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Systematic screening procedure and innovative energy-saving design for ionic liquid-based extractive distillation process

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Frontiers of Chemical Science and Engineering 2023年第1期17卷 34-45页

作者： Tuanjie Shen Liumei Teng yanjie hu Weifeng Shen Anhui XinShiJi Pharmaceutical Co. Ltd.Hefei 230000China School of Materials Science and Engineering Chongqing University of Arts and SciencesChongqing 402160China School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006China School of Chemistry and Chemical Engineering Chongqing UniversityChongqing 400044China

In the traditional extractive distillation process,organic solvents are often used as entrainers.However,environmental influence and high energy-consumption are significant problems in industrial application.In this study,a systematic screening strategy and innovative energy-saving design for ionic liquid-based extractive distillation process was proposed.The innovative energy-saving design focused on the binary minimum azeotrope mixtures isopropanol and water.Miscibility,environmental impact and physical properties(e.g.,melting point and viscosity)of 30 ionic liquids were investigated.1-Ethyl-3-methyl-imidazolium dicyanamide and 1-butyl-3-methyl-imidazolium dicyanamide were selected as candidate entrainers.Feasibility analysis of these two ionic liquids was further performed via residue curve maps,isovolatility line and temperature profiles.An innovative ionic liquid-based extractive distillation process combining distillation column and stripping column was designed and optimized with the objective function of minimizing the total annualized cost.The results demonstrate that the total annualized cost was reduced by 19.9%with 1-ethyl-3-methyl-imidazolium dicyanamide as the entrainer and by 24.3%with 1-butyl-3-methyl-imidazolium dicyanamide,compared with that of dimethyl sulfoxide.The method proposed in this study is conducive to the green and sustainable development of extractive distillation process.

关键词： ionic liquid entrainer screening feasibility analysis extractive distillation

Confining ultrahigh oxygen vacancy SnO_(2) nanocrystals into nitrogen-doped carbon for enhanced Li-ion storage kinetics and reversibility

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Journal of Energy Chemistry 2022年第6期31卷 450-455,I0013页

作者： Ying Liu Chen hu Ling Chen yanjie hu Hao Jiang Chunzhong Li Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237China Shanghai Engineering Research Center of Hierarchical Nanomaterials Frontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China

Oxygen vacancies (V_(o)) engineering has been deemed to an effective tactic for enhancing Li-ion storage kinetics and reversibility of SnO_(2)-based anode materials.Herein,we demonstrated the confinement of ultrahigh V_(o)SnO_(2) nanocrystals into N-doped carbon frameworks to boost their high-rate and cycle life.Density functional theory (DFT) calculations reveal that abundant V_(o) in SnO_(2) facilitates the adsorption to Li-ion with remarkably increased carrier concentration.The 6.0 nm-sized SnO_(2) particles and the embedded design effectively stabilize the structural integrity during de-/lithiation.Meantime,the as-formed large hetero-interface also expedites the electron transfer.These merits guarantee its high-rate performance and superior cycling stability.Consequently,this sample exhibits a high capacity of 1368.9m Ah g^(-1)at 0.1 A g^(-1),and can still maintain 488.5 mAh g^(-1)at 10 A g^(-1)and a long life over 400 cycles at 5 A g^(-1)with 96.6%capacity retention,which is among the best report for Sn-contained anode materials.This work sheds light on ultrahigh Vo and structural design in conversion-type oxides for highperformance lithium-ion batteries (LIBs).

