• Title/Summary/Keyword: Dissociation energy

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Synthesis and Analytical Application of Chelating Resins Containing Polyamines (폴리아민류를 작용기로 하는 킬레이트수지의 합성 및 분석적 응용)

  • Kim Sun Deuk;Park Jung Eun;Park Myon Yong
    • Journal of the Korean Chemical Society
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    • v.36 no.5
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    • pp.652-660
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    • 1992
  • The polyamine resins were synthesized by reacting amines such as diethylenetriamine(dien), triethylenetetramine(trien), tetraethylenepentamine(tetren), and pentaethylenehexamine(penten). Stepwise dissociation constants of amines, enthalpy and free energy of metal chelate were determined. Formation constants $(log k_1) of metal chelates were in order of Cu(Ⅱ) > Ni(Ⅱ) > Cd(Ⅱ) > Zn(Ⅱ) > Co(Ⅱ) and tendency of stabilities were proportional to nitrogen numbers of ligand such as dien < trien < tetren > penten. Elutional selectivites of metal ions on resin were agreed to formation constants of metal chelates. {\Delta}H and {\Delta}G were calculated by Van't Hoff equation. Stability constants (log k1) of metalic complexes were in order Cu(Ⅱ) > Ni(Ⅱ) > Cd(Ⅱ) > Zn(Ⅱ) > Co(Ⅱ), and tendency of stabilities were {\circledP}_L-Dien < {\circledP}_L-Trien < {\circledP}_L-Tetren < {\circledP}_L-Penten. The elutional selectivities of metal ions were agreed to stability constants of metal chelates.

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DFT Study for Adsorption and Decomposition Mechanism of Trimethylene Oxide on Al(111) Surface

  • Ye, Cai-Chao;Sun, Jie;Zhao, Feng-Qi;Xu, Si-Yu;Ju, Xue-Hai
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2013-2018
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    • 2014
  • The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

Effects of chemistry in Mars entry and Earth re-entry

  • Zuppardi, Gennaro
    • Advances in aircraft and spacecraft science
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    • v.5 no.5
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    • pp.581-594
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    • 2018
  • This paper is the follow-on of a previous paper by the author where it was pointed out that the forthcoming, manned exploration missions to Mars, by means of complex geometry spacecraft, involve the study of phenomena like shock wave-boundary layer interaction and shock wave-shock wave interaction also along the entry path in Mars atmosphere. The present paper focuses the chemical effects both in the shock layer and on the surface of a test body along the Mars orbital entry and compares these effects with those along the Earth orbital re-entry. As well known, the Mars atmosphere is almost made up of Carbon dioxide whose dissociation energy is even lower than that of Oxygen. Therefore, although the Mars entry is less energized than the Earth re-entry, one can expect that the effects of chemistry on aerodynamic quantities, both in the shock layer and on a test body surface, are different from those along the Earth re-entry. The study has been carried out computationally by means of a direct simulation Monte Carlo code, simulating the nose of an aero-space-plane and using, as free stream parameters, those along the Mars entry and Earth re-entry trajectories in the altitude interval 60-90 km. At each altitude, three chemical conditions have been considered: 1) gas non reactive and non-catalytic surface, 2) gas reactive and non-catalytic surface, 3) gas reactive and fully-catalytic surface. The results showed that the number of reactions, both in the flow and on the nose surface, is higher for Earth and, correspondingly, also the effects on the aerodynamic quantities.

Planar measurements of OH and $O_{2}$ number density in premixed $C_{3}$H$_{8}$O$_{2}$ flame using laser induced pre-dissociative fluorescence (레이저 유도 선해리 형광법(LIPE)을 이용한 화염내 OH 및 $O_{2}$ 분자의 2차원 농도 분포 측정)

  • Jin, Seong-Ho;Nam, Gi-Jung;Kim, Hoi-San;Chang, Nae-Kak;Park, Seung-Han;Kim, Ung;Park, Kyoung-Suk;Shim, Kyoung-Hoon;Kim, Gyung-Soo
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.20 no.12
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    • pp.4044-4052
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    • 1996
  • Planar images of OH and $O_{2}$ with tunable KrF excimer laser which has a) 0.5 $cm^{-1}$ / linewidth, b) 0.5 nm tuning range, c) 150 mJ pulse energy, and d) 20 ns pulse width are obtained to determine spatial distributions of OH and $O_{2}$ in premixed $C_{3}$H$_{8}$ /O$_{2}$ flame. The technique is based on planar laser induced pre-dissociative fluorescence(PLIPF) in which collisional quenching is almost avoided because of the fast pre-dissociation. Dispersed LIPF spectra of OH and $O_{2}$ are also measured in a flame in order to confirm the excitation of single vibronic state of OH and $O_{2}$, OH and $O_{2}$ are excited on the P$_{2}$(8) line of the $A^{2}$.SIGMA.$^{+}$(v'= 3)-X$^{2}$.PI.(v'||'||'&'||'||'quot;= 0) band and R(17) line of the Schumann-Runge band B$^{3}$.SIGMA.$_{u}$ $^{[-10]}$ (v'= 0)- X$^{3}$.SIGMA.$_{g}$ $^{[-10]}$ (v'||'||'&'||'||'quot;= 6), respectively. Dispersed OH and $O_{2}$ spectra show an excellent agreement with simulated spectrum and previous works done by other group respectively. It is confirmed that OH widely distributed around flame front area than $O_{2}$.

