• Applied Chemistry for Engineering
• /
• v.18 no.2
• /
• pp.136-141
• /
• 2007

The decomposition of chlorinated methanes including $CCl_4$, $CCl_3H$, and $CCl_2H_2$ was carried out using a thermal plasma process and the characteristics of the process were investigated. The thermal equilibrium composition was analyzed with temperature by Fcatsage program. The decomposition rates at various process parameters including the concentration of reactants, flow rate of carrier gas, and quenching rate, were evaluated, where sufficiently high conversion over 92% was achieved. The generation of main products was strongly influenced by the reaction atmosphere; carbon, chlorine, and hydrogen chloride at neutral condition; carbon dioxide, chlorine, and hydrogen chloride at oxidative condition. The decomposition mechanism was speculated considering the results from Factsage and the identification of generated radicals and ionic species. The main decomposition pathways were found to be dissociative electron attachment and oxidative by radicals formed in a plasma state.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2007.02a
• /
• pp.84-84
• /
• 2007

• Journal of Microbiology and Biotechnology
• /
• v.23 no.12
• /
• pp.1699-1707
• /
• 2013

During the fermentative production of 1,3-propanediol under high substrate concentrations, accumulation of intracellular 3-hydroxypropionaldehyde will cause premature cessation of cell growth and glycerol consumption. Discovery of oxidoreductases that can convert 3-hydroxypropionaldehyde to 1,3-propanediol using NADPH as cofactor could serve as a solution to this problem. In this paper, the yqhD gene from Klebsiella pneumoniae DSM2026, which was found encoding an aldehyde reductase (KpAR), was cloned and characterized. KpAR showed broad substrate specificity under physiological direction, whereas no catalytic activity was detected in the oxidation direction, and both NADPH and NADH can be utilized as cofactors. The cofactor binding mechanism was then investigated employing homology modeling and molecular dynamics simulations. Hydrogen-bond analysis showed that the hydrogen-bond interactions between KpAR and NADPH are much stronger than that for NADH. Free-energy decomposition dedicated that residues Gly37 to Val41 contribute most to the cofactor preference through polar interactions. In conclusion, this work provides a novel aldehyde reductase that has potential applications in the development of novel genetically engineered strains in the 1,3-propanediol industry, and gives a better understanding of the mechanisms involved in cofactor binding.

• Proceedings of the Korean Radioactive Waste Society Conference
• /
• 2005.11b
• /
• pp.39-50
• /
• 2005

Electrolytic reduction of uranium oxide to uranium metal was studied in a $LiCl-Li_{2}O$ molten salt system. The reduction mechanism of the uranium oxide to a uranium metal has been studied by means of a cyclic voltammetry. Effects of the layer thickness of the uranium oxide and the thickness of the MgO on the overpotential of the cathode and the anode were investigated by means of a chronopotentiometry. From the cyclic voltamograms, the decomposition potentials of the metal oxides are the determining factors for the mechanism of the reduction of the uranium oxide in a $LiCl-3\;wt{\%} Li_{2}O$ molten salt and the two mechanisms of the electrolytic reduction were considered with regards to the applied cathode potential. In the chronopotentiograms, the exchange current and the transfer coefficient based on the Tafel behavior were obtained with regard to the layer thickness of the uranium oxide which is loaded into the porous MgO membrane and the thickness of the porous MgO membrane. The maximum allowable currents for the changes of the layer thickness of the uranium oxide and the thickness of the MgO membrane were also obtained from the limiting potential which is the decomposition potential of LiCl.

• Journal of Korea Foundry Society
• /
• v.23 no.5
• /
• pp.268-275
• /
• 2003

The mechanism of the hydrogen gas pore formation was investigated in Lost Foam Casting of Al-alloy by reduced pressure test and real casting. The hydrogen gas pick-up was affected by the formed gas during the decomposition of polystyrene in addition to the liquid product. It depended on pouring temperature and a proper temperature of metal front gave the minimum hydrogen pick-up. At a low pouring temperature, the hydrogen went into the melt mainly from entrapped liquid product of polystyrene but pores were formed from the gas as well as the liquid product at a high pouring temperature. The mold flask evacuation down to 710torr decreased the gas porosity down by around 0.4% vol%. The entrapped decomposition product of polystyrene in the melt was observed through the visualization of filling behavior of Al alloy-melt with the high speed camera.

• Korean Journal of Remote Sensing
• /
• v.29 no.1
• /
• pp.57-68
• /
• 2013

Large-scale coastal construction projects, such as land reclamation and dykes, were constructed from the late twentieth century in Yoobu-Do region. Land reclamation combined with the dynamics of tidal currents may have accelerated local sedimentation and erosion resulting in rapid reformation of coastal topography. This study presents the results of the topography changes around Yoobu-Do by large-scale coastal constructions using time-series waterline extraction technique of Landsat TM/ETM+ data acquired from 1998 to 2012. Furthermore, the Freeman-Durden decomposition was applied to fully polarimetric RADARSAT-2 SAR data in order to analyze the scattering mechanisms of the deposited surface. According to the case study, the deposition areas were over 4.5 $km^2$ and distributed in the east, northeast, and west of Yoobu-Do. In the eastern deposition area, it was found that the scattering mechanism was difference from other deposition areas possibly indicating that different types of soil were deposited.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.7
• /
• pp.2013-2018
• /
• 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.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.3
• /
• pp.350-356
• /
• 2003

