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Protic vs aprotic ionic liquid for CO2 fixation:A simulation study

green Energy & Environment 2020年第2期5卷 183-194页

作者： Wenzhong Sun Meichen Wang Yaqin Zhang Weilu Ding Feng Huo Li Wei Hongyan He School of Light Industry&Chemical Engineering Dalian Polytechnic UniversityDalian 116034China Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Dalian National Laboratory for Clean Energy Dalian 116023China

The cycloaddition of CO2 with epoxides catalyzed by ionic liquids(ILs)has been a widely ongoing studied hot topic over the *** experimental research has shown that the protic ionic liquids(PILs)behave stronger hydrogen proton donating ability than aprotic ionic liquids(APILs),and can effectively catalyze the cycloaddition of ***,the mechanistic explanation remains primarily ***,a detailed simulation study on the cycloaddition reaction catalyzed by PIL([HDBU][Mim])in comparison with APIL([MeDBU][Mim])re-action catalysts was conducted,including the three-step route(ring-opening of PO(propylene oxide),insertion of CO2 and ring-closure of propylene carbonate(PC))and two-step route(simultaneously ring-opening of PO and addition of CO2,and then ring-closure of PC).Based on the activation energy barrier of the rate-determining step,PIL preferentially activates PO as the optimal route for the reaction with the energy barrier of 23.2 kcal mol-1,while that of APIL is 31.2 kcal *** role of[HDBU]+in the reaction was also explored and found that the direct formation of intermolecular hydrogen bond(H-bond)between[HDBU]+and the reactants(PO+CO2)was unfavorable for the reaction,while the cooperation with the anion[Mim]-to assist indirectly was more *** fully consider the reaction microenvironment of ILs,ONIOM calculation was used to study the solvent *** last,the above conclusions were further verified by the analysis of intermediates with charge,non-covalent interaction(NCI),and atoms in molecules(AIM)*** computational findings show that ILs studied in this work have dual functions of catalyst and solvent,enabling a microscopic understanding of the ILs catalyst for CO2 utilization as well as providing guidance for the rational design of more efficient ILs-based catalysts.

关键词： Ionic liquid CO2 conversion Cycloaddition Synergistic catalysis DFT calculations

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Oxygen vacancies enriched nickel cobalt based nanoflower cathodes: Mechanism and application of the enhanced energy storage

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Journal of Energy Chemistry 2021年第11期30卷 252-261,I0006页

作者： Jiahui Ye Xingwu Zhai Long Chen Wen Guo Tiantian Gu Yulin Shi Juan Hou Fei Han Yi Liu Changchun Fan Gang Wang Shanglong Peng Xuhong Guo Key Laboratory for Green Process of Chemical Engineering of Xinjiang Bingtuan School of Chemistry and Chemical EngineeringShihezi UniversityShihezi 832003XinjiangChina Hunan Province Key Laboratory for Advanced Carbon Materials and Applied Technology College of Materials Science and EngineeringHunan UniversityChangsha 410082HunanChina Institut für Chemie AG ElektrochemieTechnische Universität ChemnitzChemnitz 09111Germany National&Local Joint Engineering Laboratory for Optical Conversion Materials and Technology School of Physical Science and TechnologyLanzhou UniversityLanzhou 730000GansuChina State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China

The rational design of oxygen vacancies and electronic microstructures of electrode materials for energy storage devices still remains a challenge. Herein, we synthesize nickel cobalt-based oxides nanoflower arrays assembled with nanowires grown on Ni foam via the hydrothermal process followed annealing process in air and argon atmospheres respectively. It is found that the annealing atmosphere has a vital influence on the oxygen vacancies and electronic microstructures of resulting NiCo_(2)O_(4) (NCO-Air) and CoNiO_(2) (NCO-Ar) products, which NCO-Ar has more oxygen vacancies and larger specific surface area of 163.48 m^(2)/g. The density functional theory calculation reveals that more oxygen vacancies can provide more electrons to adsorb –OH free anions resulting in superior electrochemical energy storage performance. Therefore, the assembled asymmetric supercapacitor of NCO-Ar//active carbon delivers an excellent energy density of 112.52 Wh/kg at a power density of 558.73 W/kg and the fabricated NCO-Ar//Zn battery presents the specific capacity of 180.20 mAh/g and energy density of 308.14 Wh/kg. The experimental measurement and theoretical calculation not only provide a facile strategy to construct flower-like mesoporous architectures with massive oxygen vacancies, but also demonstrate that NCO-Ar is an ideal electrode material for the next generation of energy storage devices.

