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SSRN 2023年

作者： Guo, Yandong Song, Yingying Chen, Junwu Yuan, Menglei Dong, Kun Bohai University Liaoning Jinzhou121013 China Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China

Non-aqueous ionic liquids (ILs) with high solubility of both nitrogen and carbon dioxide have greater potential to be used as electrolytes for NRR and CO2RR due to reduced HER effects and high conductivity as well as low viscosity. However, conventional experimental methods for screening IL electrolytes are time-consuming and labor-intensive. In order to solve such difficulties, deep learning assisted screen of ILs was investigated in this work. The experimental data including six IL properties like viscosity, conductivity, melting point, density, nitrogen solubility, and carbon dioxide solubility of were collected approximately 40,000. The graph neural network model exhibited excellent ability in predicting performance in comparison to the traditional machine learning models. Furthermore, the transfer learning approach was employed to enhance the model prediction on a small dataset. A virtual database was constructed with 2 million IL structures to be used for high throughput screening. Using the properties of the IL [P6,6,6,14][eFAP] with higher Faradaic conversion efficiency as the input thresholds, we performed high throughput screening of the virtual dataset, obtained 141 ILs based on the Synthetic Complexity Score (SCScore), in which tetracyanoborate based ([B(CN)4]-) ILs and perchlorate based ([ClO4]-) ILs accounted for large percentages, and finally identified 8 ILs superior to [P6,6,6,14][eFAP] as ideal electrolyte materials for both NRR and CO2RR that have been reported to be synthesizable. Our works provides the effective tool for designing the novel IL-based electrolytes and will be helpful for the researchers who are seeking the ILs with benign ability in NRR and CO2RR. © 2023, The Authors. All rights reserved.

关键词： Ionic liquids

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

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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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Effects of Particle Size on the Crystallization Kinetics Characterization in Cao-Sio2 Based Glass, Part 1: In a Simple Crystallization process with Only One Crystal Phase

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SSRN 2024年

作者： Wang, Zhen Xu, Renze State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China

The typical silicate glass, CaO-SiO2-B2O3, that forms only one crystal (CaSiO3) during crystallization process was selected as a vehicle to study the influencing mechanisms of particle size in the crystallization kinetics. For the as-quenched glass, as the particle sizes of samples change from 2.5-1mm to © 2024, The Authors. All rights reserved.

关键词： Particle size

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Modeling Capillary Force Hysteresis in Liquid Bridge between Two Spheres of Unequal Sizes

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SSRN 2024年

作者： Hua, Leina Ge, Wei State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing101408 China

A theoretical model has been developed to predict the shape evolution and capillary force of a liquid bridge between two unequally sized spherical particles in the presence of contact angle hysteresis. Different from the previous models, the configurations of liquid bridge are classified into six categories, three convex cases and three concave cases, depending on the geometric properties. By comparing the addition of half-filling angle and contact angle to π/2 for each particle, the bridge configuration can be determined quickly. For each configuration, the closed-form expressions of geometry, volume, and capillary force of liquid bridge are derived based on the toroidal approximation. Theoretical predictions on the capillary force as a function of particle separation distance are compared to the closely related experimental data from open literature, involving only the stretching process and a complete stretching-compression loop of liquid bridge. During a dynamic evolution of liquid bridge, various bridge configurations could be identified reasonably, and the capillary force hysteresis could also be reproduced quantitatively well. The model provides a fast-computing method to understand complex geometry and estimate capillary force of tiny liquid droplets bridging the circularly moving solid surfaces in a variety of applications. © 2024, The Authors. All rights reserved.

关键词： Contact angle

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A facile ionic liquid approach to prepare cellulose fiber with good mechanical properties directly from corn stalks

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Green Energy & Environment 2020年第2期5卷 223-231页

作者： Jiming Yang Xingmei Lu Yanqiang Zhang Junli Xu Yongqing Yang Qing Zhou 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 SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China

It is very difficult to directly spin the lignocellulose without *** liquids(ILs)are promising solvent to dissolve lignocellulose to prepare cellulose ***,the degree of cellulose polymerization(DP)is reduced when lignocellulose is dissolved in ILs,and the lignin removal rate is *** elongation at break and tensile strength of the fibers obtained by spinning the lignocellulose dissolved in ILs are *** this paper,preparing cellulose fiber directly from lignocellulose based on dissolving corn stalk via[C4mim]Cl-L-arginine binary system is *** shows that the removal rate of lignin can reach 92.35%and the purity of cellulose can reach 85.32%after corn stalk was dissolved at 150℃C for 11.5 h when the mass fraction of arginine is 2.5%.The elongation at break of fiber reached 10.12%and the tensile strength reached 420 *** is mainly due to the fact that L-arginine not only inhibits the degradation of cellulose but also promotes the *** any pulping or pretreatment,preparing cellulose fibers via direct dissolution and extrusion may provide a simple and effective way to prepare many novel cellulose materials.

