• Mass Spectrometry Letters
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• v.12 no.4
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• pp.146-151
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• 2021

In this study, the hydrogen/deuterium (HDX) exchange mechanism of active hydrogen, nitrogen, and sulfur-containing polycyclic aromatic hydrocarbon (PAH) dissolved in toluene and deuterated methanol by atmospheric pressure photoionization (APPI) is investigated. The comparison of the data obtained using APPI suggests that aniline and benzene-1,2-dithiol contain two exchanging hydrogens. The APPI HDX that best explains the experimental findings was investigated with the use of quantum mechanical calculations. The HDX mechanism is composed of a two-step reaction: in the first step, analyte radical ion gets deuterated, and in the second step, the hydrogen transfer occurs from deuterated analyte to de-deuterated methanol to complete the exchange reaction. The suggested mechanism provides fundamentals for the HDX technique that is important for structural identification with mass spectrometry. This paper is dedicated to Professor Seung Koo Shin for his outstanding contributions in chemistry and mass spectrometry.

• 한국정보디스플레이학회:학술대회논문집
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• 2009.10a
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• pp.235-238
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• 2009

BaMg$Al_{10}O_{17}$ (BAM) co-doped with $Eu^{2+}$ and $Mn^{2+}$ was synthesized in a solid-state reaction and their luminescence properties were investigated as functions of the concentrations of the sensitizer and activator. BAM:$Eu^{2+}$ had a broad blue emission band at 450 nm and BAM:$Mn^{2+}$ exhibited green emission at 514 nm. The energy transfer from $Eu^{2+}$ to $Mn^{2+}$ was mainly of the resonance-type via an electric dipole-quadrupole interaction. Additionally, the addition of various fluxes such as $AlF_3$ and $BaF_2$ in the synthesis improves the moist and thermal stability. This is particularly important for the phosphor in white light emitting diodes (LEDs).

• Nuclear Engineering and Technology
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• v.44 no.5
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• pp.535-542
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• 2012

A sodium-cooled demonstration fast reactor with the KALIMER-600 as a reference plant is under design by KAERI. The safety grade decay heat removal system (DHRS), which is important to mitigate design basis accidents, was changed in the reactor design. A loss of heat sink and a vessel leak in design basis accidents were simulated using the MARS-LMR system transient analysis code on two plant systems. In the analyses, the DHRS of KALIMER-600 had a weakness due to elevation of the overflow path for the DHRS operation, while it was proved that the DHRS of the demonstration reactor had superior heat transfer characteristics due to the simplified heat transfer mechanism.

• Journal of Mechanical Science and Technology
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• v.19 no.6
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• pp.1378-1389
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• 2005

This work provides the fundamental knowledge of energy transport characteristics during very short-pulse laser heating of semiconductors from a microscopic viewpoint. Based on the self-consistent hydrodynamic equations, in-situ interactions between carriers, optical phonons, and acoustic phonons are simulated to figure out energy transport mechanism during ultrafast pulse laser heating of a silicon substrate through the detailed information on the time and spatial evolutions of each temperature for carriers, longitudinal optical (LO) phonons, acoustic phonons. It is found that nonequilibrium between LO phonons and acoustic phonons should be considered for ultrafast pulse laser heating problem, two-peak structures become apparently present for the subpicosecond pulses because of the Auger heating. A substantial increase in carrier temperature is observed for lasers with a few picosecond pulse duration, whereas the temperature rise of acoustic and phonon temperatures is relatively small with decreasing laser pulse widths. A slight lagging behavior is observed due to the differences in relaxation times and heat capacities between two different phonons. Moreover, the laser fluence has a significant effect on the decaying rate of the Auger recombination.

• Steel and Composite Structures
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• v.21 no.2
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• pp.357-371
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• 2016

Column base connections are critical components in steel structures because they transfer axial forces, shear forces and moments to the foundation. Exposed column bases are quite commonly used in low- to medium-rise buildings. To investigate shear transfer in exposed column base plates, four large scale specimens were subjected to a combination of axial load (compression or tension) and lateral shear deformations. The main parameters examined experimentally include the number of anchor rod, arrangement of anchor rod, type of lateral loading, and axial force ratio. It is observed that the shear resisting mechanism of exposed column base changed as the axial force changed. When the axial force is in compression, the resisting mechanism is rotation type, and the shear force will be resisted by friction force between base plate and mortar layer. The specimens could sustain inelastic deformation with minimal strength deterioration up to column rotation angle of 3%. The moment resistance and energy dissipation will be increased as the number of anchor rods increased. Moreover, moment resistance could be further increased if the anchor rods were arranged in details. When the axial force is in tension, the resisting mechanism is slip type, and the shear force will be resisted by the anchor rods. And the shear resistance was reduced significantly when the axial force was changed from compression to tension. The test results indicated that the current design approach could estimate the moment resistance within reasonable acceptance, but overestimate the shear resistance of exposed column base.

