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Metabolic and enzymatic insights into n-hexane biodegradation by Rhodococcus qingshengii strain SCJ-1 青生红球菌SCJ-1对正己烷生物降解的代谢和酶学研究
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-11 DOI: 10.1016/j.jece.2025.117553
Changjie Shi , Zeyu Wang , Sihan Hu , Jiachao Yao , Nan Li , Dzmitry Hrynsphan , Tatsiana Savitskaya , Jun Chen
{"title":"Metabolic and enzymatic insights into n-hexane biodegradation by Rhodococcus qingshengii strain SCJ-1","authors":"Changjie Shi ,&nbsp;Zeyu Wang ,&nbsp;Sihan Hu ,&nbsp;Jiachao Yao ,&nbsp;Nan Li ,&nbsp;Dzmitry Hrynsphan ,&nbsp;Tatsiana Savitskaya ,&nbsp;Jun Chen","doi":"10.1016/j.jece.2025.117553","DOIUrl":"10.1016/j.jece.2025.117553","url":null,"abstract":"<div><div><em>n</em>-Hexane, a neurotoxic volatile organic compound ubiquitously present in industrial emissions, poses environmental and health risks due to its recalcitrance to biodegradation stemming from its hydrophobic nature. The strain <em>Rhodococcus qingshengii</em> strain SCJ-1, isolated from pharmaceutical wastewater sludge through adaptive enrichment and identified via 16S rRNA sequencing, exhibited robust degradation capabilities. Whole-genome sequencing showed that the strain carries a wide array of genes related to alkane degradation. Following optimization using the Haldane growth model, under conditions of pH 7.0 and 30℃, the strain SCJ-1 degraded 82.3 % of <em>n</em>-hexane at a concentration of 200 mg·L<sup>−1</sup> within 48 h. Under these conditions, alkane hydroxylase (AlkB: 27.6 nmol·mg<sup>−1</sup> prot) catalyzed the initial hydroxylation of <em>n</em>-hexane, while alcohol dehydrogenase and aldehyde dehydrogenase (ADH/ALDH: 37.3 nmol·mg<sup>−1</sup> protein) drove its sequential oxidation to aldehydes and carboxylic acids. Concurrently, superoxide dismutase (SOD: 10.9 mmol·mg<sup>−1</sup> protein), catalase (CAT: 34.5 mmol·mg<sup>−1</sup> protein), and total antioxidant capacity (T-AOC: 42.2 mmol·mg<sup>−1</sup> protein) collectively mitigated oxidative stress, enhancing enzyme stability. Gas chromatography-mass spectrometry (GC-MS) analysis detected pentanoic acid and ethyl butyrate, indicating the presence of a Baeyer–Villiger monooxygenases (BVMO)-mediated degradation pathway. To investigate the metabolite selectivity of BVMO and the origin of pentanoic acid and ethyl butyrate, molecular docking confirmed its specificity for 2-hexanone (binding energy of −3.925 kcal·mol<sup>−1</sup>). These results suggest that the strain SCJ-1 is an effective candidate for bioremediation, utilizing a novel BVMO-driven pathway for the sustainable control of <em>n</em>-hexane pollution.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117553"},"PeriodicalIF":7.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297239","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}
引用次数: 0
Application and research progress of aerogel-based interfacial evaporation in solar desalination technology 气凝胶界面蒸发在太阳能海水淡化技术中的应用与研究进展
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-11 DOI: 10.1016/j.jece.2025.117490
Jiayu Xiao , Tao Zhang , Zhengrong Shi , Siyu Dong
{"title":"Application and research progress of aerogel-based interfacial evaporation in solar desalination technology","authors":"Jiayu Xiao ,&nbsp;Tao Zhang ,&nbsp;Zhengrong Shi ,&nbsp;Siyu Dong","doi":"10.1016/j.jece.2025.117490","DOIUrl":"10.1016/j.jece.2025.117490","url":null,"abstract":"<div><div>With regard to environmental problems, freshwater resources are becoming increasingly important. As a technology to obtain freshwater resources, solar desalination has been widely considered because of its superiority in being clean and efficient. The interfacial evaporation aims to focus heat on the water body at the evaporation surface, thereby reducing heat loss and improving evaporation efficiency. However, the performance of interfacial evaporation is highly dependent on photothermal materials. Aerogel with low thermal conductivity, lightweight, and high porosity can meet the needs of photothermal conversion in the process of interfacial evaporation of water, solar radiation absorption, and heat insulation, so it has become one of the ideal choices of photothermal materials. At present, the solar desalination technology based on aerogel is becoming a research hotspot, and there are certain core technologies that need to be broken, such as low water transfer rate, salt pollution precipitation, slow photothermal conversion, and short service life. Overcoming these questions could promote the improvement of the evaporation rate. Through the analysis of the process of photothermal conversion and the working principle, this paper systematically reviews and expounds on the research progress of related technologies in recent years. On this basis, the influence of surface structure design on evaporation rate is discussed, and the strategy selection of structural design factors based on the existing configuration is summarized. According to the different functions of the structure, the photothermal performance requirements of the corresponding materials are put forward. Finally, the future research direction in this field is prospected.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117490"},"PeriodicalIF":7.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297227","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}
