• Title/Summary/Keyword: Bonding structure

Search Result 975, Processing Time 0.028 seconds

Morecular Orbital Caculations for the Reactions of 2,5-dimethyl Pyrrole with Phenylsulfonyl Chloride

  • 서미경;김진범;성시열;심영기
    • Bulletin of the Korean Chemical Society
    • /
    • v.20 no.8
    • /
    • pp.948-952
    • /
    • 1999
  • Electrophilic substitutions on β-position of 2,5-dimethyl pyrrole have been investigated theoretically. The electron donating methyl groups enrich electron densities on C-3, C-4 positions and π* interactions with methyl groups substituted on C-2 and C-5 positions pushed up the HOMO level of the pyrroles consequently induce rapid substitutions on C-3, C-4 sites. Substitution of phenylsulfonyl group on nitrogen stabilized LUMO levels through weak π bonding interactions. Unexpected deoxidation reaction underwent on the sulfonyl group substituted at C-3 position. The structures were solved by X-ray crystallography. Meanwhile, gas phase HF/6-31G* and density functional method (B3LYP/6-31G*) calculations gave favorable energies for 1-phenylsulfinyl pyrrole (6) over 3-phenylsulfinyl pyrrole (5) by 3.6-4.7 kcal/mol which is contrary to the experimental result. However the methods involve the effects of molecular polarizability and solvent, molecular dynamics (MD) and ab-initio self consistent reaction field (SCRF) calculations showed same trend as experiments. According to MD calculations, compound 5 is more stable than compound 6 by 4.15 kcal/mol and the SCRF, HF/6-31G* calculations gave more stable energy value for structure 5 than 6 by 0.03 kcal/mol.

Numerical study on the rotation capacity of CFRP strengthened cold formed steel beams

  • Serror, Mohammed H.;Soliman, Essam G.;Hassan, Ahmed F.
    • Steel and Composite Structures
    • /
    • v.23 no.4
    • /
    • pp.385-397
    • /
    • 2017
  • Currently, CFRP (Carbon Fiber Reinforced Polymer) plate bonding is used quite extensively as a strengthening method. In this technique, a composite CFRP plate or sheet of relatively small thickness is bonded with an adhesion material to steel or concrete structure in order to improve its structural behavior and strength. The sheets or plates do not require much space and give a composite action between the adherents. In this study, the rotation capacity of CFRP-strengthened cold-formed steel (CFS) beams has been evaluated through numerical investigation. Studies on different structural levels have been performed. At the beam level, C-section has been adopted with different values of profile thickness, web height, and flange width. At the connection level, a web bolted moment resistant type of connection using through plate has been adopted. In web-bolted connections without CFRP strengthening, premature web buckling results in early loss of strength. Hence, CFRP sheets and plates with different mechanical properties and geometric configurations have been examined to delay web and flange buckling and to produce relatively high moment strength and rotation capacity. The numerical results reveal that CFRP strengthening may increase strength, initial stiffness, and rotation capacity when compared with the case without strengthening.

Physical Properties of Non-sintered Cement Mortar with Heat Treatment after Steam Curing (비소성 시멘트 모르타르의 증기양생 후 열처리에 따른 물리적 특성)

  • Na, Hyeong-Won;Hyung, Won-Gil
    • Journal of the Korea Institute of Building Construction
    • /
    • v.21 no.2
    • /
    • pp.97-104
    • /
    • 2021
  • This study aims to develop non-sintered cement that can replace the Portland cement by utilizing industrial by-products. As a suggestion, the physical properties of non-sintered cement mortar depending on the curing method were investigated with ground granulated blast furnace slag, class C fly ash, and class F fly ash. As a result of the study, it was found that the strength performance and absorption rate were improved through the heat treatment process after steam curing. It was confirmed through crystal phase analysis that the hydration was accelerated after heat treatment, and the bonding material formed a dense internal structure.