关键词： Li-ion batteries SnO_(2) Oxygen vacancy Confined synthesis Rate capability

Restraining the escape of lattice oxygen enables superior cyclic performance towards high-voltage Ni-rich cathodes

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National Science Review 2023年第1期10卷 277-287页

作者： Haifeng Yu huawei Zhu Hongliang Jiang Xiaozhi Su yanjie hu Hao Jiang Chunzhong Li Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and Engineering East China University of Science and Technology Shanghai Engineering Research Center of Hierarchical Nanomaterials School of Chemical Engineering East China University of Science and Technology Shanghai Synchrotron Radiation Facility Shanghai Advanced Research Institute Chinese Academy of Sciences

Layered Ni-rich cathodes,operating at high voltage with superior cyclic performance,are required to develop future high-energy Li-ion batteries.However,the worst lattice oxygen escape at the high-voltage region easily causes structural instability,rapid capacity fading and safety issues upon cycling.Here,we report a dual-track strategy to fully restrain the escape of lattice oxygen from Ni-rich cathodes within 2.7-4.5 V by one-step Ta doping and CeO2coating according to their different diffusion energy barriers.The doped Ta can alleviate the charge compensation of oxygen anions as a positive charge centre to reduce the lattice oxygen escape and induce the formation of elongated primary particles,significantly inhibiting microcrack generation and propagation.Additionally,the layer of CeO2coating effectively captures the remaining escaped oxygen and then the captured oxygen feeds back into the lattice during subsequent discharge.The resultant Ni-rich cathode enables a capacity of 231.3 mAh g-1with a high initial coulombic efficiency of 93.5%.A pouch-type full cell comprising this cathode and a graphite anode exhibits>1000 times life cycles at 1C in the 2.7-4.5 V range,with 90.9% capacity retention.

关键词： Ni-rich cathode lattice oxygen dual modification long cycle life Li-ion battery

Atomic Interface Catalytically Synthesizing SnP/CoP Hetero-Nanocrystals within Dual-Carbon Hybrids for Ultrafast Lithium-Ion Batteries

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Engineering 2022年第11期18卷 154-160页

作者： Chen hu yanjie hu Aiping Chen Xuezhi Duan Hao Jiang Chunzhong Li Key Laboratory for Ultrafine Materials of Ministry of Education Frontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237China Shanghai Engineering Research Center of Hierarchical Nanomaterials School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China

Tin phosphides are attractive anode materials for ultrafast lithium-ion batteries(LIBs)because of their ultrahigh Li-ion diffusion capability and large theoretical-specific capacity.However,difficulties in synthesis and large size enabling electrochemical irreversibility impede their applications.Herein,an in situ catalytic phosphorization strategy is developed to synthesize SnP/CoP hetero-nanocrystals within reduced graphene oxide(rGO)-coated carbon frameworks,in which the SnP relative formation energy is significantly decreased according to density functional theory(DFT)calculations.The optimized hybrids exhibit ultrafast charge/discharge capability(260 mA·h·g^(-1)at 50 A·g^(-1))without capacity fading(645 mA·h·g^(-1)at 2 A·g^(-1))through 1500 cycles.The lithiation/delithiation mechanism is disclosed,showing that the 4.0 nm sized SnP/CoP nanocrystals possess a very high reversibility and that the previously formed metallic Co of CoP at a relatively high potential accelerates the subsequent reaction kinetics of SnP,hence endowing them with ultrafast charge/discharge capability,which is further verified by the relative dynamic current density distributions according to the finite element analysis.

关键词： Catalytic phosphorization SnP Hetero-nanocrystals Fast charging Li-ion batteries

Synthesis of silica powder with high pore volume by skeleton reinforcement

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Chinese Journal of Chemical Engineering 2022年第2期35卷 219-226页

作者： Hongwei Shan Xiaodong Zhou Hao Jiang yanjie hu Haibo Jiang Chunzhong Li Shanghai Engineering Research Center of Hierarchical Nanomaterials Key Laboratory for Ultrafine Materials of Ministry of EducationSchool of Chemical EngineeringEast China University of Science&TechnologyShanghai 200237China School of Materials Science and Engineering East China University of Science&TechnologyShanghai 200237China State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science&TechnologyShanghai 200237China