关键词： Cellulose fibers Ionic liquids Corn stalks Dissolving Directly spinning

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Science for This Age: Paradigm Shifts and Global Challenges

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engineering 2022年第12期19卷 22-23页

作者： Chao Dong Jinghai Li Daya Reddy National Natural Science Foundation of China Beijing 100085China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Cape Town Rondebosch 7701South Africa

Whether the goal is to meet global challenges or to enable a paradigm shift,it is always essential for science to move beyond conventional ***,the mutually beneficial interactions between global challenges and paradigm shifts require a great deal of *** this end,it is imperative for the scientific community not only to respond to major challenges by shifting paradigms in science but also to drive paradigm shifts in science by responding to major *** aim sets a higher bar for scientists as,in order to achieve it,we must properly identify the scientific questions in research and better utilize existing *** present,however,we are not paying sufficient attention to this aim,nor are we sufficiently competent in this *** is essential for the global scientific community to pay more attention to these interconnected issues of global challenges and paradigm shifts.

关键词： utilize properly mutually

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Enhanced valley polarization in WSe_(2)/YIG heterostructures via interfacial magnetic exchange effect

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Nano Research 2023年第7期16卷 10580-10586页

作者： Haihong Zheng Biao Wu Chang-Tian Wang Shaofei Li Jun He Zongwen Liu Jian-Tao Wang Guoqiang Yu Ji-An Duan Yanping Liu School of Physics and Electronics Hunan Key Laboratory for Super-microstructure and Ultrafast ProcessCentral South UniversityChangsha 410083China State Key Laboratory of Precision Manufacturing for Extreme Service Performance Central South UniversityChangsha 410083China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China School of Chemical and Biomolecular Engineering The University of SydneyNSW 2006Australia The University of Sydney Nano Institute The University of SydneyNSW 2006Australia Songshan Lake Materials Laboratory Dongguan 523808China Shenzhen Research Institute of Central South University Shenzhen 518057China

Exploiting the valley degrees of freedom as information carriers provides new opportunities for the development of *** transition metal dichalcogenides(TMDs)with broken space-inversion symmetry exhibit emerging valley pseudospins,making them ideal platforms for studying valley ***,intervalley scattering of different energy valleys limits the achievable degree of valley ***,we constructed WSe_(2)/yttrium iron garnet(YIG)heterostructures and demonstrated that the interfacial magnetic exchange effect on the YIG magnetic substrate can enhance valley polarization by up to 63%,significantly higher than that of a monolayer WSe_(2)on SiO_(2)/Si(11%).Additionally,multiple sharp exciton peaks appear in the WSe_(2)/YIG heterostructures due to the strong magnetic proximity effect at the magnetic-substrate interface that enhances exciton emission ***,under the effect of external magnetic field,the magnetic direction of the magnetic substrate enhances valley polarization,further demonstrating that the magnetic proximity effect regulates valley *** results provide a new way to regulate valley polarization and demonstrate the promising application of magnetic heterojunctions in magneto-optoelectronics.

关键词： magnetic exchange effect valley polarization two-dimensional valleytronics magnetic substrate

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A critical comparison of the implementation of granular pressure gradient term in Euler-Euler simulation of gas-solid flows

arXiv

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arXiv 2024年

作者： Liu, Yige He, Mingming Chen, Jianhua Li, Wen Zhao, Bidan Wang, Junwu State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China

