• Macromolecular Research
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• v.13 no.5
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• pp.427-434
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• 2005

To improve the performance and reduce raw material costs, blocked isocyanates were prepared with mixture of blocking agents in many industries. Three blocked isocyanates (adducts) namely $\varepsilon$-caprolactam/benzotriazole-blocked 4,4'-diphenylmethane diisocyanate (MDI), toluene-2,4-diisocyanate (TDI) and 4,4'-dicyclohexyl-methane diisocyanate ($H_{12}$MDI) were synthesized. Six reference adducts were also prepared by blocking MDI, TDI, and $H_{12}$MDI with $\varepsilon$-caprolactam ($\varepsilon$-CL) or benzotriazole. The reactions were carried out in acetone medium and dibutyltin dilaurate (DBTDL) was used as a catalyst. The progress of the blocking reaction was monitored by IR spectroscopy. De-blocking temperatures (dissociation temperatures) of these adducts were studied using DSC and TGA and the results were correlated. As expected, the thermal analysis data showed that de-blocking temperature of blocked aromatic isocyanates was lower than that of the blocked aliphatic isocyanates. The low de-blocking temperature of blocked aromatic isocyanate could be due to electron withdrawing benzene ring present in the blocked isocyanates. It was also found that benzotriazole-blocked adducts de-blocked at higher temperature compared with $\varepsilon$-CL-blocked adducts.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.07a
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• pp.215-219
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• 2004

This paper is investigated about the effect of carrier gas and humidity for generating hydrogen gas. In the experimental result of generating hydrogen gas by non-thermal plasma reactor, the rate of generating hydrogen gas is different with what kind of carrier gas is. We used two types of carrier gas, such as $N_2$ and He. $N_2$ as carrier gas is more efficient to generate hydrogen gas than He because $N_2$ is reacted with $O_2$, which is made from water dissociation. In comparison with no humidity and humidity 45[%], the generation of hydrogen gas is decreased with increasing the humidity. That is the result that the energy for water dissociation is reduced on water surface because a part of plasma energy is absorbed at the small particle produced from humidifier.

• Mass Spectrometry Letters
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• v.15 no.1
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• pp.54-61
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• 2024

An improved voltage modulation method (VMM) was used to control the heat release and adsorption properties of the adsorbent. In this work, the voltage and flux modulation methods were considered under unified experimental conditions of dissociative surface ionization (SI) of polyatomic organic molecules, the criteria were found when under VMM conditions the current relaxation of SI carries information about the kinetic properties of thermal desorption of ionizable dissociation particles arriving on the surface of polyatomic molecules. Conditions were found under which the relaxation of the ionic current in the flux modulation method is determined by the kinetics of the heterogeneous dissociation reaction of the original polyatomic molecules. The values of the thermal desorption rate constant K⁺ and the activation energy E⁺ obtained with VMM for desorption of (CH₃)₂NCH⁺₂ ions with m/z 58 by adsorption of imipramine and amitriptyline molecules agree well with each other and with the results for the desorption of the same ions by adsorption of other molecules. This confirms one of the basic conditions for the equilibrium process SI - the a degree (β coefficient) of the same particles SI on the same emitter surface is the same and does not depend on the way these particles are formed on the emitter surface.

• Proceedings of the KIEE Conference
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• 2011.07a
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• pp.1584-1585
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• 2011

분자의 전리(ionization)작용과 이온의 해리(dissociation)작용에 의한 유전체 내 방전해석을 위해서 전자, 양이온, 음이온의 생성과 소멸, 전자부착, 재결합 과정을 포함한 전하연속방정식, 전계에 의한 푸아송 방정식, 유전체 온도에 관한 열확산 방정식을 결합하여 해석하였다. 전계 방출 조건과 열전자 방출 조건이 경계조건으로 부여되었고 에너지 최소화 정류조건을 따르는 유한요소법(finite element method)을 이용하여 해석하였다. 비교적 작은 값을 가지는 확산성을 무시하고 대류성에 역점을 두어 발생하는 수치적 불안정은 인공확산항(artificial diffusion technique)을 도입하여 안정화하였다. 본 논문에서는 IEC standard 60897의 표준규격에 따른 2차원 축대칭 침-구 전극에 적용하여 제안된 다중물리해석기법의 타당성을 입증하였다.

• Journal of the Korean Institute of Gas
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• v.19 no.3
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• pp.54-59
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• 2015

The gas hydrate of 10 trillion tons are buried under continental slope in the world(permafrost : 2%, marine continental slope: 98%), but technology for the the commercial gas recovery has not developed yet. There are normally four representative recovery methods: depressurization method, thermal stimulation method, inhibition injection method, and displacement method. This study focuses on change of dissociation time and gas production according to gas hydrate saturation rate and depressurization rate. It was found that the correlation between depressrization rate and dissociation time was like as $Y=0.0004X^2-0.499X+176.86$. It was also found that the bigger depressurization rate is, the better production is(methane gas is produced over 46.2% at depressurization rate 50% compared with 40%). However, on the contrary to this, it is presumed that gas production is decreased at 60% due to gas hydrate reformation.

