• Journal of the Korean Society of Combustion
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• v.5 no.1
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• pp.7-18
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• 2000

Numerical simulations of counterflow non-premixed $CH_4/C_2HCl_3/Air$ flames added 8%(by volume) C2HCl3 on the fuel side are conducted at atmospheric pressure using a detailed chemical reaction mechanism in order to understand the effect of strain rates. A detailed sensitivity analysis is also performed in order to assess the relative influence of each reaction on the flame established at a strain rate of 200s-1. The structure of flames (i.e., temperature, velocity, and concentration of species) established at both a strain rate of 150s-1 and 300s-1 are investigated. As the strain rate increases, the "flame zone" is restricted to a narrower range and the position of maximum temperature is shifted to the fuel side. The concentrations of major species, H2O, CO, H2, HCl, Cl2, and Cl are decreased with increased strain rate. The reaction involving chlorine, CH4 + Cl $\rightarrow$ CH3 + HCl, instead of the reaction, CH4 + H $\rightarrow$ CH3 + H2 influences the consumption of methane. C2HCl3 + OH $\rightarrow$ CHCl2 + CHOCl and HCl + OH $\rightarrow$ H2O + Cl, are major reactions, through which OH radicals are consumed.

• Biomedical Science Letters
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• v.12 no.3
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• pp.241-247
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• 2006

To evaluate an effect of pathological liver damage on the cyclohexane (CH) metabolism, rats were pretreated with 50% carbon tetrachloride $(CCl_4)$ dissolved in olive oil (0.1ml/100g body weight) 10 or 17 times intraperitoneally at intervals of every other day. To these liver damaged animals, CH (a single dose of 1.56g/kg body weight, i.p.) was administered at 48hr after the last injection of $CCl_4$. The CH metabolites; cyclohexanol (CH-ol), cyclohexane-l,2-diol (CH-l,2-diol) and cyclohexane-l,4-diol (CH-l,4-diol) and cyclohexanone (CH-one) were detected in the urine of CH treated rats. After CH treatment, the serum levels of CH-ol and CH-one were remarkably increased at 4 hr and then decreased at 8hr in normal group. Whereas in liver damaged rats, these CH metabolites were higher at 8hr than at 4hr. The excretion rate of CH metabolites trom serum into urine was more decreased in liver damaged animals than normal group, with the levels of excretion rate being lower in $CCl_4$ 17 times injected animals than 10 times injected ones. It was interesting that the urinary concentration of CH metabolites was generally more increased in liver damaged animals than normal ones, and the increasing rate was higher in $CCl_4$ 17 times injected rats than 10 times injected ones. Taken all together, it is assumed that reduced urinary excretion rate of CH metabolites in liver damaged rats might be resulted from deteriorated hepatic and renal blood flow, and an increased urinary excretion amount of CH metabolites in liver damaged rats might be caused by reduced expiration amount of the metabolites due to lung damage.

• Journal of the Korean Chemical Society
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• v.39 no.5
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• pp.364-370
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• 1995

The catalytic oxidations of several olefins in $CH_2Cl_2$ have been investigated using non-redox metalloporphyrin (M=Ga(III), In(III), Tl(III)) complexes as catalyst and sodium hypochlorite as terminal oxidant. Porphyrins were $(p-CH_3O)TPP,\;(p-CH_3)TPP,\;TPP,\;(p-F)TPP,\;(p-Cl)TPP\;and\;(F_20)TPP$ (TPP=tetraphenylporphyrin), and olefins were $(p-CH_3O)-,\;(p-CH_3)-,\;(p-H)-,\;(p-F)-,\;(p-Cl)-\;and\;(p-Br)styrene$styrene and cyclopentene and cyclohexene. The substrate conversion yield was discussed according to the substituent effects of metalloporphyrin and substrate, and the radius effect of non-redox metal ion. The conversion yield of substrate by changing the substituent of TPP increased in the order of $p-CH_3O$ < $p-CH_3$ < H < p-F < p-Cl, which was consistent with the sequence of $4{\sigma}$ values of TPP. But the substituent effect of substrate on the conversion yield decreased with increasing the ${\sigma}^+$ values on substrates in the order of p-CH3O > p-CH3 > H > p-Cl > p-Br. For the oxidation of several olefins, the complexes of In(III)- and Tl(III)-porphyrins turned out to be more active catalysts than Ga(III)-porphyrin.

• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.43-46
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• 2005

Reaction energies were determined for reductive ring-opening reactions of Li$^+$-coordinated ethylene carbonate (EC) and vinylene carbonate (VC) by a density functional method. We have also explored the ring-opening of Li$^+$-EC and Li$^+$-VC by reaction with a nucleophile (CH$_3$O$^-$.) thermodynamically. Our thermodynamic calculations led us to conclude that the possible reaction products are CH$_3$OCH$_2$CH$_2$OCO$_2$Li (O$_2$-C$_3$ cleavage) for Li$^+$-EC +CH$_3$O$^-$., and CH$_3$OCHCHOCO$_2$Li (O$_2$-C$_3$ cleavage) and CH$_3$OCO$_2$CHCHOLi (C$_1$-O$_2$ cleavage) for Li$^+$-VC +CH$_3$O$^-$.. The opening of VC would occur at the C$_1$-O$_2$ side by a kinetic reason, although the opening at the O$_2$-C$_3$ side is more favorable thermodynamically.

• Membrane Journal
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• v.25 no.1
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• pp.27-31
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• 2015

PEBAX[poly(ether-block-amide)]-NaY zeolite composite membrane was studied on the permeability of penetrant $H_2$, $N_2$, $CO_2$ and $CH_4$ and the selectivity. When the NaY zeolite contents of PEBAX-NaY zeolite membranes were increased, the permeability of $H_2$ was increased, but the permeability of $N_2$, $CH_4$ and $CO_2$ was decreased. By the addition of NaY zeolite into PEBAX, the gas selectivity for $H_2$, $N_2$ and $CO_2$ was decreased except the increase of selectivity of $H_2/N_2$. $CO_2/N_2$, $H_2/CO_2$ and Gas/$CH_4$. The highest selectivity among these gases was from $CO_2$. In particular, the gas selectivity for $CO_2$ was the greatest with a value of 12~156.

• Animal Bioscience
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• v.37 no.2
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• pp.173-183
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• 2024

Objective: This study aimed to evaluate whether the methane (CH₄) to carbon dioxide (CO₂) ratio (CH₄/CO₂) and methane-related traits obtained by the sniffer method can be used as indicators for genetic selection of Holstein cows with lower CH₄ emissions. Methods: The sniffer method was used to simultaneously measure the concentrations of CH₄ and CO₂ during milking in each milking box of the automatic milking system to obtain CH₄/CO₂. Methane-related traits, which included CH₄ emissions, CH₄ per energy-corrected milk, methane conversion factor (MCF), and residual CH₄, were calculated. First, we investigated the impact of the model with and without body weight (BW) on the lactation stage and parity for predicting methane-related traits using a first on-farm dataset (Farm 1; 400 records for 74 Holstein cows). Second, we estimated the genetic parameters for CH₄/CO₂ and methane-related traits using a second on-farm dataset (Farm 2; 520 records for 182 Holstein cows). Third, we compared the repeatability and environmental effects on these traits in both farm datasets. Results: The data from Farm 1 revealed that MCF can be reliably evaluated during the lactation stage and parity, even when BW is excluded from the model. Farm 2 data revealed low heritability and moderate repeatability for CH₄/CO₂ (0.12 and 0.46, respectively) and MCF (0.13 and 0.38, respectively). In addition, the estimated genetic correlation of milk yield with CH₄/CO₂ was low (0.07) and that with MCF was moderate (-0.53). The on-farm data indicated that CH₄/CO₂ and MCF could be evaluated consistently during the lactation stage and parity with moderate repeatability on both farms. Conclusion: This study demonstrated the on-farm applicability of the sniffer method for selecting cows with low CH₄ emissions.