引用次数: 0
Demonstration of the potential for gas-tight reduced graphene oxide and graphene oxide films: From windows for X-ray devices to proton exchange membranes for fuel cells 展示气密还原氧化石墨烯和氧化石墨烯薄膜的潜力:从x射线设备的窗口到燃料电池的质子交换膜
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-11 DOI: 10.1016/j.jece.2025.117546
Alba M. Fernández-Sotillo , Zhi-Bin Zhang , Paloma Ferreira-Aparicio
{"title":"Demonstration of the potential for gas-tight reduced graphene oxide and graphene oxide films: From windows for X-ray devices to proton exchange membranes for fuel cells","authors":"Alba M. Fernández-Sotillo ,&nbsp;Zhi-Bin Zhang ,&nbsp;Paloma Ferreira-Aparicio","doi":"10.1016/j.jece.2025.117546","DOIUrl":"10.1016/j.jece.2025.117546","url":null,"abstract":"<div><div>The evaporation-assembly process of graphene oxide suspensions has been used to develop gas-tight, self-supporting films with areas spanning several tens of square centimeters, showcasing remarkable properties. A detailed analysis has been conducted on the characteristics and specific features of these laminates. The initial suspension of graphene oxide and its processing history are crucial in determining the resulting physicochemical properties of the films and the carbon-to-oxygen (C/O) ratios on their surfaces. This variability is attributed to the structural dynamism of the graphene oxide flakes. Furthermore, the thermal stability and reducibility of the surface functional groups within these laminates have been thoroughly investigated. Notably, environmentally benign reagents for reduction, such as ascorbic acid, significantly enhance the C/O ratios more than thermal treatment. While the as-prepared graphene oxide membranes demonstrate high electrical resistivity, their in-plane electrical conductivity is notably superior in films reduced with ascorbic acid compared to those produced through alternative methods. The properties of these films hold promise for a variety of applications. Reduced graphene oxide films, characterized by low in-plane electrical resistivity, have been effectively utilized in proportional counters to precisely measure low-energy X-ray emission rates, as a substitute for hazardous and fragile beryllium windows. Additionally, the developed graphene oxide membranes have been successfully implemented as proof of concept of proton exchange membranes in fuel cells.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117546"},"PeriodicalIF":7.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297139","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}
引用次数: 0
Photocatalysis for sustainable energy and environmental protection in construction: A review on surface engineering and emerging synthesis 建筑中可持续能源与环境保护的光催化:表面工程与新兴合成综述
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117529
Kailun Chen , Wenkui Dong , Yuhan Huang , Fazhou Wang , John L. Zhou , Wengui Li
{"title":"Photocatalysis for sustainable energy and environmental protection in construction: A review on surface engineering and emerging synthesis","authors":"Kailun Chen ,&nbsp;Wenkui Dong ,&nbsp;Yuhan Huang ,&nbsp;Fazhou Wang ,&nbsp;John L. Zhou ,&nbsp;Wengui Li","doi":"10.1016/j.jece.2025.117529","DOIUrl":"10.1016/j.jece.2025.117529","url":null,"abstract":"<div><div>The sustained growth in global energy demand and escalating environmental crises resulting from fossil fuel consumption underscore the urgent need for sustainable technologies. Photocatalysis, which harnesses solar energy to drive redox reactions for concurrent clean fuel production and pollutant degradation, has demonstrated significant potential for diverse applications. However, conventional photocatalysts are hindered by intrinsic limitations such as restricted visible-light absorption, rapid electron–hole recombination, and insufficient structural stability. In addition, extrinsic challenges, including mass transfer constraints, catalyst deactivation, and the formation of toxic by-products, further impede practical implementation. Existing reviews typically address these issues in isolation or focus on single materials (e.g., TiO<sub>2</sub>), thereby