• The Korean Journal of Pesticide Science
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• 제11권2호
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• pp.72-81
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• 2007

Quantitative structure-activity relationships (QSARs) on the pre-emergency herbicidal activity and reactivity of a series of new O,O-dialkyl-1-phenoxyacetoxy-1-methylphosphonates (S) analogues against seed of cucumber (Cucumus Sativa) were discussed quantitatively using 2D-QSAR and HQSAR methods. The statistical values of HQSAR model were better than that of 2D-QSAR model. From the frontier molecular orbital (FMO) interaction between substrate molecule (S) and $BH^+$ ion (I) in PDH enzyme, the electrophilic reaction was superior in reactivity. From the effect of substituents, $R_2$-groups in substrate molecule (S) contributed to electrophilic reaction with carbonyl oxygen atom while X, Y-groups contributed to nucleophilic reaction with carbonyl carbon atom. And the influence of X,Y-groups was more effective than that of $R_2$-groups. As a results of 2D-QSAR model (I & II) and atomic contribution maps with HQSAR model, the more length of X, Y-groups is longer, the more herbicidal activity tends to increased. And also, the optimal ${\epsilon}LUMO$ energy, $({\epsilon}LUMO)_{opt.}$=-0.479 (e.v.) of substrate molecule is important factor in determining the herbicidal activity. It is predicted that the herbicidal activity proceeds through a nucleophilic reaction. From the analytical results of 2D-QSAR and HQSAR model, it is suggested that the structural distinctions and descriptors that contribute to herbicidal activities will be able to applied new herbicide design.

• Journal of the Korean Chemical Society
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• 제28권6호
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• pp.384-392
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• 1984

Reaction of the Fe(II) complex of a fully saturated tetradentate macrocyclic ligand [Fe([14]aneN$_4)(CH_3CN)_2]^{2+}$, where [14]ane$N_4$ represents 1,4,8,11-tetraazacyclotetradecane, with $O_2$ has been investigated in acetonitrile solutions. [Fe([14]aneN$_4)(CH_3CN)_2]^{2+}$ reacts with oxygen to yield low spin Fe(III) species, [Fe([14]aneN$_4)(CH_3CN)_2]^{3+}$, which undergoes metal ion assisted oxidative dehydrogenation of the macrocyclic ligand to produce low spin Fe(II) complex, [Fe([14]tetraeneN$_4)(CH_3CN)_2]^{2+}$. The macrocyclic ligand in [Fe([14]tetraeneN$_4)(CH_3CN)_2]^{2+}$ is highly unsaturated and its double bonds are conjugated. [Fe([14]dieneN$_4)(CH_3CN)_2]^{2+}$ and [Fe([14]dieneN$_4)(CH_3CN)_2]^{3+}$ are isolated as the intermediates of the reaction. The Fe(II) complexes involved in this oxidative dehydrogenation reaction react with carbon monoxide to give respective carbon monoxide derivatives, [FeL$(CH_3CN)(CO)]^{2+}$ (where L = macrocyclic ligand). The values of $v_{CO}$ of [FeL$(CH_3CN)(CO)]^{2+}$, and the electrochemical oxidation potentials of Fe(II) ${\to}$ Fe(III) and the qualitative stability toward air-oxidation for [FeL(CH$_3CN_2)^{2+}$ increase as the degree of unsaturation of the macrocyclic ligands increase.

• Korean Journal of Materials Research
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• 제8권8호
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• pp.720-725
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• 1998

As a basic study on the production of $Sm_{2}Fe_{17}N_{x}$ system rare earth permanent magnet by the reduction and diffusion(R- D) process, firstly the reduction reaction of $Sm_2O_3$ by metallic Ca and diffusion of Sm into Fe powder was investigated for the production the $Sm_{2}Fe_{17}$intermetallic compound. We concluded that the former case was very rapidly completed under the high temperature greater than 100$0^{\circ}C$ and the latter case of completion of diffusion reaction of Sm into the center of Fe powder(perfect homogenization condition) was required through 3h R- D reaction at 110$0^{\circ}C$ and identified as a rate determining step(RDS) on the whole reaction. Though $SmFe_2,SmFe_3$, and $Sm_{2}Fe_{17}$phases in the growth of phases of intermetallic compound in the Sm - Fe binary system were obseved below 100$0^{\circ}C$, but only $Sm_{2}Fe_{17}$phase was observed at lIOO$^{\circ}C$. Oxygen and Ca contents of the final sample in this work were 0.72wt% and O. 11 wt% respectively.

