• Title/Summary/Keyword: Reaction Degree

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Theoretical Studies on the Hydrogen Atom Transfer Reaction (Ⅱ)$^*$

  • Lee, Ik-Choon;Song, Chang-Hyun;Lee, Byung-Choon
    • Bulletin of the Korean Chemical Society
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    • v.6 no.6
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    • pp.362-366
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    • 1985
  • The hydrogen atom transfer reaction between substituted methane, $CH_3X,$ and its radical, $CH_2X(X=H,F,CH_3,CN,OH\;and\;NH_2$ was studied by MINDO/3 method. The transition state(TS) structure and energy barriers were determined and variation of the transition state and of the reactivity due to the change of X were analyzed based on the potential energy surface characteristics. It was found that the greater the radical stabilization energy. the looser the TS becomes; the TS occurs at about 15% stretch of the C-H bond, which becomes longer as the radical stabilization energy of $CH_2X$ increasers. The intrinsic barrier, ${\Delta}E*_{x.x},$ of the reaction with X was found to increase in the order $H The degree of bond stretch of the C-H bond stretch of the C-H bond at the TS also had the same order indicating that the homolytic bond cleavage of the C-H bond is rate-determining. Orbital interactions at the TS between LUMO of the fragment $C{\ldots}H{\ldots}C$ and the symmetry adapted pair of nonbonding, $n{\pm}(=n_1{\pm}n_2),$ or pi orbitals of the two X atoms were shown to be the dominant contribution in determining tightness or looseness of the TS. The Marcus equation was shown to apply to the MINDO/3 barriers and energy changes of the reaction.

Improving the CO2 Sequestration Capability and Mechanical Properties of CO2 Reactive Cement Paste Using pH Swing Method (pH Swing법을 활용한 이산화탄소 반응경화형 시멘트 경화체의 CO2 고정화 성능 및 기계적 물성 개선)

  • Cho, Seong-Min;Kim, Gyeong-Ryul;Bae, Sung-Chul
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2023.05a
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    • pp.115-116
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    • 2023
  • This study aims to investigate and improve the carbon dioxide sequestration capability and the mechanical properties of non-hydraulic low calcium silicate cement especially designed for CO2 reaction and ordinary Portland cement subjected to the carbonation curing facilitating pH swing method. Nitric acid (HNO3) was utilized as an liquid for the mixing of cement paste to enhance the initial dissolution of Ca ions from the cements by promoting low pH environment and prevent the direct precipitation of Ca with the anion, owing to the high solubility of Ca(NO3)2 in water. The results presented that the higher the concentration of HNO3, the higher the compressive strength and CO2 sequestration (until 0.1 M). Ca dissolution caused by the harsh acid attack onto the anhydrous cement particle lead to the higher carbonation reaction degree, forming abundant CaCO3 crystals after the reaction. However, cement paste mixed with excessively high concentration of HNO3 presented deterioration due to the too harsh pH environment and abundant NO3- ions which are known to retard the reaction of cement.

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Synthesis and Non-Isothermal Crystallization Behaviors of Maleic Anhydride onto High Density Polyethylene

  • Ahn, Youngjun;Jeon, Jong Hyuk;Baek, Chul Seoung;Yu, Young Hwan;Thenepalli, Thriveni;Ahn, Ji Whan;Han, Choon
    • Journal of the Korean Ceramic Society
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    • v.53 no.1
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    • pp.24-33
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    • 2016
  • The grafting reaction for maleic anhydride (MA) onto high density polyethylene (HDPE) was investigated from solution process with initiators. The chemical modification of neat HDPE was carried out with various contents of MA (3-21 wt.%) and initiator (0.2-1 wt.%) at different temperature ($80-130^{\circ}C$). The grafting degree was obtained from the titration and the highest grafting degree was 3.1%. The grafting degree increased as the content of MA and initiator increased, however, the highest grafting degree was demonstrated for a particular content of MA and initiator. In the non-isothermal crystallization kinetics, the Ozawa model was unsuitable method to investigate the crystallization behavior of MA onto HDPE, whereas the Avrami and Liu models found effective. The crystallization rate was accelerated as the cooling rate increased, but postponed by combination of MA onto neat HDPE backbone.