lacking a comprehensive, state-of-the-art perspective. To fill this gap, this review systematically summarizes and critically evaluates the key bottlenecks hindering the practical application of photocatalytic technologies. It provides an in-depth overview of advanced surface functionalization and interfacial engineering strategies designed to overcome these limitations, including ferroelectric polarization, hydrogel-supported composite structures, defect engineering, and heterojunction/homojunction systems, while thoroughly elucidating the synergistic effects among these strategies. Furthermore, the review highlights emerging low-carbon and scalable synthetic approaches such as green biosynthesis, microfluidics, plasma-assisted electrolysis, and mechanochemistry, by comparing their potential for industrial-scale production. Finally, it outlines future research directions, emphasizing the pivotal roles of machine learning, interdisciplinary integration, and scalable manufacturing in transitioning photocatalytic innovations from laboratory settings to industrial applications. Overall, this review offers a comprehensive analytical framework and strategic insights to facilitate the transformation of photocatalysis from laboratory research to practical industrial-scale implementation.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117529"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297135","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}
引用次数: 0
Recent advances in environmental applications, emerging synthesis methods and characterization techniques of single-atom catalysts 单原子催化剂环境应用的最新进展、新兴的合成方法和表征技术
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117532
Hailong Li , Wenqi Song , Altaf Hussain , Donghao Li , Wenlu Zeng , Fengxiang Li
{"title":"Recent advances in environmental applications, emerging synthesis methods and characterization techniques of single-atom catalysts","authors":"Hailong Li ,&nbsp;Wenqi Song ,&nbsp;Altaf Hussain ,&nbsp;Donghao Li ,&nbsp;Wenlu Zeng ,&nbsp;Fengxiang Li","doi":"10.1016/j.jece.2025.117532","DOIUrl":"10.1016/j.jece.2025.117532","url":null,"abstract":"<div><div>Single-atom catalysts (SACs) have been of great interest to researchers since their inception due to their high atomic utilization rates (up to 100 %), unique geometrical configurations, abundance of active sites, and excellent activity and selectivity in various catalytic reactions. Herein,we make an overview of the progress in SAC research in recent years, including a brief description of traditional synthesis and SAC characterization methods, highlighting new synthesis methods and the incorporation of density function theory (DFT) to guide catalyst development, analyzing current research bottlenecks, and looking ahead to the future of SAC research in terms of new development strategies and the application of new materials. In conclusion, our work provides some references for future SAC research work, especially on synthesis strategies and industrial applications.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117532"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297325","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}
引用次数: 0
Enhanced formaldehyde purification via Bi2WxMo1-xO6/g-C3N4 Z-scheme heterojunction: Regulation of band structure, photogenerated carriers separation, and adsorption Bi2WxMo1-xO6/g-C3N4 z型异质结强化甲醛净化:带结构调控、光生载流子分离和吸附
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117493
Jingquan Wang , Yi Qu , Fujun Ren , Yingxuan Wu , Quanyi Dai , Zhanxin Jiang , Yu Ding , Chuncai Kong , Zhimao Yang , Tong Wang , Hao Zhu
{"title":"Enhanced formaldehyde purification via Bi2WxMo1-xO6/g-C3N4 Z-scheme heterojunction: Regulation of band structure, photogenerated carriers separation, and adsorption","authors":"Jingquan Wang ,&nbsp;Yi Qu ,&nbsp;Fujun Ren ,&nbsp;Yingxuan Wu ,&nbsp;Quanyi Dai ,&nbsp;Zhanxin Jiang ,&nbsp;Yu Ding ,&nbsp;Chuncai Kong ,&nbsp;Zhimao Yang ,&nbsp;Tong Wang ,&nbsp;Hao Zhu","doi":"10.1016/j.jece.2025.117493","DOIUrl":"10.1016/j.jece.2025.117493","url":null,"abstract":"<div><div>The tendency for photogenerated carriers to recombine easily and the low utilization of light hinder the application of this method in the photocatalytic degradation of formaldehyde (HCHO). Herein, 3D/2D Bi<sub>2</sub>W<sub>x</sub>Mo<sub>1-x</sub>O<sub>6</sub>/g-C<sub>3</sub>N<sub>4</sub> Z-scheme heterojunction were synthesized through hydrothermal method for the degradation of HCHO. In contrast to Bi<sub>2</sub>W<sub>0.6</sub>Mo<sub>0.4</sub>O<sub>6</sub> (38.7 %) and g-C<sub>3</sub>N<sub>4</sub> (23.2 %), Bi<sub>2</sub>W<sub>0.6</sub>Mo<sub>0.4</sub>O<sub>6</sub>/g-C<sub>3</sub>N<sub>4</sub> exhibited superior activity (80.4 %) of photocatalytic