• Title/Summary/Keyword: Porous framework

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Development of Homogenization Data-based Transfer Learning Framework to Predict Effective Mechanical Properties and Thermal Conductivity of Foam Structures (폼 구조의 유효 기계적 물성 및 열전도율 예측을 위한 균질화 데이터 기반 전이학습 프레임워크의 개발)

  • Wonjoo Lee;Suhan Kim;Hyun Jong Sim;Ju Ho Lee;Byeong Hyeok An;Yu Jung Kim;Sang Yung Jeong;Hyunseong Shin
    • Composites Research
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    • v.36 no.3
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    • pp.205-210
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    • 2023
  • In this study, we developed a transfer learning framework based on homogenization data for efficient prediction of the effective mechanical properties and thermal conductivity of cellular foam structures. Mean-field homogenization (MFH) based on the Eshelby's tensor allows for efficient prediction of properties in porous structures including ellipsoidal inclusions, but accurately predicting the properties of cellular foam structures is challenging. On the other hand, finite element homogenization (FEH) is more accurate but comes with relatively high computational cost. In this paper, we propose a data-driven transfer learning framework that combines the advantages of mean-field homogenization and finite element homogenization. Specifically, we generate a large amount of mean-field homogenization data to build a pre-trained model, and then fine-tune it using a relatively small amount of finite element homogenization data. Numerical examples were conducted to validate the proposed framework and verify the accuracy of the analysis. The results of this study are expected to be applicable to the analysis of materials with various foam structures.

Preparation of Co3O4/NF Anode for Lithium-ion Batteries

  • Tian, Shiyi;Li, Botao;Zhang, Bochao;Wang, Yang;Yang, Xu;Ye, Han;Xia, Zhijie;Zheng, Guoxu
    • Journal of Electrochemical Science and Technology
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    • v.11 no.4
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    • pp.384-391
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    • 2020
  • Due to its characteristics of light weight, high energy density, good safety, long service life, no memory effect, and environmental friendliness, lithium-ion batteries (LIBs) are widely used in various portable electronic products. The capacity and performance of LIBs largely depend on the performance of electrode materials. Therefore, the development of better positive and negative materials is the focus of current research. The application of metal organic framework materials (MOFs) derivatives in energy storage has attracted much attention and research. Using MOFs as precursors, porous metal oxides and porous carbon materials with controllable structure can be obtained. In this paper, rod-shaped Co-MOF-74 was grown on Ni Foam (NF) by hydrothermal method, and then Co-MOF-74/NF precursor was heat-treated to obtain rodshaped Co3O4/NF. Ni Foam was skeleton structured, which effectively relieved. The change of internal stress changes and destroys the structural volume of the electrode material and reduces the capacity attenuation. Co3O4/NF composite material has a specific discharge capacity of up to 1858 mA h/g for the first time, and a reversible capacity of up to 902.4 mA h/g at a current density of 200 mA/g, and has excellent rate and impedance performance. The synthesis strategy reported in this article opens the way to design high-performance electrodes for energy storage and electrochemical catalysis.

CH4/N2 Separation on Flexible Metal-Organic Frameworks(MOFs) (플렉서블한 금속-유기 골격체(MOFs)를 활용한 메탄/질소 분리)

  • Jung, Minji;Park, Jawoo;Oh, Hyunchul
    • Korean Journal of Materials Research
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    • v.28 no.9
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    • pp.506-510
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    • 2018
  • Nitrogen is a serious contaminant in natural gas because it decreases the energy density. The natural gas specification in South Korea requires a $N_2$ content of less than 1 mol%. Thus, cost-effective $N_2$ removal technology from natural gas is necessary, but until now the only option has been energy-intensive processes, e.g., cryogenic distillation. Using porous materials for the removal process would be beneficial for an efficient separation of $CH_4/N_2$ mixtures, but this still remains one of the challenges in modern separation technology due to the very similar size of the components. Among various porous materials, metal-organic frameworks (MOFs) present a promising candidate for the potential $CH_4/N_2$ separation material due to their unique structural flexibility. A MIL-53(Al), the most well-known flexible metal-organic framework, creates dynamic changes with closed pore (cp) transitions to open pores (ops), also called the 'breathing' phenomenon. We demonstrate the separation performance of $CH_4/N_2$ mixtures of MIL-53(Al) and its derivative $MIL-53-NH_2$. The $CH_4/N_2$ selectivity of $MIL-53-NH_2$ is higher than pristine MIL-53(Al), suggesting a stronger $CH_4$ interaction with $NH_2$.