The Interaction of Gallium Bromide with n-Butyl Bromide in Nitrobenzene and in 1,2,4-Trichlorobenzene (니트로벤젠溶液 및 1,2,4-트리클로로벤젠 溶液內에서의 브로화갈륨과 n-브롬화부틸과의 相互作用)

  • Oh Cheun Kwun;Yang Kil Kim
    • Journal of the Korean Chemical Society
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    • v.15 no.5
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    • pp.228-235
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    • 1971
  • The solubilities of n-butyl bromide in nitrobenzene and in 1,2,4-trichlorobenzene have been measured at $19^{\circ},\;25^{\circ},\;and\;40^{\circ}C$ in the presence and absence of gallium bromide. When gallium bromide does not exist in the system, the solubility of n-butyl bromide in nitrobenzene is greater than in 1,2,4-trichlorobenzene, indicating a stronger interaction of n-butyl bromide with nitrobenzene than with 1,2,4-trichlorobenzene. In the presence of gallium bromide, complex of n-butyl bromide with gallium bromide, 1:1 complex, $n-C_4H_9Br{\cdot}GaBr_3$, is formed in the solution. The instability constant K of the complex was evaluated. $n-C_4H_9Br{\cdot}GaBr_3{\rightleftharpoons}n-C_4H_9Br+\frac{1}{2}Ga_2Br_6$ The changes of enthalpy, free energy and entropy for the dissociation of the complex were also calculated.

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Studies on the Surfactants of the N-Acyl Amino Acid(part 9) -The Effect of Temperature and Electrolytes on the Micellization of Sodium N-Lauroyl-N-Methyl-Taurate- (N-아실 아미노산계 계면활성제에 관한 연구(제9보) -Sodium N-Lauroyl-N-methyl-taurate의 미셀형성에 대한 온도 및 전해질의 영향-)

  • Kim, Jin-Hyun;Kim, Tae-Young;Ju, Myung-Jong;Nam, Ki-Dae
    • Applied Chemistry for Engineering
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    • v.7 no.3
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    • pp.401-409
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    • 1996
  • The effect of temperature on the cmc of sodium N-lauroyl-N-methyl taurate was examined. The cmc values were found to be decreased initially but increased further with the increase of temperature. From the temperature dependence of cmc, various thermodynamic properties were calculated. The effects of various electrolytes on the cmc of sodium N-lauroyl-N-methyl-taurate were also examined. The free energy of hydrophobic bond formation and the degree of dissociation of the micelles were calculated from log cmc vs. log counter ion concentration plots. The ${\Delta}H_m$ values were decreased with increasing the temperature and changed their signs from plus to minus at $40^{\circ}C{\sim}50^{\circ}C$. The ${\Delta}G_m$ values were decreased with the increase of electrolyte concentration and temperature.

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Etch Characteristics of $SiO_2$ by using Pulse-Time Modulation in the Dual-Frequency Capacitive Coupled Plasma

  • Jeon, Min-Hwan;Gang, Se-Gu;Park, Jong-Yun;Yeom, Geun-Yeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.472-472
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    • 2011
  • The capacitive coupled plasma (CCP) has been extensively used in the semiconductor industry because it has not only good uniformity, but also low electron temperature. But CCP source has some problems, such as difficulty in varying the ion bombardment energy separately, low plasma density, and high processing pressure, etc. In this reason, dual frequency CCP has been investigated with a separate substrate biasing to control the plasma parameters and to obtain high etch rate with high etch selectivity. Especially, in this study, we studied on the etching of $SiO_2$ by using the pulse-time modulation in the dual-frequency CCP source composed of 60 MHz/ 2 MHz rf power. By using the combination of high /low rf powers, the differences in the gas dissociation, plasma density, and etch characteristics were investigated. Also, as the size of the semiconductor device is decreased to nano-scale, the etching of contact hole which has nano-scale higher aspect ratio is required. For the nano-scale contact hole etching by using continuous plasma, several etch problems such as bowing, sidewall taper, twist, mask faceting, erosion, distortions etc. occurs. To resolve these problems, etching in low process pressure, more sidewall passivation by using fluorocarbon-based plasma with high carbon ratio, low temperature processing, charge effect breaking, power modulation are needed. Therefore, in this study, to resolve these problems, we used the pulse-time modulated dual-frequency CCP system. Pulse plasma is generated by periodical turning the RF power On and Off state. We measured the etch rate, etch selectivity and etch profile by using a step profilometer and SEM. Also the X-ray photoelectron spectroscopic analysis on the surfaces etched by different duty ratio conditions correlate with the results above.