degradation for formaldehyde and satisfactory stability with 6.3 % decrease in degradation efficiency after five cycles. Enhanced photocatalytic performance compared to the other prepared catalysts was attributed to the regulation of band structure, the separation of photogenerated carriers and the absorption for HCHO. With the increase of Mo substitution, the band gap of Bi<sub>2</sub>W<sub>x</sub>Mo<sub>1-x</sub>O<sub>6</sub> solid solutions decreased from 2.79 eV to 2.22 eV. Theoretical calculation results also proved the broaden of photo response range. Mo element obviously changed the conduction band minimum of solid solution. BSS6/g-C<sub>3</sub>N<sub>4</sub> Z-scheme heterojunction effectively facilitated the separation of photogenerated h<sup>+</sup> and e<sup>-</sup>. Besides, theoretical calculation revealed that Mo substitution enhanced the absorption of solid solutions. This work was helpful to understand the structure-activity relationship between Z-scheme heterojunction and HCHO purification.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117493"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297237","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}
引用次数: 0
Recent advances in Per- and polyfluoroalkyl substances removal: Technologies, mechanisms and future prospects 全氟和多氟烷基物质去除的最新进展:技术、机制和未来展望
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117535
Jin-Chi Jiang , Donatella Nardiello , Zhi-Yuan Feng , Maurizio Quinto , Xiangai Zhao , Long-Yue Meng
{"title":"Recent advances in Per- and polyfluoroalkyl substances removal: Technologies, mechanisms and future prospects","authors":"Jin-Chi Jiang ,&nbsp;Donatella Nardiello ,&nbsp;Zhi-Yuan Feng ,&nbsp;Maurizio Quinto ,&nbsp;Xiangai Zhao ,&nbsp;Long-Yue Meng","doi":"10.1016/j.jece.2025.117535","DOIUrl":"10.1016/j.jece.2025.117535","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFASs), as \" forever chemicals\", their high chemical stability and environmental persistence characteristics, can cause persistent hazards to ecosystems and human health through bioaccumulation. However, the existing PFASs removal technologies (such as physical adsorption, chemical oxidation/reduction, biodegradation, etc.) still face bottleneck problems such as low efficiency, long reaction cycle, and high cost and energy consumption. Furthermore, there are significant gaps in the lack of comparison of different technologies at the cost and energy levels. This paper systematically sorts out the core mechanisms and parameters of mainstream technologies. While focusing on analyzing the mechanisms, material properties and influencing factors of different methods, it also focuses on the energy consumption/cost-efficiency balance of different technologies, and evaluates the feasibility and limitations of various technologies for removing PFASs. The aim is to explore the comprehensive performance of PFASs removal technology through a multi-dimensional evaluation. Finally, looking forward to future research directions, including the development of new and highly efficient catalysts, promoting microbial-chemical coupling processes, and advocating the development of dual-functional detection-removal integrated material technologies and equipment, to help build a safe and efficient PFASs green governance system and promote the development of environmental remediation technologies towards economic sustainability.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117535"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297326","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}
引用次数: 0
Insights into the capability of machine learning for predicting carbon flow in biowaste hydrothermal treatment under non-catalytic conditions 洞察机器学习在非催化条件下预测生物废物水热处理中碳流的能力
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117540
Yuchao Shao , Jialin Xue , Ting Zhang , Yujie Wang , Wenjing Lu , Yushuang Li , Jun Zhao
{"title":"Insights into the capability of machine learning for predicting carbon flow in biowaste hydrothermal treatment under non-catalytic conditions","authors":"Yuchao Shao ,&nbsp;Jialin Xue ,&nbsp;Ting Zhang ,&nbsp;Yujie Wang ,&nbsp;Wenjing Lu ,&nbsp;Yushuang Li ,&nbsp;Jun Zhao","doi":"10.1016/j.jece.2025.117540","DOIUrl":"10.1016/j.jece.2025.117540","url":null,"abstract":"<div><div>Hydrothermal technology can efficiently and highly valorize biomass waste into solid phase products (hydrochar), aqueous phase products, oil phase products, and gas phase products. The yield and characteristics of these products are significantly influenced by hydrothermal conditions, leading to cumbersome experiments and high cost inputs. Machine learning can predict the characteristics of target products under new conditions based on existing