• Progress in Medical Physics
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• v.31 no.4
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• pp.135-144
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• 2020

Purpose: Gafchromic films for proton dosimetry are dependent on linear energy transfers (LETs), resulting in dose underestimation for high LETs. Despite efforts to resolve this problem for single-energy beams, there remains a need to do so for multi-energy beams. Here, a bimolecular reaction model was applied to correct the under-response of spread-out Bragg peaks (SOBPs). Methods: For depth-dose measurements, a Gafchromic EBT3 film was positioned in water perpendicular to the ground. The gantry was rotated at 15° to avoid disturbances in the beam path. A set of films was exposed to a uniformly scanned 112-MeV pristine proton beam with six different dose intensities, ranging from 0.373 to 4.865 Gy, at a 2-cm depth. Another set of films was irradiated with SOBPs with maximum energies of 110, 150, and 190 MeV having modulation widths of 5.39, 4.27, and 5.34 cm, respectively. The correction function was obtained using 150.8-MeV SOBP data. The LET of the SOBP was then analytically calculated. Finally, the model was validated for a uniform cubic dose distribution and compared with multilayered ionization chamber data. Results: The dose error in the plateau region was within 4% when normalized with the maximum dose. The discrepancy of the range was <1 mm for all measured energies. The highest errors occurred at 70 MeV owing to the steep gradient with the narrowest Bragg peak. Conclusions: With bimolecular model-based correction, an EBT3 film can be used to accurately verify the depth dose of scanned proton beams and could potentially be used to evaluate the depth-dose distribution for patient plans.

• Journal of the Korean Chemical Society
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• v.6 no.2
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• pp.148-154
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• 1962

The reactions between organic halides$(CCl_4,\;C_6H_5Br,\;C_6H_5Cl,\;C_6H_5I)$ and amines $(C_6H_5NH_2,\;R_2NH,\;R_3N,\;(CH_2)_5NH,\;pyridine)$ were studied under mixed u.v. irradiation. The modes of reactions were examined by means of gas chromatography and product-reactant ratio determination. The reaction of $CCl_4$ with amines give chloroform and hexachloroethanes, and the reaction of aromatic halides with amines gave biphenyl and benzene. In each series of reaction there obtained mainly corresponding amine hydrohalides, but no amination products. The reactivity was in the order of the basicity of amines and of the reactivity of organic hahides, except in the case of cyclic tertiary amine. The result was interpreted as a non-chain photodecomposition process. A competitive proton abstraction reaction path via the formation of a change transfer complex was proposed as the reaction mechanism.

• Bulletin of the Korean Chemical Society
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• v.23 no.9
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• pp.1229-1258
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• 2002

This paper reports the photochemical reduction of benzil 1 to benzoin 2 and the reduction of 2 to hydrobenzoin 4 in deoxygenated solvents in the presence of triethylamine (TEA) and/or TiO2. Without TEA or TiO2, the photolysis of 1 resulted in very low yield of 2. The presence of TEA or TiO2 increased the rate of disappearance of 1 and the yield of 2, which were further increased considerably by the presence of water. The photoreduction of 1 to 2 proceeds through an electron transfer to 1 from TEA or hole-scavenged excited TiO2 followed by protonation. In the reaction medium of 88 : 7 : 2 : 3 CH3CN/CH3OH/H2O/TEA with 2.5 $㎎/m{\ell}$ of TiO2, the yield of 2 was as high as 85 % at 50 % conversion of 1. The photolysis of 2 in homogeneous media resulted in photo-cleavage to benzoyl and hydroxybenzyl radicals, which are mostly converted to benzaldehyde. The reduction product 4 is formed in low yield through the dimerization of hydroxybenzyl radicals. The addition of TEA increased the conversion rate of 2 and the yield of 4 significantly. This was attributed to the scavenging effect of TEA for benzoyl radical to produce N,N-diethylbenzamide and the photoreduction of benzaldehyde in the presence of TEA. The ratio of $(\pm)$ and meso isomers of 4 obtained from the photochemical reaction is about 1.1. This ratio is the same as that from the photochemical reduction of benzaldehyde in the presence of TEA. In the TiO2-sensitized photochemical reduction of 2, meso-4 was obtained in moderate yield. The reduction of 2 to 4 proceeds through two consecutive electron/proton transfer processes on the surface of the photocatalyst without involvement of ${\alpha}-cleavage$. The radical 11 initially formed from 2 by one electron/proton process can also combine with hydroxy methyl radical, which is generated after hole trapping of excited TiO2 by methanol, to produce 1,2-diphenylpropenone after dehydration reaction.

• Fire Science and Engineering
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• v.32 no.6
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• pp.84-90
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• 2018

Chemical accidents occur in various forms, such as explosions, leaks, spills, and fires. In particular, chemical accidents caused by fires seriously affect the surrounding air environment due to soot, causing anxiety to the residents. Therefore, it is important to identify the causative substances quickly and examine the influence of air quality in the surrounding area. In this paper, proton transfer reaction-time of flight mass spectrometry(PTR-ToFMS) was used to identify the causative material in a fire and monitor the air quality in real time. This analyzer is capable of real-time analysis with a rapid response time without sample collection and pretreatment. In addition, it is suitable for quantitative and qualitative analysis of most volatile organic compounds with high hydrogen affinity, to identify the cause of fire and examine the influence of ambient air. In April 2018, when a local fire occurred, methanol, acetone, and methyl ethyl ketone were the main causative agents in PTR-ToFMS.

