Green Energy & Environment最新文献_第5页

Hybrid Data-Driven and Physics-Based Modeling for Viscosity Prediction of Ionic Liquids 离子液体粘度预测的数据驱动和物理建模混合模型

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-22 DOI: 10.1016/j.gee.2024.01.007

Jing Fan, Zhengxing Dai, Jian Cao, Liwen Mu, Xiaoyan Ji, Xiaohua Lu

{"title":"Hybrid Data-Driven and Physics-Based Modeling for Viscosity Prediction of Ionic Liquids","authors":"Jing Fan, Zhengxing Dai, Jian Cao, Liwen Mu, Xiaoyan Ji, Xiaohua Lu","doi":"10.1016/j.gee.2024.01.007","DOIUrl":"https://doi.org/10.1016/j.gee.2024.01.007","url":null,"abstract":"Viscosity is one of the most important fundamental properties of fluids. However, accurate acquisition of viscosity for ionic liquids (ILs) remains a critical challenge. In this study, an approach integrating prior physical knowledge into the machine learning (ML) model was proposed to predict the viscosity reliably. The method was based on 16 quantum chemical descriptors determined from the first principles calculations and used as the input of the ML models to represent the size, structure, and interactions of the ILs. Three strategies based on the residuals of the COSMO-RS model were created as the output of ML, where the strategy directly using experimental data was also studied for comparison. The performance of six ML algorithms was compared in all strategies, and the CatBoost model was identified as the optimal one. The strategies employing the relative deviations were superior to that using the absolute deviation, and the relative ratio revealed the systematic prediction error of the COSMO-RS model. The CatBoost model based on the relative ratio achieved the highest prediction accuracy on the test set (R2 = 0.9999, MAE = 0.0325), reducing the average absolute relative deviation (AARD) in modeling from 52.45% to 1.54%. Features importance analysis indicated the average energy correction, solvation-free energy, and polarity moment were the key influencing the systematic deviation.","PeriodicalId":12744,"journal":{"name":"Green Energy & Environment","volume":"64 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2024-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139583259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Reusable Salt-template Strategy for Synthesis of Porous Nitrogen-rich Carbon Boosts H2S Selective Oxidation 用于合成多孔富氮碳的可重复使用盐模板策略可促进 H2S 选择性氧化

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-14 DOI: 10.1016/j.gee.2024.01.005

Xu Liu, Liang Shan, Xiaoxue Sun, Tianxin Wang, Zhongqing Liu, Yuefeng Liu

{"title":"Reusable Salt-template Strategy for Synthesis of Porous Nitrogen-rich Carbon Boosts H2S Selective Oxidation","authors":"Xu Liu, Liang Shan, Xiaoxue Sun, Tianxin Wang, Zhongqing Liu, Yuefeng Liu","doi":"10.1016/j.gee.2024.01.005","DOIUrl":"https://doi.org/10.1016/j.gee.2024.01.005","url":null,"abstract":"Removing hydrogen sulfide (H2S) via the selective oxidation has been considered an effective way to further purify the indusial sulfur-containing due to it can completely transform residual H2S into elemental sulfur. While N-doped porous carbon was applied to H2S selective oxidation, a sustainable methodology for the synthesis of efficient and stable N-doped carbon catalysts remains a difficulty, limiting its future development in large-scale applications. Herein, we present porous, honeycomb-like N-doped carbon catalysts with large specific surface areas, high pyridinic N content, and numerous structural defects for H2S selective oxidation prepared using reusable NaCl as the template. The as-prepared NC-10-800 catalyst exhibits excellent catalytic performance (sulfur formation rate of 784 gsulfur·kgcat.-1·h-1), outstanding stability (> 100 h), and excellent anti-water vapor, anti-CO2 and anti-oxidation properties, suggesting significant potential for practical industrial application. The characterization results and kinetic study demonstrate that the large surface areas and structural defects created by the molten salt at high temperature enhance the exposure of pyridinic N sites and thus accelerate the catalytic activity. Importantly, the water-soluble NaCl template could be easily washed from the carbon nanomaterials, and thus the downstream salt-containing wastewater could be subsequently reused for the dissolution of carbon precursors. This environment-friendly, low-cost, reusable salt-template strategy has significant implications for the development of N-doped carbon catalysts for practical applications.","PeriodicalId":12744,"journal":{"name":"Green Energy & Environment","volume":"107 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2024-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139471271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Ultrasonic enhancement of persulfate oxidation system governs emerging pollutants decontamination 超声波增强过硫酸盐氧化系统对新出现污染物的净化作用