关键词： NiCo_(2)O_(4) CoNiO_(2) Supercapacitor Oxygen vacancy defects Flower-like microstructure

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Heterostructured Coo/Mob Mbene Composites for High Performance Lithium-Ion Batteries Anode

SSRN

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SSRN 2024年

作者： Wang, Shixin Gao, Yuzhe Yang, Zhanshu Zhou, Hui Ni, Desheng Li, Chuanbo Li, Qi Zhang, Xiaoming School of Science Minzu University of China Beijing100081 China Optoelectronics Research Center Minzu University of China Beijing100081 China State Key Laboratory of Biochemical Engineering Institute of Process Engineering Key Laboratory of Biopharmaceutical Preparation and Delivery Chinese Academy of Sciences Beijing100190 China

SUMMARYThe transition metal oxide CoO has garnered significant attention as a potential anode material for lithium-ion batteries (LIBs), owing to its impressive theoretical specific capacity and high energy density. However, pristine CoO often suffer from structural collapse under high current densities, particularly during extended cycling, which results in decreased conductivity, volume expansion, and subsequent capacity fade. To address these challenges, we have developed a method to in-situ grow octahedral CoO nanoparticles on layered two-dimensional MoB MBene through a solvothermal approach. The strategic choice of ethanol as the dispersion solvent effectively mitigates surface oxidation of MoB MBene, thereby facilitating high-speed Li+ and electron transport channels. Furthermore, the matching layer spacing and the formation of a heterojunction between CoO and MoB MBene effectively accommodate the volume expansion of CoO during cycling. As anticipated, the CoO/MoB MBene anode demonstrates exceptional performance, with a specific capacity of 819.8 mAh/g after 200 cycles at 100 mA/g—a remarkable 2.58-fold improvement compared to pristine CoO. Even at a higher current density of 1000 mA/g, the composite maintains a capacity of 601.3 mAh/g after 600 charge-discharge cycles, while the pristine material only retains 142.4 mAh/g. This breakthrough is attributed to the combination of mild chemical scissor etching and solvothermal synthesis, which enables the design and preparation of high-capacitance energy storage materials for LIB anodes. Our findings suggest that the CoO/MoB MBene composite holds great promise for enhancing the performance of LIBs and may pave the way for the development of advanced anode materials. © 2024, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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Covalent Modification of Hemp Seed Polyphenols Improves the Structural and Functional Properties of the Main Hemp Seed Protein Fraction

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SSRN 2023年

作者： Xu, Peng-Wei Yuan, Xiao-Fan Zhao, Bing State Key Laboratory of Biochemical Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China University of Chinese Academy of Sciences Beijing100049 China

In this study, conjugate complexes between the main hemp seed protein fraction, e.g., albumin (ALB) and globulin (GLB), and hemp seed polyphenols (HSP) were prepared through alkalinity grafting modification. The effects of covalent modification with different HSP concentrations (1-5%, w/w) on the structural properties of the protein were studied. The increase in polyphenol grafting equivalent;the decrease in free amino content, sulfhydryl group content, and intrinsic fluorescence intensity;and the change in surface hydrophobicity confirmed the protein-polyphenols covalent interaction enhanced with the HSP content from 1% to 5%. Moreover, UV-visible spectrum, SDS-PAGE, FTIR, and CD analysis showed that the secondary and tertiary structures of the ALB/GLB modified by 5% HSP was changed. Furthermore, ALB/GLB modified by 5% HSP had more excellent antioxidant activities, emulsifying capacity, digestibility, but lower solubility than the corresponding ALB/GLB. These results suggested that the protein-polyphenols conjugate complexes may be used in food formulations as functional ingredients. © 2023, The Authors. All rights reserved.

关键词： Proteins

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Concepts, processing, and recent developments in encapsulating essential oils

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Chinese Journal of Chemical engineering 2021年第2期34卷 255-271页

作者： Qirui Tian Weiqing Zhou Qiong Cai Guanghui Ma Guoping Lian Department of Chemical and Process Engineering University of SurreyGuildford GU27XHUK State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences School of Chemical SciencesBeijing 100049China Unilever Research Colworth Colworth ParkSharnbrookBedfordshire MK441LQUK

By the virtue of their olfactory,physicochemical,and biological characteristics,essential oils(EOs)have drawn wide attention as additives in daily chemicals like perfume or personal care ***,they are physicochemically unstable and susceptible to degradation or *** offers a feasible strategy to stabilize and prolong release of *** review summarizes the recognized benefits and functional properties of various preparation and characterization methods,wherein innovative fabrication strategies and their formation mechanisms are especially *** in combining detecting/measuring technologies with kinetic modelling are discussed,to give an integral approach of controlling the dynamic release of encapsulated ***,new development trends of EOs capsules are also highlighted.