In this paper,a method composed of gelation of basic skeleton(first step)and skeleton reinforcement process(second step)was introduced to synthesize silica powder with high pore volume through the reaction between water glass and sulfuric acid.No organic solvents were involved in the entire preparation process and the final product was collected by spray drying.The effect of concentration of base solution,gelation point p H value and skeleton reinforcement time on the BET specific surface area and pore volume of the prepared silica powder were investigated intensively.The results show that,a basic skeleton with good dispersibility and high porosity was obtained when the concentration of base solution was 0.1 mol·L^(-1) and the gelation p H value reached 6.5.Then the basic skeleton grew into a more uniform porous structure after 30 min skeleton reinforcement.Under these optimum conditions,silica powder prepared by skeleton reinforcement method had a BET specific surface area of 358.0 m^(2)·g^(-1),and its pore volume reached 2.18 cm^(3)·g^(-1),which was much higher than that of prepared by skeleton-free method(1.62 cm^(3)·g^(-1))and by direct gelation method(0.31 cm^(3)·g^(-1)).

关键词： Water glass Silica powder High pore volume Skeleton reinforcement Spray drying

Numerical simulation of flow field and residence time of nanoparticles in a 1000-ton industrial multi-jet combustion reactor

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Chinese Journal of Chemical Engineering 2022年第11期51卷 86-99页

作者： Jie Ju Xianjian Duan Bismark Sarkodie yanjie hu Hao Jiang Chunzhong Li Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237China Guangzhou huifu Research Institute Co.Ltd. Guangzhou 510665China

In this work,by establishing a three-dimensional physical model of a 1000-ton industrial multi-jet combustion reactor,a hexahedral structured grid was used to discretize the model.Combined with realizable k–εmodel,eddy-dissipation-concept,discrete-ordinate radiation model,hydrogen 19-step detailed reaction mechanism,air age user-defined-function,velocity field,temperature field,concentration field and gas arrival time in the reactor were numerically simulated.The Euler–Lagrange method combined with the discrete-phase-model was used to reveal the flow characteristics of particles in the reactor,and based on this,the effects of the reactor aspect ratios,central jet gas velocity and particle size on the flow field characteristics and particle back-mixing degree in the reactor were investigated.The results show that with the decrease of aspect ratio in the combustion reactors,the velocity and temperature attenuation in the reactor are intensified,the vortex phenomenon is aggravated,and the residence time distribution of nanoparticles is more dispersed.With the increase in the central jet gas velocities in reactors,the vortex lengthens along the axis,the turbulence intensity increases,and the residence time of particles decreases.The back-mixing degree and residence time of particles in the reactor also decrease with the increase in particle size.The simulation results can provide reference for the structural regulation of nanoparticles and the structural design of combustion reactor in the process of gas combustion synthesis.

关键词： Combustion reactor Residence time distribution Particle flow trajectory Back-mixing Numerical simulation

Fe-doped and sulfur-enriched Ni3S2 nanowires with enhanced reaction kinetics for boosting water oxidation

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Green Chemical Engineering 2022年第4期3卷 367-373页

作者： Liyue Zhang Qiucheng Xu Rukai Zhao yanjie hu Hao Jiang Chunzhong Li Key Laboratory for Ultrafine Materials of Ministry of Education Frontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237China Shanghai Engineering Research Center of Hierarchical Nanomaterials School of Chemical EngineeringEast China University of Science and TechnologyShanghai200237China Section for Surface Physics and Catalysis(SurfCat) Department of PhysicsTechnical University of Denmark2800Kgs.LyngbyDenmark

Exploring cost-effective and highly-active oxygen evolution reaction(OER)electrocatalysts is a pressing task to propel water electrolysis for green hydrogen production.Herein,we constructed a class of Fe-doped and Senriched Ni_(3)S_(2)nanowires electrocatalysts for optimizing the target intermediates adsorption to decrease the OER overpotentials at various current densities.The optimal Ni_(3)S_(2)-1.4%Fe electrocatalyst possesses the most active sites and exhibits an ultralow overpotential of 190 mV at 10 mA cm^(-2) with an excellent stability of>60 h,exceeding the majority of recently-reported Ni_(3)S_(2)-based electrocatalysts.The trivalence Fe-doping not only reduces the electron density of the Ni center,but also enables the sulfur enrichment on the Ni_(3)S_(2) surface,which greatly improves the intrinsic activity and the number of target intermediates(*OOH).A novel methanol-assisted electrochemical evaluation further reveals that the Ni_(3)S_(2)-1.4%Fe electrocatalyst demonstrates a weaker binding ability to*OH with the rapid generation of*OOH species,and thus gives a lower apparent activation energy compared with the surface sulfur reduced ones.This work provides a new perspective for regulating the adsorption of intermediates through doping strategy.