• Resources Recycling
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• 제25권5호
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• pp.75-83
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• 2016

AlN powder was prepared by carbon reduction and subsequent nitridation method through the scale-up experiments of 0.7 ~ 1.5 kg per batch. AlN powder was synthesized using the mixture of $Al_2O_3$ powder and carbon black at $1,550{\sim}1,750^{\circ}C$ for 0.5 ~ 4 hours under nitrogen atmosphere (flow rate of nitrogen gas: $10{\sim}40{\ell}/min$) at $2.0{\times}10^{-1}Torr$. Experimental results showed that $1,700{\sim}1,750^{\circ}C$ for the reaction temperature, 3 hr for reaction time, and $40{\ell}/min$ for the flow rate of nitrogen gas were the optimal conditions. Also, in order to remove carbon in the synthesized AlN, the remained carbon was removed at $650{\sim}750^{\circ}C$ for 1 ~ 2 hr using horizontal tube furnace. The results showed that 1 : 3.2 mol ratio of $Al_2O_3$ to carbon black, reaction temperature of $750^{\circ}C$, reaction time of 2 hours, rotating speed of 1.5 rpm under atmosphere condition were the optimal conditions. Under these conditions, high-purity AlN powder over 99% could be prepared: carbon and oxygen contents of the AlN powder were 835 ppm and 0.77%, respectively.

• Korean Chemical Engineering Research
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• 제48권5호
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• pp.556-560
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• 2010

An atmospheric surface modification using plasma treatment method was applied to butadiene rubber to improve its adhesion strength by plate type reactor. In order to investigate the optimum reaction condition of plasma treatment, type of reaction gas(nitrogen, argon, oxygen, air), gas flow rate(30~100 mL/min), treated time(0~30 s) and primer modification method(GMA, 2-HEMA) were examined in a plate type plasma reactor. The results of the surface modification with respect to the treatment procedure was characterized by using SEM and ATR-FTIR. As the gas flow rate and treated time increases the contact angle decreases. The greatest adhesion strength was achieved at optimum condition such as flow rate of 60 mL/min, treated time 5 s and modification primer containing 2-HEMA for air. Due to the atmospheric surface modification using plate plasma method consequently reduced the wettability of butadiene rubber and resulted in the improvement of the adhesion.

• Journal of Korea Foresty Energy
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• 제23권1호
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• pp.45-68
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• 2004

The word of lignin is derived from the Latin word 'ligum' meaning wood. Lignin is complex polymer consisting of coniferyl alcohol, sinapyl alcohol and p-coumaryl alcohol unit and has an amorphous, three dimensional network structure which is hard to be hydrolyzed by acid. Lignin is found in the cell wall of plants lignified. The mode of polymerization of these alcohols in the cell wall lead to a heterogeneous branched and cross-linked polymer in which phenyl propane units are linked by carbon-carbon and carbon-oxygen bonds. This polymerization of precursors, p-coumaryl alcohol, coniferyl alcohol and sinapyl alcohol to lignin is formed by enzymic dehydrolyzation. The reaction is initiated by an electron transfer which results in the formation of resonance-stabilized phenoxy radical. The combination of these radicals produces a variety of dimers, trimers and oligomers and so on. Lignin research has been divided into basic and practical application field. The basic studies contains biosynthesis, chemical structure, distribution in the cell wall and reactivity by reductants, oxidants and organic solvents. The application research will be approached the reaction of lignin in various pulp making involving pulp bleaching and its effect on pulp qualities. Lignin also will be studied for the production of fine chemicals, polymer products and the conservation into an energy source like petroleum oil because the amount of lignin produced in pulp making process is more than 51,000,000 tons per year in the world. Both basic and application research must lay emphasis on the development for the utilization of lignin and the pulping process. But these researches can not be completed without understanding lignin structure containing functional groups. Therefore, this paper was focused on the review of lignin formulation which has been studied since 1948 in chronological order. This review was based on monomers, dimers, trimers and tetramers of phenyl propane unit structures which were isolated and identified by different methods from various wood.ious wood.

• Transactions of the Korean hydrogen and new energy society
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• 제31권1호
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• pp.82-88
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• 2020

Recently, a fuel reforming plant for supplying high purity hydrogen has been studied to increase the operation time of underwater weapon systems. Since steam reforming is an endothermic reaction, it is necessary to continuously supply heat to the reactor. A fuel reforming plant needs a methanol-O₂ catalytic burner to obtain heat and supply heat to the reformer. In this study, two types of designs of a catalytic burner are presented and the results are analyzed through the experiments. The design of the catalytic burner is divided into that the O₂ supply direction is perpendicular to the methanol flow direction (Design 1) and the same as the methanol flow direction (Design 2). In case of Design 1, backfire and flame combustion occurred in the mixing space in front of the catalyst, and in the absence of the mixing space, combustion reaction occurred only in a part of the catalyst. For above reasons, Design 1 could not increase the exhaust gas temperature to 750℃. In Design 2, no flashback and flame combustion were observed, the exhaust gas could be maintained up to 750℃. However, the O₂ distributor was exposed to high temperatures, resulting in thermal damage.