• Journal of Hydrogen and New Energy
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• v.8 no.1
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• pp.31-41
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• 1997

In order to investigate the mechanism of electrochemical hydrogenation reaction on Zr-based Laves phase hydrogen storage alloy electrodes, electrochemical charge/discharge characteristics, potentiostatic/dynamic polarizations and electrocehmical impedance spectroscopy(EIS) of Zr-Ti-Mn-Ni and Zr-Ti-Mn-Ni-M(M=Fe, Co, Al) alloys were examined. Electrochemical discharge capacities of the alloys were quite different with gas charge capacities. Therefore, it was considered that discharge capacities of the alloys depend on electrochemical kinetic factors rather then thermodynamic ones. Discharge efficiencies were increased linearly with exchange current densities. The results of potentiostatic/dynamic polarization measurements showed that electrochemical charge and discharge reaction of Zr-based Laves phase hydrogen storage alloys is controlled by charge transfer process at the electrode surface. The EIS measurements also confirmed this result.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4179-4184
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• 2011

The nucleophilic substitution reactions of bis(2,6-dimethylphenyl) chlorophosphate (5), containing the four ortho-methyl substituents, with X-pyridines are investigated kinetically in MeCN at $65.0^{\circ}C$. The free energy correlations for substituent X variations in the nucleophiles exhibit biphasic concave upwards with a breakpoint at a X = 3-Cl. Unusual positive ${\rho}_X$ (= +5.40) and negative ${\beta}_X$ (= -0.83) values are obtained with the weakly basic pyridines. The pyridinolysis rate of 5 is hundreds times slower compared to that of bis(phenyl) chlorophosphate because of the steric hindrance of the four ortho-methyl substituents in the two phenyl rings. Ion-pair mechanism is proposed and positive ${\rho}_X$ and negative ${\beta}_X$ values are substantiated by an imbalance of the transition state.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4387-4391
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• 2011

The kinetic studies on the pyridinolysis of diisopropyl thiophosphinic chloride have been carried out in acetonitrile at $55.0^{\circ}C$. The free energy correlations for substituent X variations in the X-pyridines are biphasic concave upwards with a break point at X = 3-Ph. A concerted SN2 mechanism is proposed with a change of the attacking direction of the X-pyridine from a frontside attack for the strongly basic pyridines to a backside attack for the weakly basic pyridines. The factors to determine the rates and thio effects on the rates for the pyridinolyses of thiophophinic chloride, chlorothiophosphate, phosphinic chloride, phosphonochloridothioate, and chlorophosphate systems are briefly reviewed on the basis of the magnitude of the positive charge of the reaction center P atom and steric effects of the two ligands.

• Journal of the Korean Chemical Society
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• v.10 no.4
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• pp.166-174
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• 1966

The multistep mechanism of photosensitized curing reaction cinnamoylated photosensitive polymer is proposed from the energy level diagram of cinnamic acid and sensitizer, and from the fact that excess of sensitizer brings the sensitivity to a limiting value etc. Various factors which have effects on the ability of sensitizer are also discussed. The mechanism involves following steps: activation to the first excited singlet states of cinnamoyl group(C) and sensitizer(S) by their absorption of photon, their intersystem crossing to the lowest triplet state, bimolecular internal quenching by formation of excimer of sensitizer, triplet excitation energy transfer and intermolecular addition between cinnamoyl group in ground state and that in triplet state. The rate equation derived from this mechanism is $-\frac{d[C]}{dt} = \frac{K_1[C]}{K_2 + [C]}[\frac{I^c_{abs}}{K_3 + [S]} + \frac{K_4[C]}{(K_5 + [C])(K_6 + [S])}(I^s_{abs} + \frac{K_7I^c_{abs}[S]}{K_8 + [S]})]$ where $I^c_{abs}\;and\;I^s_{abs}$: the rates of absorption of photon by cinnamoyl group and sensitizer $K_n$: Constants. It is proved with the cinnamate of poly(glyceryl phthalate)(PGC) in the absence of sensitizer using the infrared analytical method and successfully applied for the experimental data reported on the effects of the degree of cinnamoyl esterification and the concentration of sensitizer upon the sensitivity.

• Journal of the Semiconductor & Display Technology
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• v.18 no.1
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• pp.105-111
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• 2019

The TADF (Thermally Activated Delayed Fluorescence)-based OLED patents were analyzed and 4410 of patents were selected at the first step. And 975 patents were screened at second step. Finally, 39 key patents were selected. Patent qualitative analysis was performed in these patents to find which of the four property (lifetime, efficiency, color purity, driving voltage) of TADF was improved. Also, the variation of the hosts and dopants in patented TADF material were surveyed and their combination was analyzed. According to the analysis of the variation and the combination, some of TADF compounds were used as an assistant dopant to transfer energy. In addition, it tended to transfer energy by forming exciplex that shows TADF characteristics. These were similar to the mechanism of the introduced hyper fluorescence and could solve the inherent TADF problems. Finally, patent citation network was illustrated to visualize the patent citations and citations relationship of the major applicants in the current TADF-based OLED technology. The leading patent applicant organization was revealed as Idemitsu Kosan, Semiconductor Energy Laboratory, UDC, Princeton University, Merck and Nippon Steel & Sumikin Chemical, which had lots of reference patents 559, 524, 477, 310, 258, and 167, respectively.