resource utilization. Therefore, the exploration of highly selective collectors is of great significance. In this study, 2-phenylimidazoline (2-PI) was investigated as a novel collector for the selective flotation separation of chalcopyrite from pyrite. The variations in the surface properties of minerals were analyzed by means of contact angle tests, zeta potential tests, X-ray photoelectron spectroscopy (XPS), Fourier Transform infrared spectroscopy (FT-IR), atomic force microscopy (AFM), and localized electrochemical impedance spectroscopy (LEIS) tests. Flotation experiments indicated that after being treated with 1 × 10<sup>–5</sup> mol/L 2-PI, the flotation recovery of chalcopyrite exceeded 90 %, while that of pyrite was below 10 %. The results of contact angle, zeta potential, AFM, and LEIS tests demonstrated that 2-PI exhibited a stronger affinity for the surface of chalcopyrite. XPS and FT-IR analyses revealed that 2-PI underwent chemical adsorption on the chalcopyrite surface, with no significant adsorption on the pyrite surface. Consequently, 2-PI has the potential to be an alternative collector for the flotation separation of Cu–Fe sulfide minerals and shows promising applications for achieving the selective separation of chalcopyrite and pyrite in the absence of inhibitors.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116200"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hanifrahmawan Sudibyo , Meiga P.W. Hardhianti , Muslih Anwar , Dwi Joko Prasetyo , Calvin J. Supriyanto , Budhijanto Budhijanto
{"title":"Reaction pathways and kinetics of hydrothermal liquefaction of plastics and food waste macromolecules under partially oxidative conditions","authors":"Hanifrahmawan Sudibyo , Meiga P.W. Hardhianti , Muslih Anwar , Dwi Joko Prasetyo , Calvin J. Supriyanto , Budhijanto Budhijanto","doi":"10.1016/j.jece.2025.116183","DOIUrl":"10.1016/j.jece.2025.116183","url":null,"abstract":"<div><div>This study investigated the reaction mechanisms and kinetics of hydrothermal liquefaction (HTL) enhanced by reactive oxygen species from H₂O₂, aimed at converting mixed plastic and agri-food wastes into valuable products. The HTL research comprised two approaches: (1) mixture experiments designed using a simplex lattice framework for five components of degree two and (2) species-specific kinetic profiling experiments. A representative set of pure compounds was selected to model primary plastic and organic macromolecules: polyethylene (PE), D-(+)-cellobiose (CEL), 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol (DMP), glutamic acid (GLUTA), and linoleic acid (LIN). Mixture experiments, conducted at 400°C for 60 minutes, demonstrated synergistic interactions among the binary mixtures PE-CEL, CEL-GLUTA, GLUTA-DMP, and LIN-DMP in promoting biocrude formation, as well as PE-CEL and CEL-DMP in enhancing the production of aqueous organics and hydrochar. Conversely, antagonistic interactions were observed in CEL-DMP mixtures for biocrude formation, CEL-GLUTA and GLUTA-DMP mixtures for aqueous coproducts, and PE-CEL mixtures for gas formation. The kinetic profiling experiments at 300–400°C with 10-minute sampling intervals provided mechanistic explanations for the observed effects from mixture experiments. Initially, lump kinetic models were employed to describe the time evolution of product formation. These models used pseudo-first-order and pseudo-second-order kinetics for single reactants and binary interactions, respectively. Subsequently, detailed reaction pathways were elucidated by integrating well-established organic chemistry mechanisms with time-resolved concentration data of major chemical species. Species-specific kinetic models, employing <em>n</em><sup>th</sup>-order power-law equations and Arrhenius parameters, coupled with thermodynamic models to estimate Δ<em>H</em> based on bond energy, revealed endothermic or exothermic nature of individual pathways. The findings from this study offer valuable insights into the kinetic and thermodynamic factors governing HTL, enabling improved control over product yields and the optimization of their physicochemical properties.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116183"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Durga Sankar Vavilapalli, Leiqiang Qin, Ali Saffar Shamshirgar, Johanna Rosen