关键词： Ni3S2 Electrocatalyst Water splitting Oxygen evolution reaction

Lithium-conductive LiNbO_(3) coated high-voltage LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2) cathode with enhanced rate and cyclability

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Green Energy & Environment 2022年第2期7卷 266-274页

作者： Haifeng Yu Shouliang Wang yanjie hu Guanjie He Le Quoc Bao Ivan P.Parkin Hao Jiang Key Laboratory for Ultrafine Materials of Ministry of Education Shanghai Engineering Research Center of Hierarchical NanomaterialsSchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237China Christopher Ingold Laboratory Department of ChemistryUniversity College London20 Gordon StreetLondonWC1H 0AJUK Faculty of Applied Sciences Ton Duc Thang University19 Nguyen Huu ThoDistrict 7Ho Chi Minh CityViet Nam

LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2)(NCM523) cathode materials can operate at extremely high voltages and have exceptional energy density.However,their use is limited by inherent structure instability during charge/discharge and exceptionally oxidizing Ni^(4+)at the surface.Herein,we have developed a citrate-assisted deposition concept to achieve a uniform lithium-conductive LiNbO_(3) coating layer on the NCM523 surface that avoids self-nucleation of Nb-contained compounds in solution reaction.The electrode-electrolyte interface is therefore stabilized by physically blocking the detrimental parasitic reactions and Ni^(4+)dissolution whilst still maintaining high Li+conductivity.Consequently,the modified NCM523 exhibits an encouraging Li-storage specific capacity of 207.4 m Ah g-1at 0.2 C and 128.9 m Ah g-1 at 10 C over the range 3.0-4.5 V.Additionally,a 92% capacity retention was obtained after 100 cycles at 1 C,much higher than that of the pristine NCM523(73%).This surface engineering strategy can be extended to modify other Ni-rich cathode materials with durable electrochemical performances.

关键词： coating exceptional Lithium

In situ surface engineering enables high interface stability and rapid reaction kinetics for Ni-rich cathodes

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eScience 2023年第1期3卷 38-44页

作者： Wenshuai Guo Wu Wei huawei Zhu yanjie hu Hao Jiang Chunzhong Li Shanghai Engineering Research Center of Hierarchical Nanomaterials School of Materials Science and EngineeringEast China University of Science and TechnologyShanghai 200237China Key Laboratory for Ultrafine Materials of Ministry of Education School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China

Layered oxide cathodes with high Ni content promise high energy density and competitive cost for Li-ion batteries(LIBs).However,Ni-rich cathodes suffer from irreversible interface reconstruction and undesirable cracking with severe performance degradation upon long-term operation,especially at elevated temperatures.Herein,we demonstrate in situ surface engineering of Ni-rich cathodes to construct a dual ion/electron-conductive NiTiO 3 coating layer and Ti gradient doping(NC90–Ti@NTO)in parallel.The dual-modification synergy helps to build a thin,robust cathode–electrolyte interface with rapid Li-ion transport and enhanced reaction kinetics,and effec-tively prevents unfavorable crystalline phase transformation during long-term cycling under harsh environments.The optimized NC90–Ti@NTO delivers a high reversible capacity of 221.0 mAh g^(-1) at 0.1C and 158.9 mAh g^(-1) at 10C.Impressively,it exhibits a capacity retention of 88.4%at 25?C after 500 cycles and 90.7%at 55?C after 300 cycles in a pouch-type full battery.This finding provides viable clues for stabilizing the lattice and interfacial chemistry of Ni-rich cathodes to achieve durable LIBs with high energy density.

关键词： Ni-rich cathode Surface engineering High energy density Interface stability Li-ion batteries