• Bulletin of the Korean Chemical Society
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• v.12 no.6
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• pp.658-661
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• 1991

The gas-phase nucleophilic substitution reaction of pentafluoroanisole with $OH^-$ and ${NH_2}^-$ nucleophiles have been studied theoretically using the AM1 method. Three reaction channels, $S_N2$, IPSO and $S_NAr$ (scheme 1), are all very exothermic so that all are accessible despite the varying central energy barriers which are much lower than the reactants level. In the IPSO and $S_NAr$ channels, the reactants form directly a stable ,${\sigma}$-anion complex which proceeds to form a proton transfer complex via a transition barrier corresponding to a loose ${\pi}$-type complex with the F-(or ${OCH_3}^-$) leaving group. Due to a greater number of probable reaction sites available for $S_NAr$ compared to the other two processes, the $S_NAr$ channel is favored as experimentally observed.

• Bulletin of the Korean Chemical Society
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• v.25 no.2
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• pp.249-252
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• 2004

Cytochrome P450 (P450)/$O_2$/NADPH engender electron transfer reaction of N-benzyl-N-substituted benzylamines to yield corresponding radical cation 1 that is simultaneously converted into 2 and 3. Subsequently, expulsion of proton and hydroxylation yielding a-hydroxylamines are followed by formation of benzaldehydes and benzylamines.

• Proceedings of the KSME Conference
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• 2007.05b
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• pp.3377-3382
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• 2007

In proton exchange membrane fuel cell, the heat is generated at the catalyst layer as result of exothermic electrochemical reaction. This heat increases temperature of gas diffusion layer and membrane whose conductivity is very sensitive to humidity, function of temperature. So it is very important to analysis heat transfer through fuel cell to maintain temperature at specified range. In this paper numerical simulation was done including reversible, irreversible, ionic resistance, water formation loss to source term of energy equation. Results show that irreversible and water formation loss contributes mainly to energy source term and as current density increases, all of energy source terms become increased and Nusselt number is increased as results of more heat generation. Particularly irreversible loss is found to be predominant among the all energy source and water formation at cathode channel influences the temperature distribution of fuel cell greatly.

• Bulletin of the Korean Chemical Society
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• v.20 no.9
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• pp.1067-1072
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• 1999

Structures of unprotonated [(NH3)n+(n = 1-6)] and protonated [NH4+(NH3)n-1(n = 1-6)] ammonia cluster cations have been optimized with ab initio Hartree-Fock (HF) and second-order MФller-Plesset (MP2)/6-31+G ** levels and the harmonic vibrational frequencies have also been evaluated. In unprotonated cluster cations, NH3+ forms as a central core of the first ammonia solvation shell. In protonated cluster cations, NH4+ forms as a central core. In unprotonated dimer and trimer cations, there are two types of isomers (hydrogen-bonded and head-to-head interactions). In both cluster cations, the hydrogen-bonded isomers are more stable. In the hydrogen-bonded dimer cation, the proton transfer reaction takes place from (NH3-HN+H2) to (NH4+-NH2). But in the other unprotonated cluster cations, the proton transfer does not take place. In unprotonated pentamer and hexamer, a NH3+ core has both interactions in a complex. On the other hand, in unprotonated tetramer a core has only the hydrogen-bonded type combined with neutral ammonia molecules. With increasing cluster cation size, the bond lengths [R(NN)] between two nitrogen atoms and the distances [R(N ...H)] of the hydrogen-bond increase reg-ularly. In the calculated infra-red absorption bands for ammonia cluster cations, the characteristic peaks of the bridged NH vibration of the hydrogen-bonded clusters appear near 2500 cm-1 . With increasing size, the peaks shift from 2306 cm-1 to 2780 cm-1 .

• Transactions of the Korean Society of Mechanical Engineers B
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• v.32 no.5
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• pp.359-366
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• 2008

A two-dimensional thermal model of proton exchange membrane fuel cell with large active area is developed to investigate the performance of fuel cell with large active area over various thermal management conditions. The core sub-models of the two-dimensional thermal model are one-dimensional agglomerate structure electrochemical reaction model, one-dimensional water transport model, and a two-dimensional heat transfer model. Prior to carrying out the simulation, this study is contributed to set up the operating temperature of the fuel cell with large active area which is a maximum temperature inside the fuel cell considering durability of membrane electrolyte. The simulation results show that the operating temperature of the fuel cell and temperature distribution inside the fuel cell can affect significantly the total net power at extreme conditions. Results also show that the parasitic losses of balance of plant component should be precisely controlled to produce the maximum system power with minimum parasitic loss of thermal management system.

• Fire Science and Engineering
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• v.33 no.6
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• pp.80-86
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• 2019

In Korea, a total of 556 chemical accidents occurred from 2012 to 2018 caused by adverse reactions of two or more chemicals, which required significant amounts of time to identify the causative chemicals. Rapid analysis is required for effective incident response and probing. In this study, a quantum transition time-of-flight mass spectrometer was used to identify the causative agents of chemical accidents caused by adverse reactions. The analyzer enabled fast real-time analysis without the need for sample collection and pretreatment. Quantitative and qualitative analysis of most volatile organic compounds with high hydrogen affinity was performed to investigate the cause of the chemical accidents. In fact, in the month of 201◯, methanol and toluene were detected as causative agents of the accident using a quantum transition time mass spectrometer, and were also the cause of the reported odor.