• Journal of the Korean Society of Mineral and Energy Resources Engineers
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• v.55 no.6
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• pp.670-687
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• 2018

This paper reviews the structures, physical and chemical properties, origins and global distribution, amount of energy resources, production technologies, and environmental impacts of gas hydrates to understand the gas hydrates as future energy sources. Hydrate structures should be studied to clarify the fundamentals of natural gas hydrates, hydrate distributions, and amount of energy sources in hydrates. Phase equilibria, dissociation enthalpy, thermal conductivity, specific heat, thermal diffusivity, and fluid permeability of gas hydrate systems are important parameters for the the efficient recovery of natural gas from hydrate reservoirs. Depressurization, thermal stimulation, inhibitor injection, and chemical exchange methods can be considered as future technologies to recover the energy sources from natural gas hydrates, but so far depressurization is the only method to have been applied in test productions of both onshore and offshore hydrates. Finally, we discuss the hypotheses of environmental impacts of gas hydrates and their contribution to global warming due to hydrate dissociation.

• Journal of the Korean Society of Safety
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• v.16 no.2
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• pp.75-79
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• 2001

For handling and storage of reactive chemicals, the hazard evaluations have been extremely important. In the chemical industry, the most concerns are focused on the thermal harzards such as runaway reactions and thermal decompositions, which are mostly governed by thermodynamics and reaction kinetics or these reactive chemical in the system. This study no investigated the thermal decomposition characteristics of nitrophenylhydrazine isomers by using differential scanning calorimeter(DSC) and accelerating rate calorimeter(ARC). Experimental results showed that exothermic onset-temperatures in nitrophenylhydrazine(NPH) isomers were about 160-$210^{\circ}C$ by DSC and 100-$150^{\circ}C$ by ARC. The decomposition temperature acquired by ARC was about 50-$60^{\circ}C$ lower than that by DSC. Reaction heats were about 40-100cal/g by DSC and 330-750ca1/g by ARC. While ortho isomer of NPH show two distinct exothermic peaks, para isomer shows a single peak in DSC curves. The first exothermic peak for 2-NPH is mainly due to intramolecular dehydration forming 1-hydroxybenzotriazole(HOBT) and the second exothermic peak is mainly due to the decomposition of HOBT formed in the first step of decomposition. The exothermin peak in the DSC curve for 4-NPH is mainly due to dissociation of hydrazino and nitro groups.

• Macromolecular Research
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• v.16 no.6
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• pp.561-566
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• 2008

NR composites with different curing systems were aged thermally at 60, 70, 80, and $90^{\circ}C$ for 2-185 days in a convection oven, and the changes in the crosslink density were investigated as a function of the accelerated thermal aging. The overall crosslink densities increased with increasing aging time irrespective of the aging temperatures and curing systems. The changes in crosslink density were enhanced by increasing the aging temperature. The degree of the increased crosslink density was in the following order: "the conventional cure system > the semi-EV system > the EV system". For short term thermal aging, the change in crosslink density with the aging time was complicated, particularly for low temperature aging. The activation energies of the change in crosslink density with thermal aging using the conventional and semi-EV cure systems increased and then remained relatively constant with increasing aging time, whereas that of the specimen with an EV cure system tended to increase linearly. The experimental results were explained by the dissociation of the existing polysulfidic linkages and the formation of new cross links through the crosslinking-related chemicals remaining in the sample.

• Bulletin of the Korean Chemical Society
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• v.33 no.2
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• pp.564-570
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• 2012

s-Tetrazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores the design of s-tetrazine derivatives in which different $-NO_2$, $-NH_2$ and $-N_3$ substituted azoles are attached to the tetrazine ring via C-N linkage. The density functional theory (DFT) is used to predict the geometries, heats of formation (HOFs) and other energetic properties. The predicted results show that azide group plays a very important role in increasing HOF values of the s-tetrazine derivatives. The densities for designed molecules were predicted by using the crystal packing calculations. The introduction of $-NO_2$ group improves the density as compared to $-N_3$, and $-NH_2$ groups and hence the detonation performance. Bond dissociation energy analysis and insensitivity correlations revealed that amino derivatives are better candidates considering insensitivity and stability.

• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1043-1049
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• 2014

Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluated by using the Kamlet-Jacobs equations. The bond dissociation energies (BDEs) for the thermolysis initiation bond were also analyzed to investigate the thermal stability. The results show that the compounds have high positive HOF values (B, 1064.68 $kJ{\cdot}mol^{-1}$; C, 724.02 $kJ{\cdot}mol^{-1}$), high detonation properties (${\rho}$, D and P values of 2.04 $g{\cdot}cm^{-3}$ and 2.21 $g{\cdot}cm^{-3}$, 9.98 $km{\cdot}s^{-1}$ and 10.99 $km{\cdot}s^{-1}$, 46.44 GPa and 59.91 Gpa, respectively) and meet the basic stability requirement. Additionally, feasible synthetic routes of the these high energy density compounds (HEDCs) were also proposed via retrosynthetic analysis.