The Effect of Spor ts Taping on Lower Extremity Muscles in Ver tical Jump (수직점프 시 스포츠 테이핑이 하지의 운동학적 변인에 미치는 영향)

  • Lee, Jong-Hun;Lee, Young-Sik
    • Korean Journal of Applied Biomechanics
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    • v.20 no.4
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    • pp.407-414
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    • 2010
  • The purpose of this study was to evaluate the effect of taping-tape with or without using spiral taping on vertical jump. The subjects for this study were about 20 years old healthy male college students without muscloskeletal diseases. Data for EMG activity and Ground Reaction Force(GRF) were estimated at three knee angles(i.e., 45, 90 & full degree). As a result, there was no statistical significance in max GRF at 90 and full degree regardless of spiral taping-tape. On the other hand, statistical significance was found when vertically jumping at 45 degree knee angle(p<.05). All the data for EMG activity at the three knee angles were not statistically significant, but there was a trend for a decrease in average EMG activity in elector spinae & Medial gastrocnemius at 90 degree knee angle. Based on these data, initial flexor action of knee was stabilized with spiral taping-tape when vertically jumping, resulting in improved muscular activity in Medial gastrocnemius. In conclusion, taping technique for jumping ability associated muscles like quadriceps is also required to develop.

Effects of pressure during the synthesis of petroleum pitch precursors in open and closed systems

  • Choi, Jong-Eun;Ko, Seunghyun;Kim, Jong Gu;Jeon, Young-Pyo
    • Carbon letters
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    • v.25
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    • pp.95-102
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    • 2018
  • We examined the pressure effects on petroleum pitch synthesis by using open and closed reaction systems. The pressure effects that occur during the pitch synthesis were investigated in three pressure systems: a closed system of high pressure and two open systems under either an atmosphere or vacuum. A thermal reaction in the closed system led to the high product yield of a pitch by suppressing the release of light components in pyrolysis fuel oil. Atmospheric treatment mainly enhanced the polymerization degree of the pitch via condensation and a polymerization reaction. Vacuum treatment results in a softening point increase due to the removal of components with low molecular weights. To utilize such characteristic effects of system pressure during pitch preparations, we proposed a method for synthesizing cost-competitive pitch precursors for carbon materials. The first step is to increase product yield by using a closed system; the second step is to increase the degree of polymerization toward the desired molecular distribution, followed by the use of vacuum treatment to adjust softening points. Thus, we obtained an experimental quinoline insolubles-free pitch of product yield over 45% with softening points of approximately $130^{\circ}C$. The proposed method shows the possibility to prepare cost-competitive pitch precursors for carbon materials by enhancing product yield and other properties.

Transesterification of DMT with EG in the Presence of Metal Catalyst (금속촉매하 DMT와 EG간 에스테르교환반응)

  • Jung, Byung-Ok;Choi, Young-Ju;Kim, Je-Jung;Chung, Suk-Jin;Park, Sang-Soon;Lee, Gyong-Won
    • Applied Chemistry for Engineering
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    • v.10 no.6
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    • pp.917-922
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    • 1999
  • The transesterification of dimethyl terephthalate(DMT) with ethylene glycol(EG) was kinetically investigated in the temperature range from 190 to $240^{\circ}C$ with and without a zinc acetate(Zn) as a catalyst. The degree of reaction was calculated by the measurement of the quantity of methanol which distilled from the reaction vessel. This distillation made corrections of reactant and catalyst concentrations necessary. The effects of catalyst concentration, molar ratio of DMT and EG, types of metal compounds, and temperature on kinetics were studied. The catalytic activity of various metal compounds was excellent, in order of Ti, Zn, Sn, and Sb. Also the order of activation energy was Zn>Ti>Sn>Sb.

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Comparison of Physicochemical Properties of Starch Phosphates Prepared by Dry Heating and Extrusion Process (건식법과 Extrusion 공정에 의해 제조한 인산전분의 이화학적 성질 비교)

  • Kim, Chong-Tai;Ryu, Gi-Hyung;Kim, Dong-Chul;Kim, Chul-Jin
    • Korean Journal of Food Science and Technology
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    • v.22 no.6
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    • pp.651-658
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    • 1990
  • Starch phosphates were prepared by dry heating, gelatinizing method and extrusion process using sodium tripolyphosphote (STPP) as a substitution reagent and their physicochemical properities were compared. In the preparation of starch phosphate by dry heating method(DSP), the effect of reaction temperature was the most significant to the DS(Degree of substitution). In the phosphorylation reaction with gelatinized starch(GSP), the substitution ratio was increased with increasing the reaction temperature, but the increase was insignificant above $85^{\circ}C$. By extrusion with the corn starch containing 2.0% STPP at various moisture contents of 20, 25 and 30%, the DS values of extrudate(WESP) were within the range of between 0.0066 and 0.0083. The starch phosphate(DSP) products showed lowering the gelatinization temperature, increasing the clarity of the starch paste. However, WESP showed higher gelatinization temperature than that of raw starch. The starch phosphate prepared by extrusion process showed lower apparent viscosity of paste than that of the DSP at same condition. All of starch phosphates showed reducing the tendency of the paste retrogradation.