{"title":"Efficient photocatalytic reduction of aqueous Cr (VI) by MXene-(Ti3C2, Mo4/3C) and Ca2Fe2O5-based nanocomposites","authors":"Durga Sankar Vavilapalli, Leiqiang Qin, Ali Saffar Shamshirgar, Johanna Rosen","doi":"10.1016/j.jece.2025.116169","DOIUrl":"10.1016/j.jece.2025.116169","url":null,"abstract":"<div><div>The reduction of highly toxic hexavalent chromium (Cr(VI)) to less toxic trivalent chromium (Cr(III)) in aquatic environments is a critical research topic. Photocatalytic reduction of Cr(VI) is a green and promising approach, and in this study, brownmillerite Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub> (CFO) and MXene-based (Ti<sub>3</sub>C<sub>2</sub>, Mo<sub>4/3</sub>C) nanocomposites were prepared for the photoreduction of Cr(VI) to Cr(III) under simulated sunlight. An electrostatic assembly, as concluded from X-ray photoelectron spectroscopy data, of CFO nanoparticles and MXene nanosheets significantly improved charge separation and enhanced the photocatalytic performance by forming a Schottky junction. Photoluminescence spectra showed a faster electron transfer from MXene to CFO, reducing recombination losses. The nanocomposites achieved 96 % Cr(VI) reduction with a rate constant of k = 0.0577 min<sup>−1</sup> in 60 minutes using Ti<sub>3</sub>C<sub>2</sub>-CFO, and 99 % reduction with a rate constant of k = 0.0911 min<sup>−1</sup> in 50 minutes using Mo<sub>4/3</sub>C-CFO. This study provides valuable insights into MXene-based photocatalysts for efficient environmental remediation.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116169"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143687333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiaoyue Duan , Ziqi Ning , Xinyu Sui , Shiyu Geng , Hailong Wang , Chunbo Liu , Limin Chang
{"title":"Ultrasound-assisted electrocatalytic degradation of microplastics by a hydrophobic Ce3Mn7-PbO2 anode: Enhanced performance and degradation mechanism","authors":"Xiaoyue Duan , Ziqi Ning , Xinyu Sui , Shiyu Geng , Hailong Wang , Chunbo Liu , Limin Chang","doi":"10.1016/j.jece.2025.116207","DOIUrl":"10.1016/j.jece.2025.116207","url":null,"abstract":"<div><div>Microplastics (MPs), as emerging organic pollutants, pose significant threats to water environment safety and human health. In this study, a highly hydrophobic Ce<sub>3</sub>Mn<sub>7</sub>-PbO<sub>2</sub> (HH-Ce<sub>3</sub>Mn<sub>7</sub>-PbO<sub>2</sub>) anode was developed and applied in ultrasound-assisted electrochemical oxidation (UEO) system for the degradation of MPs. The incorporation of Ce<sub>3</sub>Mn<sub>7</sub> and enhanced hydrophobicity improved the stability of the PbO<sub>2</sub> anode and facilitated the generation of hydroxyl radicals (•OH). The introduction of ultrasound led to the formation of hot spots, which not only enhanced chemical reaction and mass transfer but also increased the production of reactive oxygen species (ROS). Consequently, during the degradation of polyvinyl chloride microplastics (PVC-MPs), the UEO system with the HH-Ce<sub>3</sub>Mn<sub>7</sub>-PbO<sub>2</sub> anode achieved significantly higher degradation efficiency of 71.5 %, compared to 24.7 % observed in conventional electrochemical oxidation (EO) system using a pure PbO<sub>2</sub> anode. Electron spin resonance (ESR) tests and reactive species quenching experiments revealed that the •OH was the primary reactive species, contributing 67.4 % to the degradation process. In contrast, the contributions of sulfate radical (SO<sub>4</sub><sup>•−</sup>), superoxide radical (O<sub>2</sub><sup>•−</sup>), and singlet oxygen (<sup>1</sup>O<sub>2</sub>) were relatively minor, at 7.3 %, 15.3 %, and 10.0 %, respectively. These findings provide a scientific foundation and theoretical insights for the efficient degradation of MPs through the UEO process.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116207"},"PeriodicalIF":7.4,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Divya P. Barai , Swati L. Gajbhiye , Yogeshwary M. Bhongade , Hemant S. Kanhere , Dadasaheb M. Kokare , Nishikant A. Raut , Bharat A. Bhanvase , Sanjay J. Dhoble