Numerical solution of Euler-Euler model using different in-house, open source and commercial software can generate significantly different results, even when the governing equations and the initial and boundary conditions are exactly same. Unfortunately, the underlying reasons have not been identified yet. In this article, three methods for calculating the granular pressure gradient term are presented for two-fluid model of gas-solid flows and implemented implicitly or explicitly into the solver in OpenFOAM®: Method I assumes that the granular pressure gradient is equal to the elastic modulus plus the solid concentration gradient;Method II directly calculates the gradient using a difference scheme;Method III, which is proposed in this work, calculates the gradient as the sum of two partial derivatives: one related to the solid volume fraction and the other related to the granular temperature. Obviously, only Methods II and III are consistent with kinetic theory of granular flow. It was found that the difference between all methods is small for bubbling fluidization. While for circulating fluidization, both methods II and III are capable of capturing non-uniform structures and producing superior results over Method I. The contradictory conclusions made from the simulation of different fluidization regime is due to the different contribution of the term related to the granular temperature gradient. Present study concludes that implementation method of granular pressure gradient may have a significant impact on hydrodynamics and is probably a key factor contributing to the observed differences between different simulation software. Copyright © 2024, The Authors. All rights reserved.

关键词： Pressure gradient

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Unlocking the potential of polyester-polymer: Assisting cold sintering of insoluble ceramics

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Nano Materials Science 2024年

作者： Hu, Yue Jin, Quan Ma, Tiangang Qi, Jian Wang, Ke School of Materials Science and Engineering Jilin University 5988 Renmin Street Changchun130022 China Department of Respiratory Medicine The Second Norman Bethune Hospital of Jilin University The Central Laboratory of Jilin University Second Hospital 4026 Yatai Street Changchun130041 China State Key Laboratory of Biochemical Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China

The cold sintering process (CSP) is a green and innovative method of material densification at low temperatures (2O3 were successfully sintered below 100 °C, achieving 95–100 % densities in a short time (5–20 min). This achievement can be attributed to the low glass transition temperature and the abundance of active sites (C=O) of the polyester-polymer. The denser ceramics exhibited enhanced mechanical properties, with the compression strength of polymer-assisted CSP HA increasing by 147.3 % compared to the nanoparticles. Additionally, serving as an advanced bone substitute material, HA underwent quantitative analysis using the CCK-8 method and assessed the impact of polymer presence on cell proliferation and cytotoxicity. Meanwhile, a tight bonding between the polymer and ceramic materials was achieved during CSP, providing a generalized method for designing multifunctional ceramic-polymer. © 2024 Chongqing University

关键词： Hydroxyapatite

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Flexible and biocompatible poly(vinyl alcohol)/multi-walled carbon nanotubes hydrogels with epsilon-near-zero properties

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Journal of Materials Science & Technology 2022年第36期131卷 91-99页

作者： Jiahong Tian Runhua Fan Zheng Zhang Yang Li Haikun Wu Pengtao Yang Peitao Xie Wenxin Duan Chun-Sing Lee College of Ocean Science and Engineering Shanghai Maritime UniversityShanghai 201306China Department of Applied Mathematics The Hong Kong Polytechnic UniversityHong KongChina Department of Chemistry City University of Hong KongHong KongChina Hong Kong Branch of National Precious Metals Material Engineering Research Centre City University of Hong KongHong KongChina State Key Laboratory of Bio-Fibers and Eco-Textiles Institute of Biochemical Engineering College of Materials Science and EngineeringQingdao UniversityQingdao 266071China

Epsilon-near-zero(ENZ)material has been a research hotspot in recent years due to unique physical properties such as inverse Doppler effect and negative refractive index,showing great potentials in the fields of flexible electronics,wearable devices,sensors,*** ENZ materials are mostly reported at visible,infrared and terahertz wavelengths,while the report about ENZ materials at radio frequency is *** this work,flexible and biocompatible poly(vinyl alcohol)/multi-walled carbon nanotubes(PVA/MWCNTs)hydrogels,which were successfully fabricated by an environmentally friendly method,were used as ENZ materials at radio frequency for the first *** experiments proved that the experimental process and products are green,environmentally friendly and *** microstructure,crystalline structure,chemical composition and dielectric properties were *** different water states,which were free water molecules and bound water molecules,coexisted in these PVA/MWCNTs hydrogels and accounted for about 37.5 wt%and 15.9 wt%respectively by analyzing the thermogravimetric analysis *** the MWCNTs content reached 12 wt%and 15 wt%,the continuous conductive MWCNTs network was formed in the hydrogel,and ENZ phenomenon was observed at about 760 k Hz and 580 k Hz respectively,which was attributed to the interband *** the flexibility and non-toxicity of PVA/MWCNTs hydrogels,the ENZ properties of this structure at the radio frequency can be well used in wearable invisibility cloak,flexible electronics,skin sensors and other wearable devices.

关键词： Epsilon-near-zero Hydrogels Biocompatibility Negative permittivity

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