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-14 DOI: 10.1016/j.gee.2024.01.004

Yanpan Li, Yanbo Zhou, Yi Zhou

引用次数: 0

Application of ionic liquids in single-molecule junctions: Recent advances and prospects 离子液体在单分子结中的应用：最新进展与前景

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-10 DOI: 10.1016/j.gee.2024.01.003

Li Zhou, Miao Zhang, Yani Huo, Liping Bai, Suhang He, Jinying Wang, Chuancheng Jia, Xuefeng Guo

{"title":"Application of ionic liquids in single-molecule junctions: Recent advances and prospects","authors":"Li Zhou, Miao Zhang, Yani Huo, Liping Bai, Suhang He, Jinying Wang, Chuancheng Jia, Xuefeng Guo","doi":"10.1016/j.gee.2024.01.003","DOIUrl":"https://doi.org/10.1016/j.gee.2024.01.003","url":null,"abstract":"Single-molecule junctions, integrating individual molecules as active components between electrodes, serve as fundamental building blocks for advanced electronic and sensing technologies. The application of ionic liquids in single-molecule junctions represents a cutting-edge and rapidly evolving field of research at the intersection of nanoscience, materials chemistry, and electronics. This review explores recent advances where ionic liquids function as electrolytes, dielectric layers, and structural elements within single-molecule junctions, reshaping charge transport, redox reactions, and molecular behaviors in these nanoscale systems. We comprehensively dissect fundamental concepts, techniques, and modulation mechanisms, elucidating the roles of ionic liquids as gates, electrochemical controllers, and interface components in single-molecule junctions. Encompassing applications from functional device construction to unraveling intricate chemical reactions, this review maps the diverse applications of ionic liquids in single-molecule junctions. Moreover, we propose critical future research topics in this field, including catalysis involving ionic liquids at the single-molecule level, functionalizing single-molecule devices using ionic liquids, and probing the structure and interactions of ionic liquids. These endeavors aim to drive technological breakthroughs in nanotechnology, energy, and quantum research.","PeriodicalId":12744,"journal":{"name":"Green Energy & Environment","volume":"68 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2024-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139421143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Corrigendum to ’Increasing the greenness of an organic acid through deep eutectic solvation and further polymerisation’ 通过深共晶溶解和进一步聚合提高有机酸的绿色环保性》的更正

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-08 DOI: 10.1016/j.gee.2024.01.002

Liteng Li, Xiaofang Li, Susu Zhang, Hongyuan Yan, Xiaoqiang Qiao, Hongyan He, Tao Zhu, Baokun Tang

引用次数: 0

Solar fuel production through concentrating light irradiation 通过聚光照射生产太阳能燃料

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-03 DOI: 10.1016/j.gee.2024.01.001

Yiwei Fu, Yi Wang, Jie Huang, Maochang Liu

引用次数: 0

Recent Advances in Phenazine-linked Porous Catalysts Toward Photo/electrocatalytic Applications and Mechanism 面向光催化/电催化应用和机理的吩嗪连接多孔催化剂的最新研究进展

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-02 DOI: 10.1016/j.gee.2023.12.006

Yang Liu, Yu Zhang, Zhao-Di Yang, Liqiang Jing

引用次数: 0

Efficient nitric oxide capture and reduction on Ni-loaded CHA zeolites 在镍负载的 CHA 沸石上高效捕获和还原一氧化氮

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-01 DOI: 10.1016/j.gee.2023.12.005