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The Complex Formation of Gallium Bromide with i-Propyl Bromide in Nitrobenzene (니트로벤젠용액내에서의 브롬화갈륨과 i-브롬화프로필과의 착물형성에 관한 연구)

  • Oh Cheun Kwun;Dong Sup Lee;Young Hoon Lee
    • Journal of the Korean Chemical Society
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    • v.29 no.1
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    • pp.9-14
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    • 1985
  • The solubilities of i-propyl bromide in nitrobenzene have been measured at 10$^{\circ}$, 19$^{\circ}$ and 25$^{\circ}C$ in the presence and absence of gallium bromide. In the presence of gallium bromide, 1 : 1 complex, i-C$_3$H$_7Br{\cdot}GaBr_3$ is formed in the solution. The instability constant K of the complex formation was evaluated from the following equilibrium equation: i-C$_3$H$_7Br{\cdot}GaBr_3$ ${\rightleftharpoons}$ i-C$_3$H$_7$Br + $\frac{1}{2}$$Ga_2Br_6$. The change of enthalpy, free energy and entropy for the dissociation of the complex were also calculated. From these result, it seems that the stabilities of the complex formation, gallium bromide with alkyl bromide, are directly related with those of the carbonium ions of alkyl bromide.

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Sonocatalytic Degradation of Rhodamine B in the Presence of TiO2 Nanoparticles by Loading WO3

  • Meng, Ze-Da;Sarkar, Sourav;Zhu, Lei;Ullah, Kefayat;Ye, Shu;Oh, Won-Chun
    • Korean Journal of Materials Research
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    • v.24 no.1
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    • pp.6-12
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    • 2014
  • In the present work, $WO_3$ and $WO_3-TiO_2$ were prepared by the chemical deposition method. Structural variations, surface state and elemental compositions were investigated for preparation of $WO_3-TiO_2$ sonocatalyst. X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and transmission electron microscopy (TEM) were employed for characterization of these new photocatalysts. A rhodamine B (Rh.B) solution under ultrasonic irradiation was used to determine the catalytic activity. Excellent catalytic degradation of an Rh.B solution was observed using the $WO_3-TiO_2$ composites under ultrasonic irradiation. Sonocatalytic degradation is a novel technology of treating wastewater. During the ultrasonic treatment of aqueous solutions sonoluminescence, cavitaties and "hot spot" occurred, leading to the dissociation of water molecules. In case of a $WO_3$ coupled system, a semiconductor coupled with two components has a beneficial role in improving charge separation and enhancing $TiO_2$ response to ultrasonic radiations. In case of the addition of $WO_3$ as new matter, the excited electrons from the $WO_3$ particles are quickly transferred to $TiO_2$ particle, as the conduction band of $WO_3$ is 0.74 eV which is -0.5 eV more than that of $TiO_2$. This transfer of charge should enhance the oxidation of the adsorbed organic substrate. The result shows that the photocatalytic performance of $TiO_2$ nanoparticles was improved by loading $WO_3$.

Study on CO2 Decomposition using Ar/CO2 Inductively Coupled Plasma (아르곤/이산화탄소 혼합가스의 유도 결합 플라즈마를 이용한 이산화탄소 분해 연구)

  • Kim, Kyung-Hyun;Kim, Kwan-Yong;Lee, Hyo-Chang;Chung, Chin-Wook
    • KEPCO Journal on Electric Power and Energy
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    • v.1 no.1
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    • pp.135-140
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    • 2015
  • Decomposition of carbon dioxide is studied using $Ar/CO_2$ mixture inductively coupled plasmas (ICP). Argon gas was added to generate plasma which has high electron density. To measure decomposition rate of $CO_2$, optical emission actinometry is used. Changing input power, pressure and mixture ratio, the plasma parameters and the spectrum intensity were measured using single Langmuir probe and spectroscope. The source characteristic of Carbon dioxide ICP observed from the obtained plasma parameters. The decomposition rate is evolved depending on the reaction and discharge mode. This result is analyzed with both the measurement of the plasma parameters and the dissociation mechanism of $CO_2$.