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A Study on the Environmentally Friendly Water-Soluble Fiber (환경친화적인 수용성 섬유에 관한 연구)

  • Park, Jong-Jin;Gaur, Ankur;Song, Ho-Jun;Yoo, Seung-Kwan;Park, Jin-Won
    • Clean Technology
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    • v.13 no.3
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    • pp.201-207
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    • 2007
  • Carboxymethylcellulose (CMC), which is water-soluble at room temperature, was synthesized from cellulose in this study. Experimental parameters included reaction temperature, time, concentration of NaOH, and monochloroacetic acid (MCA). In mercerization and etherification, solubility and degree of substitution (DS) increased when NaOH (or MCA) concentration increased and maximum solubility and DS were achieved when NaOH or MCA was 30%. The effect of MCA concentrations on the DS was larger than that of the NaOH concentration. Tensile strength of the CMC was decreased by the increases of reaction time, reagent concentration and reaction temperature. Tensile strength also decreased by NaOH and MCA. However, low decrease of tensile strength was observed in near neutral region.

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A study on internal morphological standard in Codonopsis Pilosulae Radix (黨參의 內部構造規格設定에 관한 硏究)

  • Kim, Baek-Cheol;Kang, Kyung-sic;Ju, Young-sung
    • The Journal of Korean Medicine Ophthalmology and Otolaryngology and Dermatology
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    • v.13 no.1
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    • pp.253-266
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    • 2000
  • In order to strengthen objectivity and availability of oriental herb medicine, the standard formula for herbs has been attempted to set up by experimenting and documentary testing original herbs which were recorded in authorized document. The object herb medicine is Codonopsis Pilosulae Radix. The internal and external morphological standard in this study is expected to supply the search for several physiochemical reaction, biological reaction, determination of indicator material and identification of gene with basic sources in the future. The result of study is as follows; In the external shape, it was possible that herbs were distinguished according to artificial classification and that same genus-degree of relatedness among herbs could be distinguished by more precise and active observation. In the shape of real herbs, I compared current herbs in market with original herbs which were just collected or were on the course of drying. In addition, it was possible that the internal shape could be identified by using microscope after butanol series. In powder herbs, it was possible to purify the shape by microscope through maceration of natural and powder herbs. Though it was impossible to make distinction of herbs which are not current in my search contents, this search contents will be a standard for alpplying herbs in the future. Despite such a useful character, it was difficult to deal with power herbs because it was uncertain to make a standard for them on account of the crush of these tissue. Since powders shape of herbs in a few documents were regard not as the powder shapes of natural herbs but as the maceration state of them. It is suggested that we should inspect the original herbs which are not crushed yet with a microscope in order to identify crushed shape of powder herbs from now on. An Additional standard establishment including physiochemical reaction and gene research is required in order to supplement the fault of this search. As for the supplement about this search, considering that many kinds of same genus-degree of relatedness are being current now, it is necessary that each herb should he collected only after identifying and that the succeeding search of each herb should be proceeded for the regular establishment of internal and external standard.

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Characterization of Hyaluronic Acid Membrane Cross-linked with Lactide (락타이드로 가교시킨 히아루론산 막의 특성)

  • Kwon, Ji-Young;Cheong, Seong-Ihl
    • Polymer(Korea)
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    • v.29 no.6
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    • pp.599-604
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    • 2005
  • The hyaluronic acid (HA) with excellent biocompatibility has been combined with lactide, the ester dimer of polylactide, with good biodegradability to produce biocompatible materials which can control the period of degradation in a human body. By freeze frying method, HA and lactide were crosslinked with crosslinking agent, 1-ethyl-3-(3-dimethyl aminopropyl) carbodiimide (EDC). Degree of lactide and EDC reaction was determined by the analysis of nuclear magnetic resonance spectroscopy. Both lactyl group and EDC conversion increased as the mole ratio of lactide to HA increased from 5 to 13. The membrane swelled less and became more brittle with the more addition of lactyl group resulting from the higher mole ratio of lactide to HA. Swelling ratio decreased and tensile modulus increased due to the more addition of lactyl group as the EDC concentration increased or reaction temperature decreased. Drug release experiment from various membranes with different degree of crosslinking showed that permeability decreased with increasing degree of crosslinking. The degradation became slower with the more addition of lactyl group. Mechanical property and degradation rate of the synthesized membrane were shown to be controlled through adjusting operation parameters such as mole ratio, temperature, and crosslinking agent concentration.