• Title/Summary/Keyword: molecular engineering

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Synthesis and Characterizations of Mn1+XCo2-XO4 Solid Solution Catalysts for Highly Efficient Li/Air Secondary Battery (고효율의 리튬/공기 이차전지 공기전극용 Mn1+XCo2-XO4 고용체 촉매 합성 및 분석)

  • Park, Inyeong;Jang, Jaeyong;Lim, Dongwook;Kim, Taewoo;Shim, Sang Eun;Park, Seok Hoon;Baeck, Sung-Hyeon
    • Journal of the Korean Electrochemical Society
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    • v.18 no.4
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    • pp.137-142
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    • 2015
  • $Mn_{1+X}Co_{2-X}O_4$ solid solutions with various Mn/Co ratios were synthesized by a combustion method, and used as cathode catalysts for lithium/air secondary battery. Their electrochemical and physicochemical properties were investigated. The morphology was examined by transmission electron microscopy (TEM), and the crystallinity was confirmed by X-ray diffraction (XRD) analyses. For the measurement of electrochemical properties, charge and discharge measurements were carried out at a constant current density of $0.2mA/cm^2$, monitoring the voltage change. Electrochemical impedance spectroscopy (EIS) analyses were also employed to examine the change in charge transfer resistance during charge-discharge process. $Mn_{1+X}Co_{2-X}O_4$ solid solutions showed enhanced cycleability as a cathode of Li/air secondary battery, and the performance was found to be strongly dependent on Mn/Co ratio. Among synthesized catalysts, $Mn_{1.5}Co_{1.5}O_4$ exhibited the best performance and cycleability, due to high charge transfer rate.

Optimized TOF-PET detector using scintillation crystal array for brain imaging

  • Leem, Hyuntae;Choi, Yong;Jung, Jiwoong;Park, Kuntai;Kim, Yeonkyeong;Jung, Jin Ho
    • Nuclear Engineering and Technology
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    • v.54 no.7
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    • pp.2592-2598
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    • 2022
  • Research groups in the field of PET instrumentation are studying time-of-flight(TOF) technology to improve the signal-to-noise ratio of PET images. Scintillation light transport and collection plays an important role in improving the coincidence resolving time(CRT) of PET detector based on a pixelated crystal array. Four crystal arrays were designed by the different optical reflection configuration such as external reflectors and surface treatment on the CRT and compared with the light output, energy resolution and CRT. The design proposed in the study was composed of 8 × 8 LYSO crystal array consisted of 3 × 3 × 15 mm3 pixels. The entrance side was roughened while the other five surfaces were polished. Four sides of all crystal pixels were wrapped with ESR-film, and the entrance surface was covered by Teflon-tape. The design provided an excellent timing resolution of 210 ps and improved the CRT by 16% compared to the conventional method using a polishing treatment and ESR-film. This study provided a method for improving the light output and CRT of a pixelated scintillation crystal-based brain TOF PET detector. The proposed configuration might be an attractive detector design for TOF brain PET requiring fast timing performance with high cost-effectiveness.

Study on the Properties of Molecular Sieve Made from Carbonized Material with Modifiers (변형제를 이용한 탄화 시료의 분자체 특성 효과에 관한 연구)

  • Kim, Kweon-Ill;Kim, Tae-Hwan;Park, Jong-Gi;Cho, Sung-Chul;Jin, Myeng-Jong
    • Applied Chemistry for Engineering
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    • v.7 no.2
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    • pp.334-340
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    • 1996
  • Carbon adsorbents, having the properties of molecular sieve, were prepared based on coat materials. A couple of modifiers were used to prepare carbon molecular sieve. The effects of modifier concentrations on the characteristics of carbon molecular sieve were investigated. In order to verify the characteristics of carbon molecular sieve, the adsorption rates of oxygen and nitrogen gases on the carbon molecular sieve were measured using Cahn microbalance(model # : D-200). The experimental data were fitted to an adsorption rate equation and gas diffusivities were calculated. The effects of modifier molecular weight and concentration on the characteristics of carbon molecular sieve were shown.

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Molecular Modeling of Bisphenol-A Polycarbonate and Tetramethyl Bisphenol-A Polycarbonate

  • Kim, Sangil;Juwhan Liu
    • Macromolecular Research
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    • v.9 no.3
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    • pp.129-142
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    • 2001
  • To efficiently demonstrate the molecular motion, physical properties, and mechanical properties of polycarbonates, we studied the differences between bisphenol-A polycarbonate(BPA-PC) and tetramethyl bisphenol-A-polycarbonate(TMBPA-PC) using molecular modeling techniques. To investigate the conformations of BPA-PC and TMBPA-PC and the effect of the conformation on mechanical properties, we performed conformational energy calculation, molecular dynamics calculation, and stress-strain curves based on molecular mechanics method. From the result obtained from conformational energy calculations of each segment, the molecular motions of the carbonate and the phenylene group in BPA-PC were seen to be more vigorous and have lower restriction to mobility than those in TMBPA-PC, respectively. In addition, from the results of radial distribution function, velocity autocorrelation function, and power spectrum, BPA-PC appeared to have higher diffusion constant than TMBPA-PC and is easier to have various conformations because of the less severe restrictions in molecular motion. The result of stress-strain calculation for TMBPA-PC seemed to be in accordance with the experimental value of strain-to-failure ∼4%. From these results of conformational energy calculations of segments, molecular dynamics, and mechanical properties, it can be concluded that TMBPA-PC has higher modulus and brittleness than BPA-PC because the former has no efficient relaxation mode against the external deformations.