关键词： Essential oils Encapsulation Sustained release

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green Recycling Assessment on Typical Spent Lithium-Ion Batteries (Libs): A Multi-Objective Assessment

SSRN

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SSRN 2023年

作者： Ren, Zhijun Li, Huajie Wang, Yuting Zhang, Guangming Wang, Pengfei Lv, Longyi Sun, Zhi Gao, Wenfang Tianjin Key Laboratory of Clean Energy and Pollution Control School of Energy and Environmental Engineering Hebei University of Technology Tianjin300401 China National Key Laboratory of Biochemical Engineering Beijing Engineering Research Centre of Process Pollution Control Institute of Process Engineering Innovation Academy for Green Manufacture Chinese Academy of Sciences Beijing100190 China

Recycling of spent lithium-ion batteries (LIBs) is an efficient solution for resource supply crisis and severe environmental pollution. However, the comprehensive evaluation on resource criticality and environmental impact were neglected in the life cycle assessment (LCA). In this study, a green recycling assessment methodology was proposed associated with raw material criticality assessment, system operation elements analysis and comprehensive environmental assessment (CEA). The hydrometallurgical, pyrometallurgical and direct recycling processes of lithium nickel manganese cobalt oxide (NMC) and lithium iron phosphate (LFP) were selected as 6 typical recycling processes. Under the multi-objective assessment, the green recycling grades (G) was classified into 10 grades, and the direct recycling process of NMC and LFP were the two greenest recycling processes with the G value of 9.66 and 9.58. This research established the green recycling assessment methodology for spent LIBs, which could guide the green development of spent LIBs recycling industry. © 2023, The Authors. All rights reserved.

关键词： Recycling

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An Organic-Inorganic Interface Structure for Cfrp And the Enhancement of Mechanical Properties at Room/High Temperature

SSRN

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SSRN 2024年

作者： Tong, Yuchen Hu, Zhufeng Zhao, Wen Wang, Duo Bai, Huijuan Xu, Junbo Yang, Chao State Key Laboratory of Petroleum Molecular & Process Engineering CAS Key Laboratory of Green Process and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China Aerospace Special Materials and Technology of Research Institute Beijing100074 China Department of Mechanical Engineering City University of Hong Kong Hong Kong999077 Hong Kong

The performance of carbon fiber reinforced polymers (CFRP) depends on various factors, with particular emphasis on the intricate microscopic interface. Through the combined interface modification by nanomaterials (ZrO2) and polyimide (PI), an organic-inorganic interface enhanced structure of CFRP have been successfully devised and fabricated. The analysis encompassed the surface morphology, contact angle and surface energy of carbon fibers (CF), aimed at characterizing the interaction of grafted ZrO2/PI on interfacial properties. Single fiber pull-out testing was employed to ascertain both the failure mode of the interface and the interfacial shear strength (IFSS). The results revealed that the surface modification augmented the IFSS by 69%. The fortified organic-inorganic interface layer resulted in enhancements of 14% and 15% in tensile strength and flexural strength, respectively, in comparison to untreated CFRP. Moreover, even under high-temperature conditions (300℃), the tensile properties of CFRP exhibited only 22% reduction, this result demonstrates the advantages of composites in harsh environments. This can be primarily attributed to the strengthened layers of ZrO2/PI, which securely anchored the matrix and reinforcement, thereby mitigating stress concentration in CFRP under extreme conditions. © 2024, The Authors. All rights reserved.

关键词： Tensile strength

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Cell-Wall Based Aerogel for CE (Ⅲ) Adsorption from Leaching Tailing: Property and Mechanistic Research

SSRN

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SSRN 2023年

作者： Zhao, Hui Yao, Haoyu Zhao, Feifei Yang, Liangrong Wu, Lianying Liang, Xiangfeng Liu, Huizhou Yu, Changjiang College of Chemistry and Chemical Engineering Ocean University of China Qingdao266071 China Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences Qingdao266061 China Shandong Energy Institute Qingdao266061 China CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Biochemical Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China

