• Title/Summary/Keyword: H-bonding

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Facile synthesis and characteristics of monodispersed ZnGa2O4 microsphere via solvothermal method (용매열합성법을 통한 단분산된 ZnGa2O4 구형 입자의 제조 및 특성)

  • Woo, Moo Hyun;Kang, Bong Kyun;Yoon, Dae Ho
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.26 no.3
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    • pp.109-114
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    • 2016
  • Monodispersed $ZnGa_2O_4$ microspheres were synthesized by a facile two-step process consisting of a solvothermal method and calcination process. The prepared monodispersed $ZnGa_2O_4$ microspheres were aggregated into 3D microstructures by self-assembly with a large number of small $ZnGa_2O_4$ particles generated in nucleation. This nucleation and self-assembly making hierarchical microstructures were depended on the concentration of PEG (polyethylene glycol) due to CAC (critical aggregation concentration) theory. And also we controlled the amount of zinc acetate to make pure $ZnGa_2O_4$ phase. Additionally, to fix the optimized calcination condition, sample was characterized by TG-DTA to prove the thermal property in the calcination process and by FT-IR to identify the changes of functional group bonding between each element of the $ZnGa_2O_4$ precursor and oxide calcined at $900^{\circ}C$ for 1 h.

Semi-Empirical MO Calculations and Infrared Spectroscopy of Hydrogen-Bonding in Alkyl Alcohols (알킬알코올의 수소결합에 대한 적외선분광법 및 반경험적분자궤도함수의 계산)

  • Jong Taik Kim;Doo Seon Park
    • Journal of the Korean Chemical Society
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    • v.31 no.1
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    • pp.3-13
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    • 1987
  • Infrared absorption spectra of alkyl alcohols in the OH stretching region were obtained from varying the concentrations of alcohols in $CCl_4$. The OH stretching bands were broadened and shifted to lower frequencies due to the hydrogen-bond formation. Three bands were obtained from the breakdown of these bands by the simplex method. Each band was assigned to various types of hydrogen-bonded OH groups. The electronic structures and interaction energies of dimeric and trimeric alcohols were calculated by semi-empirical MO(CNDO/2, INDO) methods. These results were in good agreement with those of deconvoluted ir spectra. The EDA(electron donor-acceptor) effect of alkyl group on hydrogen-bond formation was in the decreasing order of butyl > propyl > ethyl > methyl group. On the other hand, the experimental results were in the order : propyl > ethyl > butyl > methyl group. This seemed to be ascribed to the bulkiness of butyl alcohol.

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The Characteristics of Silicon Nitride Films Grown at Low Temperature for Flexible Display (플렉서블 디스플레이의 적용을 위한 저온 실리콘 질화물 박막성장의 특성 연구)

  • Lim, Nomin;Kim, Moonkeun;Kwon, Kwang-Ho;Kim, Jong-Kwan
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.26 no.11
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    • pp.816-820
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    • 2013
  • We investigated the characteristics of the silicon oxy-nitride and nitride films grown by plasma-enhanced chemical vapor deposition (PECVD) at the low temperature with a varying $NH_3/N_2O$ mixing ratio and a fixed $SiH_4$ flow rate. The deposition temperature was held at $150^{\circ}C$ which was the temperature compatible with the plastic substrate. The composition and bonding structure of the nitride films were investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). Nitrogen richness was confirmed with increasing optical band gap and increasing dielectric constant with the higher $NH_3$ fraction. The leakage current density of the nitride films with a high NH3 fraction decreased from $8{\times}10^{-9}$ to $9{\times}10^{-11}(A/cm^2$ at 1.5 MV/cm). This results showed that the films had improved electrical properties and could be acceptable as a gate insulator for thin film transistors by deposited with variable $NH_3/N_2O$ mixing ratio.

Ab Initio Studies on Hydrogen-Bonded Dimers of Fluoromethanes with Ammonia and Water (플루오르화메탄들과 암모니아 및 물과의 수소결합 이량체들에 관한 Ab Initio 연구)

  • Soon-Ki Lee;Seung-Hoon Kim
    • Journal of the Korean Chemical Society
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    • v.37 no.4
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    • pp.408-415
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    • 1993
  • Systematic ab initio SCF calculations have been performed on the hydrogen-bonded dimers of fluoromethanes involving $CH_4,\;CH_3F,\;CH_2F_2\;and\;CHF_3$ with ammonia and water applying basis sets of 9s5p/5s and 9s5p1d/5p1d. Various ground state properties of these stable dimeric complexes have been evaluated. We compared these with corresponding properties of isolated monomers. We report equilibrium geometries, stabilization energies, dipole moments and force constants of intermolecular bonds. The effects arising as a consequence of the non-additive behavior of hydrogen bonding in chain-like oligomers are discussed. Systematic, methodical errors due to the use of the SCF approximation and the basis set dependence of the computed results are pointed out.