• Korean Journal of Materials Research
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• v.13 no.1
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• pp.31-35
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• 2003

The intensity is measured as functions of both distance from filament to substrate and $CH_3$OH/($CH_3$OH＋$H_2$O) ratio by OES(Optical Emission Spectroscopy) to investigate the effects of activation species such as $H_{\alpha}$, $H_{\beta}$, H$\Upsilon\;C_3$, CH on diamond film growth.$ H_{\alpha}$ increases as $CH_3$OH composition decreases, while CH increases as $CH_3$OH composition increases. The intensity of $H_{\alpha}$ decreases as the distance increases and that of CH increases as the distance increases. The intensities of other activation species of $H_{\beta}$, H$\Upsilon\;C_3$, do not vary as a function of measured position distance. It varies randomly. It means that various parameters for depositing diamond thin film can be explained by the intensity(density) change of activation species, as a function of the distance of the filament.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2517-2522
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• 2012

New polynuclear poly(hexaaza macrocyclic) copper(II) complexes $[1](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, $[2](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, and $[3](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$ have been prepared by the one-pot reaction of formaldehyde with ethylenediamine and 1,2-bis(2-aminoethoxy)ethane, 1,3-diaminopropane, or 1,6-diaminohexane in the presence of the metal ion. The polymer complexes contain fully saturated 14-membered hexaaza macrocyclic units (1,3,6,8,10,13-hexaazacyclotetradecane) that are linked by $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-N$, $N-(CH_2)_3-N$, or $N-(CH_2)_6-N$ chains. The mononuclear complex $[Cu(H_2L^5)](ClO_4)_4$ ($H_2L^5$ = a protonated form of $L^5$) bearing two $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-NH_2$ pendant arms has also been prepared by the metal-directed reaction of ethylenediamine, 1,2-bis(2-aminoethoxy)ethane, and formaldehyde. The polymer complexes were characterized employing elemental analyses, FT-IR and electronic absorption spectra, molar conductance, X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron micrograph (SEM). Electronic absorption spectra of the complexes show that each macrocyclic unit of them has square-planar coordination geometry with a 5-6-5-6 chelate ring sequence. The polymer complexes as well as $[Cu(H_2L^5)]^{4+}$ are quite stable even in concentrated $HClO_4$ solutions. Synthesis and characterization of the polynuclear and mononuclear copper(II) complexes are reported.

• Bulletin of the Korean Chemical Society
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• v.30 no.7
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• pp.1470-1474
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• 2009

Thermal and photochemistry of methyl iodide ($CH_3I)\;adsorbed\;on\;D_2O$ ice film on Cu(111) at 100 K were studied using temperature-programmed desorption (TPD) time-of-flight mass spectrometry (TOF-MS), X-ray and ultraviolet photoelectron spectroscopies. On the basis of TPD, multilayer and monolayer $CH_3I$ molecules desorb from $D_2O$ ice layer at 120 and 130 K, respectively. Photo-irradiation at 100 K exhibits dramatic changes in the TPD and I $3d_{5/2}\;XPS\;of\;CH_3I$ on ice film, due to a dramatic dissociation of $CH_3I$. The dissociation is likely activated by solvated electrons transferred from the metal substrate during photo-irradiation. No other photo-initiated reaction products were found within our instrumental detection limit. During photo-irradiation, the $CH_3I$, $CH_3$ and I could be trapped (or solvated) in ice film by rearrangement (and self-diffusion) of water molecules. A newly appeared parent molecular desorption peak at 145 K is attributed to trapped $CH_3I$. In addition, the $CH_3$ and I may diffuse through ice and chemisorb on Cu(111), indicated by TPD and I $d_{5/2}$ XPS taken with photo-irradiation time, respectively. No molecular ejection was found during photo-irradiation at 100 K. The work functions for $CH_3I/Cu(111),\;D_2O/Cu(111)\;and\;CH_3I/D_2$O/Cu(111) were all measured to be about 3.9 eV, 1.0 eV downward shift from that of clean Cu(111).

• Bulletin of the Korean Chemical Society
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• v.18 no.11
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• pp.1162-1166
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• 1997

Nature of palladium(Ⅱ) complexes with 7-membered chelates was studied by experimental and theoretical methods on a Pd(L)Cl2 system, where L is Ph2PNHCH2CH2NHPPh2(L1), Ph2PNHC6H4NHPPh2(L2). The palladium(Ⅱ) complexes were prepared and characterized by elemental analysis, IR, UV, 1H, and 31P NMR spectroscopy. Ab initio calculations with geometry optimizations were also performed for related model systems, Pd(L)Cl2; L=R2PNH(CH2)2NHPR2(L3), R2PNHC6H4NHPR2(L4), R2P(CH2)4PR2(L5), R2PCH2(C6H4)CH2PR2(L6); R=H, CH3.