Fabrication of Porous Electrodes for Zinc-Ion Supercapacitors with Improved Energy Storage Performance (아연-이온 전기화학 커패시터의 에너지 저장 성능향상을 위한 다공성 전극 제조)

  • An, Geon-Hyoung
    • Korean Journal of Materials Research
    • /
    • v.29 no.8
    • /
    • pp.505-510
    • /
    • 2019
  • Zn-ion supercapacitors (ZICs) show high energy densities with long cycling life for use in electronic devices. Porous Zn electrodes as anodes for ZICs are fabricated by chemical etching process using optimized conditions. The structures, morphologies, chemical bonding states, porous structure, and electrochemical behavior are examined. The optimized porous Zn electrode shows a root mean square of roughness of 173 nm and high surface area of $153{\mu}m^2$. As a result, ZIC using the optimized porous Zn electrode presents excellent electrochemical performance with high specific capacitance of $399F\;g^{-1}$ at current density of $0.5A\;g^{-1}$, high-rate performance ($79F\;g^{-1}$ at a current density of $10.0A\;g^{-1}$), and outstanding cycling stability (99 % after 1,500 cycles). The development of energy storage performance using synergistic effects of high roughness and high surface area is due to increased electroactive sites by surface functionalization of Zn electrode. Thus, our strategy will lead to a rational design and contribute to next-generation supercapacitors in the near future.

Application of Electron Energy Loss Spectroscopy - Spectrum Imaging (EELS-SI) for Microbe-mineral Interaction (생지구화학적 광물변이작용 연구에서 전자에너지 손실 분광 분석 - 스펙트럼 영상법의 활용)

  • Yang, Kiho;Park, Hanbeom;Kim, Jinwook
    • Journal of the Mineralogical Society of Korea
    • /
    • v.32 no.1
    • /
    • pp.63-69
    • /
    • 2019
  • The oxidation states of structural Fe in minerals reflect the paleo-depositional redox conditions for the biologically or abiotically induced mineral formation. Particularly, nano-scale analysis using high-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS) is necessary to identify evidence for the microbial role in the biomineralization. HRTEM-EELS analysis of oxidation states of structural Fe and carbon bonding structure differentiate biological factors in mineralization by mapping the distribution of Fe(II)/Fe(III) and source of organic C. HRTEM-EELS technique provides geomicrobiologists with the direct nano-scale evidence of microbe-mineral interaction.

Comparative study of the resistance of bonded, riveted and hybrid assemblies; Experimental and numerical analyses

  • Ezzine, M.C.;Madani, K.;Tarfaoui, M.;Touzain, S.;Mallarino, S.
    • Structural Engineering and Mechanics
    • /
    • v.70 no.4
    • /
    • pp.467-477
    • /
    • 2019
  • The objective of this work is to analyze by traction tests, the mechanical behavior of an assembly of type metal / metal by various assembly processes; bonding, riveting and hybrid, on the one hand to show the advantage of a hybrid assembly with respect to the other processes, and on the other hand, to analyze by the finite element method the distribution of the stresses in the various components of the structure and to demonstrate the effectiveness of the use of a hybrid assembly with respect to other processes. The number of rivets has been considered. The results show clearly that the value of the different stresses is reduced in the case of a hybrid junction and that the number of rivets in an assembly can be reduced by using a hybrid joint.

Influence of Ammonia Solvation on the Structural Stability of Ethylene Cluster Ions

  • Jung Kwang Woo;Choi Sung-Seen;Jung Kwang Woo;Hang Du-Jeon
    • Bulletin of the Korean Chemical Society
    • /
    • v.13 no.3
    • /
    • pp.306-311
    • /
    • 1992
  • The stable structures of pure ethylene and mixed ethylene-ammonia cluster ions are studied using an electron impact ionization time-of-flight mass spectrometer. Investigations on the relative cluster ion distributions of $(C_2H_4)_n(NH_3)_m^+$ under various experimental conditions suggest that $(C_2H_4)_2(NH_3)_3^+$ and $(C_2H_4)_3(NH_3)_2^+$ ions have the enhanced structural stabilities, which give insight into the feasible structure of solvated ions. For the stable configurations of these ionic species, we report an experimental evidence that both $(C_2H4)_2^+(C_2H_4)_3^+$ clusters as the central cations provide three and two hydrogen-bonding sites, respectively, for the surrounding $NH_3$ molecules. This interpretation is based on the structural stability for ethylene clusters and the intracluster ion-molecular rearrangement of the complex ion under the presence of ammonia solvent molecules.