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A Kinetic Study on Aminolysis of Benzyl 2-Pyridyl Thionocarbonate and t-Butyl 2-Pyridyl Thionocarbonate: Effects of Polarizability and Steric Hindrance on Reactivity and Reaction Mechanism

  • Kim, Min-Young;Bae, Ae Ri;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2325-2329
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    • 2013
  • Second-order rate constants $k_N$ have been measured for reactions of benzyl 2-pyridyl thionocarbonate (4b) and t-butyl 2-pyridyl thionocarbonate (5b) with a series of cyclic secondary amines in MeCN at $25.0{\pm}0.1^{\circ}C$. The $k_N$ values for the reactions of 4b and 5b have been compared with those reported previously for the corresponding reactions of benzyl 2-pyridyl carbonate (4a) and t-butyl 2-pyridyl carbonate (5a) to investigate the effect of changing the electrophilic center from C=O to C=S on reactivity and reaction mechanism. The thiono compound 4b is more reactive than its oxygen analogue 4a. The Br${\o}$nsted-type plots for the reactions of 4a and 4b are linear with ${\beta}_{nuc}=0.57$ and 0.37, respectively. The reactions of 4a were previously reported to proceed through a concerted mechanism, while those of 4b in this study have been concluded to proceed through a stepwise mechanism with formation of an intermediate being the rate-determining step on the basis of the ${\beta}_{nuc}$ value of 0.37. Enhanced polarizability upon changing the C=O in 4a by C=S has been suggested to be responsible for the reactivity order and the contrasting reaction mechanisms. In contrast, the reactivity of 5a and 5b is similar, but they are much less reactive than 4a and 4b. Furthermore, the reactions of 5a and 5b have been concluded to proceed through the same mechanism (i.e., a concerted mechanism) on the basis of linear Bronsted-type plots with ${\beta}_{nuc}=0.45$ or 0.47. It has been concluded that the strong steric hindrance exerted by the t-Bu in 5a and 5b causes a decrease in their reactivity and forces the reactions to proceed through a concerted mechanism.

Interfacial Adhesion between Screen-Printed Ag and Epoxy Resin-Coated Polyimide (에폭시수지가 도포된 폴리이미드와 스크린 프린팅 Ag 사이의 계면접착력 평가)

  • Park, Sung-Cheol;Kim, Jae-Won;Kim, Ki-Hyun;Park, Se-Ho;Lee, Young-Min;Park, Young-Bae
    • Journal of the Microelectronics and Packaging Society
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    • v.17 no.1
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    • pp.41-46
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    • 2010
  • The interfacial adhesion strengths between screen-printed Ag film and epoxy resin-coated polyimide were evaluated by $180^{\circ}$ peel test method. Measured peel strength value was initially around $164.0{\pm}24.4J/m^2$, while the heat treatment during 24h at $120^{\circ}C$ increase peel strength up to $220.8{\pm}19.2J/m^2$. $85^{\circ}C/85%$ RH temperature/humidity treatment decrease peel strength to $84.1{\pm}50.8J/m^2$, which seems to be attributed to hydrolysis bonding reaction mechanism between metal and adhesive epoxy resin coating layer.

Fabrication of the Microchannel Integrated with the Inner Sensors for Accurate Measuring Fluid Temperature (유체의 정확한 온도 측정을 위하여 내부 센서를 집적한 마이크로채널 제작)

  • Park, Ho-Jun;Im, Geun-Bae;Son, Sang-Yeong;Song, In-Seop;Park, Jeong-Ho
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.51 no.9
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    • pp.449-454
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    • 2002
  • A rectangular straight microchannel, integrated with the resistance temperature detectors(RTDs) for temperature sensing and a micro-heater for generating the Temperature gradient along the channel, was fabricated. Its dimension is 57${\mu}{\textrm}{m}$(H)$\times$200${\mu}{\textrm}{m}$(W)$\times$48,050${\mu}{\textrm}{m}$(L), and RTDs were placed at the inner-channel wall. Si wafer was used as a substrate. For the fabrication of RTDs, 5300$\AA$ thick Pt/Ti layer was sputtered on a Pyrex glass wafer. Finally, the glass wafer was bonded with Si wafer by anodic bonding, so that the RTDs are located inside the microchannel. Temperature coefficient of resistance(TCR) values of the fabricated Pt-RTDs were 2800~2950ppm$^{\circ}C$ and the variation of TCR value In the range of O~10$0^{\circ}C$ was less than 0.3%. Therefore, it was proved that the fabricated Pt-RTDs without annealing were excellent as temperature sensors. The temperature distribution in the microchannel was investigated as a function of mass flow rate and heating power. The temperature increase rate diminished with decreasing the applied power and increasing the mass flow rate. It was confirmed from the comparison with the simulation results that the temperature measured inside the microchannel is more accurate than measuring the temperature measured at the outer wall. The proposed temperature sensing method and microchannel are expected to be useful in microfluidics researches.