Efficient separation of rare earth elements (REEs) from leaching tailing is of great significance for environmental protection and full utilization of resources. Cell-wall is rich in various active groups which can efficiently adsorb REEs. In this work, a series of composite aerogels based on pectin and cellulose (the key active components in cell-wall) were fabricated for effectively adsorption of Ce (Ⅲ) from leaching tailing. The physical and chemical property of composite aerogels were characterized by SEM, FT-IR, XRD, contact angle measuring instrument and zeta potentiometer. The adsorption capacity was measured under different conditions. The fitting of isothermal adsorption model showed that the adsorption conforms to Langmuir model and the maximum adsorption capacity of Ce (Ⅲ) was 337.36 mg/g at pH 6. Kinetic fitting indicated that the adsorption process conforms to the second-order kinetic model. Composite aerogels have an excellent regeneration performance. Adsorption process is realized by electrostatic interaction, ion exchange with -COO- and chelation with C-NH2. The actual adsorption in leaching tailing showed that the adsorption efficiency of composite aerogels for Ce (Ⅲ) and Eu (Ⅲ) can reach 68 % and 81 % respectively, which have good practicability. © 2023, The Authors. All rights reserved.

关键词： Aerogels

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Manganese-promoted Ni/Al2O3 catalysts for effective CO2 methanation

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Journal of Catalysis 2025年 448卷

作者： Zhang, Wenhao shen, Liang Xu, Longhao Zhou, Fayang Sun, Fengyin Xu, Jing Zhu, Minghui State Key Laboratory of Green Chemical Engineering and Industrial Catalysis School of Chemical Engineering East China University of Science and Technology 130 Meilong Road Shanghai200237 China Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology School of Chemistry and Chemical Engineering Guangxi University Nanning530004 China

Hydrogenation of CO2 to methane is a feasible solution to the growing global environmental and energy challenges. Nickel-based catalysts are efficient and cost effective for CO2 methanation. Hernin, we synthesized Mn-promoted Ni/Al2O3 catalysts with facilitated CO2 methanation and elucidated the crucial role of Mn. After Mn doping, NiMn/Al2O3 catalysts showed improved NiO dispersion. Subsequently, H2 reduction and CO2 methanation treatments resulted in reduction of NiO and MnO2 into Ni and MnO, and incorporation of Ni2+ into MnO lattice, forming NiMnOx and creating numerous Ni-NiMnOx interfaces. The abundant oxygen vacancies from NiMnOx could enhance CO2 activation. Moreover, oxygen vacancies at the interface also promote electron transfer from Ni and MnO, leading to electron-poor Ni nanoparticles and thus significantly promoting the *CO methanation. Ultimately, the electron-poor Ni nanoparticles and abundant oxygen vacancies at the Ni-NiMnOx interface jointly facilitate CO2 methanation. © 2025 Elsevier Inc.

关键词： Methanation

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Thermodynamic Modeling and process Evaluation of Advanced Ionic Liquid-Based Solvents for Co2/Ch4 Separation

SSRN

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SSRN 2024年

作者： Yin, Haichuan Ma, Chunyan Duan, Yuanmeng Shi, Sensen Zeng, Shaojuan Han, Wei Zhang, Xiangping State Key Laboratory of Heavy Oil Processing College of Chemical Engineering and Environment China University of Petroleum Beijing102249 China CAS Key Laboratory of Green Process and Engineering Beijing Key Laboratory of Ionic Liquids Clean Process Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China KTH Royal Institute of Technology Department of Chemical Engineering Stockholm11428 Sweden Division of Environment and Sustainability The Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong

Carbon capture technology is a prospective strategy to address the increasing concentration of CO2 in the atmosphere, with the core challenge of developing new cost-effective processes. In this work, the energy analysis and economic evaluation were conducted based on rigorous thermodynamic models and the process simulation results of a novel chemical absorption-dominated hybrid solvent which consists of functional ionic liquid of choline triazole ([Cho][Triz]) and sulfolane (TMS) to separate CO2 from shale gas. The solubility of CO2 and CH4 in different solvents were calculated using phase equilibrium model including the NRTL activity coefficient equation, the RK equation of state, chemical reaction equilibrium equations, and the mass balance equation. The physical properties of the ionic liquid-based solvent systems were calculated with empirical equations which was corrected using experimental data. The results obtained from the thermodynamic models exhibited good agreement with experimental data. Subsequently, the established models and the parameters obtained were embedded into Aspen Plus for further analysis. The total CO2 capture energy consumption of 1.65 GJ.t-1 CO2 and the cost of 48.07 $.t-1 CO2 were achieved using the new solvent when the mass fraction of IL was 60 wt%. Compared with the commercial 30 wt% MDEA carbon capture process, it reduced the energy consumption and economic cost of 64.16% and 45.59%, respectively. © 2024, The Authors. All rights reserved.

关键词： Energy utilization

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