Spectroscopic Analysis of the Remote-plasma-polymerized Methyl Methacrylate Film (원격 플라즈마 중합된 메틸메타크릴레이트 필름의 분광학적 분석)

  • Seomoon, Kyu
    • Applied Chemistry for Engineering
    • /
    • v.32 no.1
    • /
    • pp.49-54
    • /
    • 2021
  • Plasma-polymerized methyl methacrylate (MMA) thin films were synthesized by remote plasma, and effects of plasma power, reaction pressure and direct-indirect plasma on the growth rate and chemical bonding were investigated with alpha-step, FT-IR, XPS and Langmüir probe method. As the plasma power and pressure increased, the tendency of growth rate showed maximum value at a certain range. FT-IR and XPS analyses revealed that composition ratio of C/O and hydrocarbon (C-C) % in the deposited films increased with plasma power, but ester (COO) C % decreased with it. Direct plasma method was effective for fast growth rate, but indirect plasma method was favorable for maintaining the chemical structure of MMA.

A Study on Mechanical Characteristics Analysamsarais of PA/GF Composite Materials for Cowl Cross Beam (카울크로스빔용 PA/GF복합재료의 기계적 특성 분석에 관한 연구)

  • Hwan-kuk Kim;Jong-vin Park;Ji-hoon Lee;Heon-kyu Jeong
    • Textile Coloration and Finishing
    • /
    • v.35 no.1
    • /
    • pp.29-41
    • /
    • 2023
  • This study is about a hybrid lightweight cowl crossbeam structure with high rigidity and ability to absorb collision energy to support the cockpit module, which is an automobile interior part, and to absorb energy during a collision. It is a manufacturing process in which composite material bracket parts are inserted and injected into existing steel bars. When considering the mounting condition of a vehicle, the optimization of the fastening condition of the two parts and the mechanical properties of the composite material is acting as an important factor. Therefore, this study is about a composite material having a volume content of Polyamide(PA) and Glass Fiber used as a composite material for a composite material-metal hybrid cowl crossbeam. As a result of analyzing the physical properties of the PA/GF composite material, experimental data were obtained that can further enhance tensile strength and flexural strength by using PA66 rather than PA6 used as a base material for the composite material. And based on this, it contributed to securing the advantage of lightening by using high-stiffness composite material by improving the high disadvantage of the weight of the cowl crossbeam material, which was made only of existing metal materials.

Suppression of Shrinkage Mismatch in Hetero-Laminates Between Different Functional LTCC Materials

  • Seung Kyu Jeon;Zeehoon Park;Hyo-Soon Shin;Dong-Hun Yeo;Sahn Nahm
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
    • /
    • v.36 no.2
    • /
    • pp.151-157
    • /
    • 2023
  • Integrating dielectric materials into LTCC is a convenient method to increase the integration density in electronic circuits. To enable co-firing of the high-k and low-k dielectric LTCC materials in a multi-material hetero-laminate, the shrinkage characteristics of both materials should be similar. Moreover, thermal expansion mismatch between materials during co-firing should be minimized. The alternating stacking of an LTCC with silica filler and that with calcium-zirconate filler was observed to examine the use of the same glass in different LTCCs to minimize the difference in shrinkage and thermal expansion coefficient. For the LTCC of silica filler with a low dielectric constant and that of calcium zirconate filler with a high dielectric constant, the amount of shrinkage was examined through a thermomechanical analysis, and the predicted appropriate fraction of each filler was applied to green sheets by tape casting. The green sheets of different fillers were alternatingly laminated to the thickness of 500 ㎛. As a result of examining the junction, it was observed through SEM that a complete bonding was achieved by constrained sintering in the structure of 'calcium zirconate 50 vol%-silica 30 vol%-calcium zirconate 50 vol%'.