The mechanism of the decomposition of a bronchodilator, S-nitroso-N-acetyl-D,L-penicillamine (SNAP) by a bronchoconstrictor, aqueous sulfite, has been investigated in detail. The decomposition was studied using a conventional spectrophotometer at 336 nm over the ranges: 0.010 ≤ $[S^{IV}]_T$ ≤ 0.045 mol $dm^{-3}$, 3.96 ≤ pH ≤ 6.80 and 15.0 ≤ θ≤ 30.0 ℃, 0.60 ≤ I ≤ 1.00 mol $dm^{-3}$, and at ionic strength 1.00 mol $dm^{-3}$ (NaCl). The rate of reaction is dependent on the total sulfite concentration and pH in a complex manner, i.e., $k_{obs}\;=\;k_1K_2[S^{IV}]_T/ ([H^+]\;+\;K_2)$. At 25.0 ℃, the second order rate constant, $k_1$, was determined as $12.5\;{\pm}\;0.15\;mol^{-1}\;dm^3\;s^{-1}$. ${\Delta}H^{neq}\;=\;+32\;{\pm}\;3 kJ\;mol^{-1}\;and\;{\Delta}S^{\neq}\;=\;-138\;{\pm}\;13\;J\;mol^{-1}K^{-1}$. The N-nitrosohydroxylamine-N-sulfonate ion was detected as an intermediate before the formation of any of the by-products, namely, N-acetyl-D,L-penicillamine. The effect of concentration of aqueous copper(Ⅱ) ions on this reaction was also examined at pH 4.75, but there was no dependence on $[Cu^{2+}]$. In addition, the $pK_a$ of SNAP was determined as 3.51 ± 0.06 at 25.4 ℃ [I = 1.0 mol $dm^{-3}$ (NaCl)].

• Journal of the Korean Society for Aeronautical & Space Sciences
• /
• v.47 no.10
• /
• pp.720-727
• /
• 2019

Resonating thermal lags of solid fuel with heat transfer oscillations generated by boundary layer oscillation is the primary mechanism of the occurrence of the LFI (Low Frequency Combustion Instability) in hybrid rocket combustion. This study was experimentally attempted to confirm that how the boundary layer was perturbed and led to the LFI. Special attention was also made on oxidizer swirl injection to investigate the contribution to combustion stabilization. Also the overall behavior of fluctuating boundary layer flow and the occurrence of the LFI was monitored as swirl intensity increased. Fluctuating boundary layer was successfully monitored by the captured image and POD (Proper Orthogonal Decomposition) analysis. In the results, oscillating boundary layer became stabilized as the swirl intensity increases. And the coupling strength between high frequency p', q' diminished and periodical amplification of RI (Rayleigh Index) with similar frequency band of thermal lag was also decreased. Thus, results confirmed that oscillating axial boundary layer triggered by periodic coupling of high frequency p', q' is the primary mechanism to excite thermal resonance with thermal lag characteristics of solid fuel.

• Journal of Powder Materials
• /
• v.9 no.6
• /
• pp.422-432
• /
• 2002

Mechanically driven decomposition of intermetallics during mechanical milling(MM 1 was investigated. This process for Fe-Ce and Fe-Sn system was studied using conventional XRD, DSC, magnetization and alternative current susceptibility measurements. Mechanical alloying and milling form products of the following composition (in sequence of increasing Gecontent): $\alpha$(${\alpha}_1$) bcc solid solution, $\alpha$+$\beta$-phase ($Fe_{2-x}Ge$), $\beta$-phase, $\beta$+FeGe(B20), FeGE(B20), FeGe(B20)+$FeGe_2$,$FeGe_2$,$FeGe_2$+Ge, Ge. Incongruently melting intermetallics $Fe_6Ge_5$ and $Fe_2Ge_3$ decompose under milling. $Fe_6Ge_5$ produces mixture of $\hat{a}$-phase and FeGe(B20), $Fe_2Ge_3$ produces mixture of FeGe(B20) and $FeGe_2$ phases. These facts are in good agreement with the model that implies local melting as a mechanism of new phase for-mation during medchanical alloying. Stability of FeGe(B20) phase, which is also incongruently melting compound, is explained as a result of highest density of this phase in Fe-Ge system. Under mechanical milling (MM) in planetary ball mill, FeSn intermetallic decomposes with formation $Fe_5Sn_3$ and $FeSn_2$ phases, which have the biggest density among the phases of Fe-Sn system. If decomposition degree of FeSn is relatively small(<60%), milled powder shows superparamagnetic behavior at room temperature. For this case, magnetization curves can be fitted by superposition of two Langevin functions. particle sizes for ferromagnetic $Fe_5Sn_3$ phase determined from fitting parameters are in good agreement with crystalline sizes determined from XRD data and remiain approximately chageless during MM. The decomposition of FeSn is attributed to the effects of local temperature and local pressure produced by ball collisions.