• Applied Chemistry for Engineering
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• 제9권6호
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• pp.878-883
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• 1998

The methane combustion reaction was conducted over Pb-ZSM-5 catalysts. ZSM-5 synthesized at low temperature and atomospheric pressure was used as a support. The change of methane conversion with $SiO_2/Al_2O_3$ molar ratio was tested. The methane conversions of the synthesized Pb-ZSM-5 catalyst was compared with those of a commercial Pd-ZSM-5(PQ Co.) and $PdO/{\gamma}-Al_2O_3$. The methane conversion increased with the decrease in $SiO_2/Al_2O_3$ molar ratio. The combustion rate of methane also increased with the decrease in $SiO_2/Al_2O_3$ molar ratio. The synthesized Pb-ZSM-5 showed better methane conversion than that of the commercial one. It is found that a crucial factor in methane combustion reaction is oxygen adsorption strength on the catalysts.

• Journal of the Korean Applied Science and Technology
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• 제8권1호
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• pp.59-67
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• 1991

The reactions of semicarbazide hydrochloride with aliphatic and alicyclic ketones were studied kinetically at 15, 25, 35 and 45$^{\circ}C$ in 20% ethanol solution buffered at pH 2.9. The rate of cyclohexanone semicarbazone formation is 5.5 times as fast as that of cyclopentanone semicarbazone, while 3-pentanone semicarbazone is 4.7 times as slow as that of 2-pentanone, The activation energy of cyclohexanone, 2-pentanone, 2 hexanone, cyclopentanone, 4-methyl-2-pentanone and 3-pentanone semicarbazone formation are calculated 5.08, 7.52, 8.79, 9.59, 9.49, 11.59, respectively. It is concluded from the effect of ionic strength that the reaction is affected by not ion but neutral molecules being progressed hydrogen bond between oxygen atom of carbonyl group and hydrogen atom of acid-catalyst and concerted nucleophilic attack of free base on the carbonly compound. Dependence on pH of the rate of 2-pentanone semicarbozone formation is linear relationship below pH 4.60 and above pH 5.60. As a result of studing citric acid catalysis, second order constants increase linearly with citric acid concentration. As the catalyst concentration is varied from 0.025 to 0.10 mol/1 at pH 2.90, the rate constants increase 1.4 times, but slight increase is observed at pH 5.60. Conclusively, the rate-determining step is formation of tetrahedral interemediate below pH 4.65 and dehydration between pH 5.60 and pH 7.11. It is concluded that the formation reaction of cyclohexanone semicarbazone is faster than cyclopentanone semicarbazone due to the steric strain in the process of forming tetrahedral intermediate.

• Journal of Electrochemical Science and Technology
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• 제3권3호
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• pp.123-134
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• 2012

The electrochemical performance of positive pole grids of lead-acid batteries made of Pb-0.08%Ca-1.1%Sn alloys without and with 0.1 wt% of each of Cu, As or Sb and with 0.1 wt% of Cu, As and Sb combined was investigated by electrochemical methods in 4.0 M $H_2SO_4$. The corrodibility of alloys under open-circuit conditions and constant current charging of the positive pole, the positive pole gassing and the self-discharge of the charged positive pole were studied. All impurities (Cu, As, Sb) were found to decrease the corrosion resistance, $R_{corr}$ after 1/2 hour corrosion, but after 24 hours an improvement in $R_{corr}$ was recorded for Sb containing alloy and the alloy with the three impurities combined. While an individual impurity was found to enhance oxygen evolution reaction, the impurities combined significantly inhibition this reaction and the related water loss problem was improved. Impedance results were found helpful in identification of the species involved in the charging/discharging and the self-discharge of the positive pole. Impurities individually or combined were found to increase the self-discharge during polarization (33-68%), where Sb containing alloy was the worst and impurities combined alloy was the least. The corrosion of the positive pole grid in the constant current charging was found to increase in the presence of impurities by 5-10%. Under open-circuit, the self-discharge of the charged positive grids was found to increase significantly (92-212%) in the presence of impurities, with Sb-containing alloy was the worst. The important result of the study is that the harmful effect of the studied impurities combined was not additive but sometimes lesser than any individual impurity.