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Molecular weight of chitosan affect characteristics of chitosan films (분자량에 따른 키토산 필름의 특성)

  • Rhim, Jong-Whan;Ham, Kyung-Sik;Park, Sun-Young
    • KOREAN JOURNAL OF PACKAGING SCIENCE & TECHNOLOGY
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    • v.6 no.1
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    • pp.24-30
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    • 2000
  • Chitosan films were prepared using four types of chitosans with different molecular weight and the effect of molecular weight of chitosan on selected film properties such as color, water vapor permeability (WVP), water solubility (WS), tensile strength (TS), and elongation at break (E) was investigated. Generally, the total color difference (${\Delta}E$) and WS of the films decreased, while TS and E of the films increased as molecular weight of chitosan increased. WVP of the films did not show any significant relationship with molecular weight of chitosan.

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Full-atomistic simulations of poly(ϵ-caprolactone) diol models with CVFF and CGenFF

  • Chang, Yin;Chang, Shu-Wei
    • Multiscale and Multiphysics Mechanics
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    • v.1 no.4
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    • pp.327-340
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    • 2016
  • Poly(${\epsilon}$-caprolactone) (PCL) diol, with good biodegradation and biocompatibility, is one of the widely used soft segments (SSs) in composing bio-polyester-urethanes (Bio-PUs), which show great potential in both biomedical and tissue engineering applications. Properties of Bio-PUs are tunable by combining SS monomers with different molecular weights, structures, modifications, and ratio of components. Although numbers of research have reported many Bio-PUs properties, few studies have been done at the molecular scale. In this study, we use molecular dynamic (MD) simulation to construct atomistic models for two commonly used PCL diol SSs with different molecular weights 1247.58 Da and 1932.42 Da. We compare the simulation results by using two widely used classical force fields for organic molecules: Consistent Valence Force Field (CVFF) and CHARMM General Force Field (CGenFF), and discuss the validity and accuracy. Melt density, volume, polymer conformations, transition temperature, and mechanical properties of PCL diols are calculated and compared with experiments. Our results show that both force fields provide accurate predictions on the properties of PCL diol system at the molecular scale and could help the design of future Bio-PUs.

The Rheological Behaviours for Ink Vehicle According to Molecular Weight of Rosin Modified Phenolic Resin (변성 페놀 수지의 분자량 변화에 따른 잉크 비히클의 물성 변화에 관한 연구)

  • Kim, Tae-Hwan;Kim, Sung-Bin;Lee, Kyu-Il
    • Journal of the Korean Graphic Arts Communication Society
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    • v.23 no.2
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    • pp.1-14
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    • 2005
  • Generally, printing inks are composed of pigment, vehicle and additive. Among others, the vehicle transfers the pigment to substrate and then binds it on the surface. So, rheological properties of the vehicle are an important factor which has influence on printability. Thus, in this study, rheology of the vehicle was investigated by using rotational rheometer according to molecular weight of resin. Also, emlusion rheology of water in oil type and its microstructure were examined with increasing the shear rate. Consequently, the following results were obtained: (1) By viscometric flow test, zero shear viscosity and shear thinning index of vehicle increased with increasing the molecular weight of resin. (2) By relaxation and creep test, relaxation time and retardation time of vehicle increased with increasing the molecular weight of resin. (3) By frequency sweep test, crossover point of vehicle increased with increasing the molecular weight of resin. (4) G' and G" of emlusions increased with increasing the molecular weight by amplitude sweep test. (5) The shape of water drop in emlusions was changed to the capillary tube.

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Chemical Lithography by Surface-Induced Photoreaction of Nitro Compounds

  • Han, Sang-Woo;Lee, In-Hyung;Kim, Kwan
    • ETRI Journal
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    • v.26 no.1
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    • pp.38-44
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    • 2004
  • Searching for systems of self-assembled monolayers (SAMs) that can be used as templates for chemical lithography, we found that nitro groups on aromatic SAMs are selectively converted on Ag to amino groups by irradiation with a visible laser. 4-nitrobenzenethiol on Ag was thus converted to 4-aminobenzenethiol by irradiating it with an $Ar^+$ laser. This was evident from surface-enhanced Raman scattering (SERS) as well as from a coupling reaction forming amide bonds. The surface-induced photoreaction allowed us to prepare patterned binary monolayers on Ag that showed different chemical reactivities. Using the binary monolayers as a lithographic template, we induced site-specific chemical reactions, such as the selective growth of biominerals on either the nitro- or amine-terminated regions by adjusting the crystal-growth conditions. We also demonstrated that patterned, amine-terminated monolayers can be fabricated even on gold by using silver nanoparticles as photoreducing catalysts.

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