Driving Per Nozzle By Various Waveform Depending On Resonance Frequency In Piezoelectric Inkjet Head (잉크젯 헤드의 공진주파수에 따른 구동파형을 이용한 개별노즐 제어)

  • Kim, Y.J.;Park, C.S.;Sim, W.C.;Kang, P.J.;Yoo, Y.S.;Park, J.H.;Joung, J.W.;Oh, Y.S.
    • Proceedings of the KIEE Conference
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    • 2007.07a
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    • pp.1542-1543
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    • 2007
  • This paper presents the effect of driving waveform for piezoelectric bend mode inkjet printhead with optimized mechanical design. Experimental and theoretical studies on the applied driving waveform versus jetting characteristics were performed. The inkjet head has been designed to maximize the droplet velocity, minimize voltage response of the actuator and optimize the firing frequency to eject ink droplet. The head design was carried out by using mechanical simulation. The printhead has been fabricated with Si(100) and SOI wafers by MEMS process and silicon direct bonding method. To investigate how performance of the piezoelectric ceramic actuator influences on droplet diameter and droplet velocity, the method of stroboscopy was used. Using the water based ink of viscosity of 11.8 cps and surface tension of 0.025N/m, it is possible to eject stable droplets through 64 nozzles average velocity of 4.05 m/s with standard deviation of 0.06 m/s and average diameter of $29.2\;{\mu}m$ with standard variation of $0.5\;{\mu}m$.

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Manufacture of Specialty Paper with Hemp Bast Fiber Cultivated in Korea (Part 1) - Characteristics of Hemp-Wood Paper by Soda Pulping - (삼섬유를 이용한 특수기능지 개발 (제 1보) - 소다펄프화 삼 섬유의 수초지 특성 -)

  • Lee, Dah-Hee;Lee, Myoung-Ku
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.45 no.6
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    • pp.30-35
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    • 2013
  • To conserve wood resources for papermaking, chemical compositions of the hemp (Cannabis sativa L.) bast fiber cultivated in Korea such as holocellulose, ${\alpha}$-cellulose, lignin, alcohol-benzene extractives, hot and cold water extractives, and ash contents were investigated to manufacture the specialty packaging paper effectively. Significantly very low klason lignin content of 3.3% was accomplished by removing of the outer shell of bark. Laboratory soda pulping method which is very useful for the nonwood fiber was adapted, and it was found that there was no significant difference in both kappa number and H-factor between 25% and 30% NaOH charge. Hemp pulp cooked with the laboratory digester in 25% NaOH at $170^{\circ}C$ were mixed together with the wood pulp(NBKP:LBKP=1:1) in order to find the optimum mixture ratio which exhibited acceptable paper strength properties such as tensile index, burst index, and tear strength. When 10% of hemp soda pulps was mixed with 90% of wood pulps comprised of SwBKP and HwBKP (1:1), all physical strength increased significantly. The physical strength decreased as the amount of hemp pulp increased because the cell wall of bast fiber is very thick which causes low conformability and low fiber-fiber bonding. These results showed that paper made of hemp-wood pulp can be used for the specialty packaging paper which requires both the characteristic surface properties and the high physical strength of hemp fiber.

Numerical simulation and analytical assessment of STCC columns filled with UHPC and UHPFRC

  • Nguyen, Chau V.;Le, An H.;Thai, Duc-Kien
    • Structural Engineering and Mechanics
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    • v.70 no.1
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    • pp.13-31
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    • 2019
  • A nonlinear finite element model (FEM) using ATENA-3D software to simulate the axially compressive behavior of circular steel tube confined concrete (CSTCC) columns infilled with ultra high performance concrete (UHPC) was presented in this paper. Some modifications to the material type "CC3DNonlinCementitious2User" of UHPC without and with the incorporation of steel fibers (UHPFRC) in compression and tension were adopted in FEM. The predictions of utimate strength and axial load versus axial strain curves obtained from FEM were in a good agreement with the test results of eighteen tested columns. Based on the results of FEM, the load distribution on the steel tube and the concrete core was derived for each modeled column. Furthermore, the effect of bonding between the steel tube and the concrete core was clarified by the change of friction coefficient in the material type "CC3DInterface" in FEM. The numerical results revealed that the increase in the friction coefficient leads to a greater contribution from the steel tube, a decrease in the ultimate load and an increase in the magnitude of the loss of load capacity. By comparing the results of FEM with experimental results, the appropriate friction coefficient between the steel tube and the concrete core was defined as 0.3 to 0.6. In addition to the numerical evaluation, eighteen analytical models for confined concrete in the literature were used to predict the peak confined strength to assess their suitability. To cope with CSTCC stub and intermediate columns, the equations for estimating the lateral confining stress and the equations for considering the slenderness in the selected models were proposed. It was found that all selected models except for EC2 (2004) gave a very good prediction. Among them, the model of Bing et al. (2001) was the best predictor.