data. This study aims to predict the hydrothermal carbon flow of biomass waste under non-catalytic conditions. A hydrothermal carbon flow dataset for biowaste under non-catalytic conditions was established, and four machine learning models (ANN, GPR, PSO-LS-SVM, and RF) were used to predict the carbon flow of hydrothermal products. The results showed that the PSO-LS-SVM model has the highest prediction accuracy and stability (The highest R² value is &gt; 0.99 with a median &gt; 0.92). Feature importance analysis of the optimal model (PSO-LS-SVM) revealed that the biomass waste mass and vessel volume are the most critical parameters for predicting the mass of hydrochar, aqueous phase, and oil phase products, with significantly higher contributions than other variables and positive effects. Validation with new environmental data demonstrated that the model has excellent predictive capability, with minimal deviations between the predicted and experimental values. The R² values were mainly above 0.7, and some reach as high as 0.99. This study provides an important methodological support for the hydrothermal conversion of biomass waste.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117540"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144296926","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}
引用次数: 0
Exploring the gas separation of N2/CH4 mixture on nitrogen-modified graphene 氮改性石墨烯对N2/CH4混合物气体分离的研究
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117538
Shuang Wei , Shaobin Yang , Xu Zhang , Yingkai Xia , Lin He , Wei Dong , Ding Shen , Lailei Wu , Shulin Bai , Shuwei Tang
{"title":"Exploring the gas separation of N2/CH4 mixture on nitrogen-modified graphene","authors":"Shuang Wei ,&nbsp;Shaobin Yang ,&nbsp;Xu Zhang ,&nbsp;Yingkai Xia ,&nbsp;Lin He ,&nbsp;Wei Dong ,&nbsp;Ding Shen ,&nbsp;Lailei Wu ,&nbsp;Shulin Bai ,&nbsp;Shuwei Tang","doi":"10.1016/j.jece.2025.117538","DOIUrl":"10.1016/j.jece.2025.117538","url":null,"abstract":"<div><div>Doping represents a widely adopted approach to modulate the electronic characteristics of graphene surfaces. In particular, nitrogen-doped graphene has emerged as a promising, cost-effective adsorbent with high performance potential. In this study, Grand Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations were employed to investigate the adsorption and diffusion behaviors of N<sub>2</sub>/CH<sub>4</sub> mixtures within slit-shaped nanopores formed by graphic-N dopant graphene (NDG), with systematically varied nitrogen doping concentrations and pore widths. The results reveal that increasing nitrogen content enhances both the N<sub>2</sub>/CH<sub>4</sub> selectivity and the adsorption capacity. A maximum selectivity of 5.86 was achieved at 5.6 % NDG with 6.2 Å, where the NDG exhibited pronounced molecular sieving characteristics. At 298 K and 500 atm, the N<sub>2</sub> uptake exceeded 0.006 mmol/m<sup>2</sup>, while CH<sub>4</sub> adsorption was negligible. At narrower pore widths, N<sub>2</sub> adsorption was favored due to the combined effects of stronger thermodynamic interactions and smaller dynamic diameter, whereas in wider pores (beyond two atomic layers), thermodynamic factors dominated. Notably, at 1 atm, CH<sub>4</sub> adsorption reached 0.0094 mmol/m<sup>2</sup>-surpassing N<sub>2</sub> (0.0091 mmol/m<sup>2</sup>)-in NDG with 5.6 % doping and a 7.0 Å pore width. Potential of mean force (PMF) calculations further revealed distinct energy barriers for molecular transport, underscoring the critical influence of pore chemistry and geometry on diffusion selectivity. While the self-diffusion coefficient varied with molecular loading, the effect of nitrogen doping on gas diffusion was minimal. These findings underscore the potential of nitrogen-functionalized graphene for efficient N<sub>2</sub>/CH<sub>4</sub> separation and provide theoretical guidance for the rational design of advanced carbon-based adsorbents.</div></div>","PeriodicalId":15759,"journal":{"name":"Journal of Environmental Chemical Engineering","volume":"13 5","pages":"Article 117538"},"PeriodicalIF":7.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144296928","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}
引用次数: 0
Achieving carrier migration pathway transformation to enhance photocatalytic moxifloxacin degradation activity by regulating the Fermi Level of g-C3N4/ ZnIn2S4 through sulfur vacancies 通过硫空位调节g-C3N4/ ZnIn2S4的费米能级,实现载流子迁移途径转化,增强光催化莫西沙星降解活性
IF 7.4 2区 工程技术
Journal of Environmental Chemical Engineering Pub Date : 2025-06-10 DOI: 10.1016/j.jece.2025.117494
Han Sun , Yonghao Dong , Lei Wang , Xudong Wang , Junwei Xin , Jie Ren , Ruosong Jing , Jiayuan Yan , Yichun Xue , Keyan Zhao
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