Embedding Cobalt Into ZIF-67 to Obtain Cobalt-Nanoporous Carbon Composites as Electrode Materials for Lithium ion Battery

  • Zheng, Guoxu;Yin, Jinghua;Guo, Ziqiang;Tian, Shiyi;Yang, Xu
    • Journal of Electrochemical Science and Technology
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    • v.12 no.4
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    • pp.458-464
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    • 2021
  • Lithium ion batteries (LIBs) is a kind of rechargeable secondary battery, developed from lithium battery, lithium ions move between the positive and negative electrodes to realize the charging and discharging of external circuits. Zeolitic imidazolate frameworks (ZIFs) are porous crystalline materials in which organic imidazole esters are cross-linked to transition metals to form a framework structure. In this article, ZIF-67 is used as a sacrificial template to prepare nano porous carbon (NPC) coated cobalt nanoparticles. The final product Co/NPC composites with complete structure, regular morphology and uniform size were obtained by this method. The conductive network of cobalt and nitrogen doped carbon can shorten the lithium ion transport path and present high conductivity. In addition, amorphous carbon has more pores that can be fully in contact with the electrolyte during charging and discharging. At the same time, it also reduces the volume expansion during the cycle and slows down the rate of capacity attenuation caused by structure collapse. Co/NPC composites first discharge specific capacity up to 3115 mA h/g, under the current density of 200 mA/g, circular 200 reversible capacity as high as 751.1 mA h/g, and the excellent rate and resistance performance. The experimental results show that the Co/NPC composite material improves the electrical conductivity and electrochemical properties of the electrode. The cobalt based ZIF-67 as the precursor has opened the way for the design of highly performance electrodes for energy storage and electrochemical catalysis.

Facile Synthesis of M-MOF-74 (M=Co, Ni, Zn) and its Application as an ElectroCatalyst for Electrochemical CO2 Conversion and H2 Production

  • Choi, Insoo;Jung, Yoo Eil;Yoo, Sung Jong;Kim, Jin Young;Kim, Hyoung-Juhn;Lee, Chang Yeon;Jang, Jong Hyun
    • Journal of Electrochemical Science and Technology
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    • v.8 no.1
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    • pp.61-68
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    • 2017
  • Electrochemical conversion of $CO_2$ and production of $H_2$ were attempted on a three-dimensionally ordered, porous metal organic framework (MOF-74) in which transition metals (Co, Ni, and Zn) were impregnated. A lab-scale proton exchange membrane-based electrolyzer was fabricated and used for the reduction of $CO_2$. Real-time gas chromatography enabled the instantaneous measurement of the amount of carbon monoxide and hydrogen produced. Comprehensive calculations, based on electrochemical measurements and gaseous product analysis, presented a time-dependent selectivity of the produced gases. M-MOF-74 samples with different central metals were successfully obtained because of the simple synthetic process. It was revealed that Co- and Ni-MOF-74 selectively produce hydrogen gas, while Zn-MOF-74 successfully generates a mixture of carbon monoxide and hydrogen. The results indicated that M-MOF-74 can be used as an electrocatalyst to selectively convert $CO_2$ into useful chemicals.

Controlling Pore Size of Electrospun Silk Fibroin Scaffold for Tissue Engineering (전기방사를 이용한 조직공학용 실크 피브로인 나노 섬유 지지체의 기공 크기 조절)

  • Cho, Se-Youn;Park, Hyun-Ho;Jin, Hyoung-Joon
    • Polymer(Korea)
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    • v.36 no.5
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    • pp.651-655
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    • 2012
  • Considerable effort has been directed toward the use of silk fibroin as a biotechnological material in biomedical applications on account of its excellent biodegradability, biocompatibility, and unique mechanical properties. For use in tissue engineering, it is very important to design and control the pore architecture of polymeric scaffolds, which provide the vital framework for seeded cells to organize into functioning tissue. In the present study, a silk fibroin scaffold with controlled interconnectivity and pore size was prepared using an electrospinning method with poly(ethylene oxide).