{"title":"Performance evaluation of existing and advanced processes for remediation of microplastics: A comprehensive review","authors":"Divya P. Barai , Swati L. Gajbhiye , Yogeshwary M. Bhongade , Hemant S. Kanhere , Dadasaheb M. Kokare , Nishikant A. Raut , Bharat A. Bhanvase , Sanjay J. Dhoble","doi":"10.1016/j.jece.2025.116194","DOIUrl":"10.1016/j.jece.2025.116194","url":null,"abstract":"<div><div>Microplastics (MPs) raise concerns due to their impacts on ecosystems and human health. This review provides a comprehensive analysis of the nature, classification, sources, and distribution of MPs. It highlights the significant contribution of developed and developing countries to the release of MPs, influenced by plastic consumption patterns and waste management practices. Furthermore, the various sources of MPs, including industrial processes, synthetic fibers, personal care products, and agricultural activities, as well as their accumulation in wastewater treatment plants and the environment have been elaborated. The environmental fate and transport of MPs in aquatic and terrestrial ecosystems are discussed, emphasizing their potential to infiltrate the food chain and biological systems. The review also examines current and emerging remediation technologies for Microplastics, including advanced filtration, separation methods, and innovative approaches like advanced oxidation processes and biodegradation. The economic impact of MPs on healthcare, environmental clean-up, and tourism is also addressed. Finally, government policies and campaigns aimed at curbing microplastics/nanoplastics pollution are reviewed, alongside recommendations for preventing microplastic generation, improving treatment processes, and conducting life cycle assessments to mitigate their environmental footprint.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116194"},"PeriodicalIF":7.4,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ziwen He , Lei He , Linyang Wang , Wei Wang , Duo Ma , Qiuxiang Yao , Ming Sun
{"title":"Thermal oxidation degradation mechanism under the rust-catalyzed condition of CO2 absorbent monoethanolamine and the DFT analysis of pathway","authors":"Ziwen He , Lei He , Linyang Wang , Wei Wang , Duo Ma , Qiuxiang Yao , Ming Sun","doi":"10.1016/j.jece.2025.116189","DOIUrl":"10.1016/j.jece.2025.116189","url":null,"abstract":"<div><div>The study of the degradation mechanism of MEA is of great significance for developing anti-degradation agents for MEA to achieve long-term stable operation of CO<sub>2</sub> capture. In this paper, the effects of air, CO<sub>2</sub>, and rust on the long-period degradation behavior of MEA were investigated under simultaneous thermal and oxidative degradation. Based on a systematic analysis of the long-cycle degradation products of MEA, new degradation products such as glycyl-L-alanine and pentetic acid were identified, which enriched the degradation pathways of MEA (18 degradation pathways of MEA were constructed), and DFT analysis was performed. The results showed that CO<sub>2</sub> can promote the degradation of MEA. Rust makes it easier for MEA to move in the direction of generating zwitterionic, thus greatly inhibiting the generation of compounds in other pathways, leading to fewer degradation products. The DFT analysis showed that the degradation process of MEA involved endothermic and exothermic reactions, where the highest energy was absorbed for degradation to 1-Piperazinecarboxaldehyde (170.561 kcal/mol) and the highest energy was released for degradation to 4-Hydroxyisovaline (397.483 kcal/mol). In the process of CO<sub>2</sub> capture technology with MEA, adding appropriate rust or lowering the reaction temperature can enhance the long-term operation of CO<sub>2</sub> capture technology, as well as reduce the cost of the capture technology and improve the capture efficiency.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 3","pages":"Article 116189"},"PeriodicalIF":7.4,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}