Bin Yue, Jianhua Wang, Shanshan Liu, Guangjun Wu, Bin Qin, Landong Li

{"title":"Efficient nitric oxide capture and reduction on Ni-loaded CHA zeolites","authors":"Bin Yue, Jianhua Wang, Shanshan Liu, Guangjun Wu, Bin Qin, Landong Li","doi":"10.1016/j.gee.2023.12.005","DOIUrl":"https://doi.org/10.1016/j.gee.2023.12.005","url":null,"abstract":"As a prominent contributor to air pollution, nitric oxide (NO) has emerged as a critical agent causing detrimental environmental and health ramifications. To mitigate emissions and facilitate downstream utilization, adsorption-based techniques offer a compelling approach for direct NO capture from both stationary and mobile sources. In this study, a comprehensive exploration of NO capture under oxygen-lean and oxygen-rich conditions was conducted, employing Ni ion-exchanged chabazite (CHA-type) zeolites as the adsorbents. Remarkably, Ni/Na-CHA zeolites, with Ni loadings ranging from 3 to 4 wt%, demonstrate remarkable dynamic uptake capacities and exhibit exceptional NO capture efficiencies (NO-to-Ni ratio) for both oxygen-lean (0.17–0.31 mmol/g, 0.32–0.43 of NO/Ni) and oxygen-rich (1.64–1.18 mmol/g) under ambient conditions. An NH3 reduction methodology was designed for the regeneration of absorbents at a relatively low temperature of 673 K. Comprehensive insights into the NOx adsorption mechanism were obtained through temperature-programmed desorption experiments, in situ Fourier transform infrared spectroscopy, and density functional theory calculations. It is unveiled that NO and NO2 exhibit propensity to coordinate with Ni2+ via N-terminal or O-terminal, yielding thermally stable complexes and metastable species, respectively, while the low-temperature desorption substances are generated in close proximity to Na+. This study not only offers micro-level perspectives but imparts crucial insights for the advancement of capture and reduction technologies utilizing precious-metal-free materials.","PeriodicalId":12744,"journal":{"name":"Green Energy & Environment","volume":"261 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139062163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Constructing interfacial electric field and Zn vacancy modulated ohmic junctions ZnS/NiS for photocatalytic H2 evolution 构建用于光催化 H2 演化的界面电场和锌空位调制欧姆结 ZnS/NiS

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2024-01-01 DOI: 10.1016/j.gee.2023.12.007

Yi-lei Li, Xu-jia Liu, Yun-biao Wang, Ying Liu, Rui-hong Liu, Hui-ying Mu, Ying-juan Hao, Xiao-jing Wang, Fa-tang Li

{"title":"Constructing interfacial electric field and Zn vacancy modulated ohmic junctions ZnS/NiS for photocatalytic H2 evolution","authors":"Yi-lei Li, Xu-jia Liu, Yun-biao Wang, Ying Liu, Rui-hong Liu, Hui-ying Mu, Ying-juan Hao, Xiao-jing Wang, Fa-tang Li","doi":"10.1016/j.gee.2023.12.007","DOIUrl":"https://doi.org/10.1016/j.gee.2023.12.007","url":null,"abstract":"Adjusting the interfacial transport efficiency of photogenerated electrons and the free energy of hydrogen adsorption through interface engineering is an effective means of improving the photocatalytic activity of semiconductor photocatalysts. Herein, hollow ZnS/NiS nanocages with ohmic contacts containing Zn vacancy (VZn-ZnS/NiS) are synthesized using ZIF-8 as templates. An internal electric field is constructed by Fermi level flattening to form ohmic contacts, which increase donor density and accelerate electron transport at the VZn-ZnS/NiS interface. The experimental and DFT results show that the tight interface and VZn can rearrange electrons, resulting in a higher charge density at the interface, and optimizing the Gibbs free energy of hydrogen adsorption. The optimal hydrogen production activity of VZn-ZnS/NiS is 10636 μmol h-1 g-1, which is 31.9 times that of VZn-ZnS. This study provides an idea for constructing sulfide heterojunctions with ohmic contacts and defects to achieve efficient photocatalytic hydrogen production.","PeriodicalId":12744,"journal":{"name":"Green Energy & Environment","volume":"76 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139062157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Methanol steam reforming for hydrogen production driven by an atomically precise Cu catalyst 利用原子级精确铜催化剂进行甲醇蒸汽转化制氢

IF 13.3 1区工程技术

Green Energy & Environment Pub Date : 2023-12-27 DOI: 10.1016/j.gee.2023.12.004

Weigang Hu, Haoqi Liu, Yuankun Zhang, Jiawei Ji, Guangjun Li, Xiao Cai, Xu Liu, Wen Wu Xu, Weiping Ding, Yan Zhu

引用次数: 0