Unsteady Single-Phase Natural Circulation Flow Mixing Prediction Using CATHARE Three-Dimensional Capabilities

  • Salah, Anis Bousbia;Vlassenbroeck, Jacques
    • Nuclear Engineering and Technology
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    • v.49 no.3
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    • pp.466-475
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    • 2017
  • Coolant mixing under natural circulation flow regime constitutes a key parameter that may play a role in the course of an accidental transient in a nuclear pressurized water reactor. This issue has motivated some experimental investigations carried out within the OECD/NEA PKL projects. The aim was to assess the coolant mixing phenomenon in the reactor pressure vessel downcomer and the core lower plenum under several asymmetric steady and unsteady flow conditions, and to provide experimental data for code validations. Former studies addressed the mixing phenomenon using, on the one hand, one-dimensional computational approaches with cross flows that are not fully validated under transient conditions and, on the other hand, expensive computational fluid dynamic tools that are not always justified for large-scale macroscopic phenomena. In the current framework, an unsteady coolant mixing experiment carried out in the Rossendorf coolant mixing test facility is simulated using the three-dimensional porous media capabilities of the thermal-hydraulic system CATHARE code. The current study allows highlighting the current capabilities of these codes and their suitability for reproducing the main phenomena occurring during asymmetric transient natural circulation mixing conditions.

Preparation of Well-Dispersed Nanosilver in MIL-101(Cr) Using Double-Solvent Radiation Method for Catalysis

  • Chang, Shuquan;Liu, Chengcheng;Fu, Heliang;Li, Zheng;Wu, Xian;Feng, Jundong;Zhang, Haiqian
    • Nano
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    • v.13 no.12
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    • pp.1850145.1-1850145.8
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    • 2018
  • In this study, a double-solvent radiation method is proposed to prepare silver nanoparticles in the pores of metal-organic framework MIL-101(Cr). The results reveal that well-dispersed silver nanoparticles with a diameter of about 2 nm were successfully fabricated in the cages of monodisperse octahedral MIL-101(Cr) with a particle size of about 400 nm. The structure of MIL-101(Cr) was not destroyed during the chemical treatment and irradiation. The resulting Ag/MIL-101 exhibits excellent catalytic performance for the reduction of 4-nitrophenol. This method can be extended to prepare other single or bimetallic components inside porous materials.

2D-Covalent organic frameworks for bioimaging and therapeutic applications

  • Chanho Park;Dong Wook Kim
    • Journal of Radiopharmaceuticals and Molecular Probes
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    • v.6 no.2
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    • pp.171-176
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    • 2020
  • Covalent organic frameworks (COFs) are porous crystalline polymers in which organic units are linked by covalent bonds and have a regular arrangement at the atomic level. Recently, the COFs have been much attention in bio-medical area such as bio-imaging, drug delivery, and therapeutics. These 2D nanoparticles are proving their value in nanomedicine due to their large surface area, functionalization through functional groups exposed on the surface, chemical stability due to covalent bonding, and high biocompatibility. The high ω-electron density and crystallinity of COFs makes it a promising candidate for bioimaging probes, and its porosity and large surface area make it possible to be utilized as a drug delivery vehicle. However, the low dispersibility in water, the cytotoxicity problems of COFs are still challenged to be solved in the future. In this regard, several efforts that increase the degree of dispersion through functionalization on the surface of COFs for the application to the biomedical field have been reported. In this review, we would like to describe the advantages and limitations of COFs for bio-imaging and anti-cancer treatment.

Fabrication and analysis of electrochemical performance for energy storage device composed of metal-organic framework(MOF)/porous activated carbon composite material (금속유기골격체(Metal-organic Framework) 소재가 첨가된 다공성 활성탄소 복합재료 전극 기반의 에너지 저장 매체 제조 및 전기화학적 특성 분석)

  • Lee, Kyu Seok;Jeong, Hyeon Taek
    • Journal of the Korean Applied Science and Technology
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    • v.37 no.2
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    • pp.260-267
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    • 2020
  • In this study, supercapacitor based on the all solid state electrolyte with PVA(polyvinyl alcohol), ionic liquid as a BMIMBF4(1-buthyl-3-methylimidazolium tetrafluoroborate) and activated carbon/Ni-MOF composite was fabricated and characterized its electrochemical properties with function of MOF. In order to analysis and comparison that electrochemical performances [including cyclic voltammetry(CV), electrochemical impedance spectroscopy(EIS) and galvanostatic charge/discharge test] of prepared supercapacitor based on activated carbon/Ni-MOF composite and all solid state electrolyte. As a result, specific capacitance of the supercapacitor without Ni-MOF was 380 F/g which value decreased to 340 F/g after adding Ni-MOF to activated carbon as a electrode material. This result exhibited that decreased electrochemical property of the supercapacitor effected on physical hinderance in the electrode. In further, it needs to optimization of the Ni-MOF amount (wt%) in the electrode composite to maximize its electrochemical performances.