• 제목/요약/키워드: additivity rule

검색결과 20건 처리시간 0.027초

13C-NMR에 의해 결정된 탄소 유형별 구조적 조성으로부터 디이젤 연료의 세탄가의 예측에 관한 연구 (A Study on the Prediction of the Cetane Number of Diesel Fuels from the Carbon Types Structural Compositions by 13C-Nuclear Magnetic Resonance Spectroscopy)

  • 최주한;전용진;최웅수;최영상;권오관
    • 공업화학
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    • 제4권4호
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    • pp.709-714
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    • 1993
  • 세탄가는 디이젤 연료의 점화 특성, 특히 점화 지연의 측정인 동시에 동력학적 현상의 엔진측정값이다. 이러한 동력학적인 행동인 연료의 점화특성과 그 분자구조 즉 탄소 유형별 구조적 조성 사이에는 관련이 있다. 분자구조를 세부적으로 평가하고 세탄가를 예측하는데는 Group Additivity Rule이 사용된다. 본 연구에서는 표준 세탄 평가 엔진으로 세탄가들이 측정된 디이젤 연료들에 대하여 분자구조 측정방법 중 하나인 $^{13}C-NMR$ 분광법과 Group Additivity Rule을 사용하여 세탄가를 연료의 탄소 유형별 구조적 조성과 관련시켜 예측하고 세탄가에 대한 이들 분자구조의 영향에 관하여 고찰하였다.

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사상열간압연중 재결정거동 예측 및 제어 (Prediction and Optimization of Recrystallization behavior during Multi-stage Hot Rolling)

  • 곽우진;이경종;권오준;황상무
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 1997년도 춘계학술대회논문집
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    • pp.287-290
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    • 1997
  • 각 스탠드 유한요소해석 결과인 기계적-열적 변수들을 이용하여 재결정계산을 한다. 이때 온도변화를 정확히 반영하기 위해 재결정부피율 계산과 결정성장 계산에 additivity rule을 도입하였다. 또한 여러단계의 압연공정 각각에서의 재결정거동을 계속 추적하기 위해 또한 이때의 재결정의 영향을 재료유동에 반영하기 위해 substructure의 개념을 도입하였다. 이러한 과정을 거쳐 7패스후의 최종 두께방향으로의 결정크기분포를 얻을 수 있다. 본 연구 에서는 이때의 최종결정크기 분포를 균일화 시킬 수 있는 공정을 유전 알고리즘을 이용하여 찾아보았다.

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[$^{13}C-NMR$ of the Phenolic Compounds

  • Ahn, Byung-Zun
    • 생약학회지
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    • 제11권3_4호통권43호
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    • pp.153-162
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    • 1980
  • 1) The hydroxy-substitution in the simple phenolic compounds follows an additivity rule in the chemical shifts of their aromatic carbon atoms. In para-and ortho-effects is a good agreement between calculated and measured values, but the meta-effect is not certain. 2) The additivity rule was applied to assign the chemical shifts of catechins. 3) The nuclear overhauser effect was applied to assign the chemical shifts of C-8 and C-6 atoms of catechins and their polymer. The signal of C-8 is lower in intensity and appear in lower field than C-6. 4) The results of the NOE were applied to determine the bonding positions of catechin units in the catechin dimer and trimer. The bonding positions are C-8a and C-8b atoms of the second and third catechin units. 5) It was tried to determine the conformation of the catechin dimer and trimer by analysing the signal shapes of C-3' and C-4' atoms in the catechol moieties. The catechol moieties lie in opposite side in the dimer and trimer structure. A combined analysis of $^{13}C-and\;^1H-NMR$ results lead to the suggestion that such a catechin polymer is a zigzag planar form.

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S20C강 저속 라운드-모발 압연의 AGS 분포 (AGS Distribution in Low-Speed Round-Oval Rolling of S20C Steel)

  • 권혁철;이호원;이영석;임용택
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 2004년도 제5회 압연심포지엄 신 시장 개척을 위한 압연기술
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    • pp.297-306
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    • 2004
  • This study investigated Austenite Grain Size (AGS) distribution in Low-Speed Round-Oval Rolling. Rolling experiments were done along with the AGS numerical modeling to characterize the final AGS distribution and its kinetics behavior. For bar rolling experiment, we utilized the pilot rolling mill, operating at 34 fixed rpm, at POSCO Technical Research Laboratories. To investigate the microstructural observation, the rigid-viscoplastic finite element analysis was combined with Hodgson's AGS evolution model. To consider the transient thermal history in the integrative AGS modeling, additivity rule was introduced. The integrated analysis revealed that static or meta-dynamic recrystallization is responsible for the AGS difference in the inner or outer region of rolled bar. Comparative study showed that the current AGS modeling approach can be used to model the overall AGS distribution in bar rolling processes. For more accurate AGS prediction, the AGS modeling method should be verified under the various rolling conditions such as different rolling speeds and different deformations.

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이온 분극률과 결정구조에 따른 Aluminum Magnesium Tantalate 고용체의 마이크로파 유전특성 (Microwave Dielectric Characteristics of Aluminum Magnesium Tantalate Solid Solutions with Variations of Ionic Polarizability and Crystal Structure)

  • 최지원;하종윤;강종윤;윤석진;윤기현;김현재
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2002년도 하계학술대회 논문집
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    • pp.119-122
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    • 2002
  • The calculated and measured dielectric constant of (1-x)(Al$\sub$1/2/Ta$\sub$1/2/)O$_2$-x(Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$(O$\leq$x$\leq$1.0) solid solutions were investigated by variations of ionic polarizability and crystal structure. (Al$\sub$1/2/Ta$\sub$1/2/)O$_2$ and (Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$were orthorhombic and tetragonal trirutile structure, respectively. When (Al$\sub$1/2/Ta$\sub$1/2/)O$_2$ was substituted by (Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$, the phase transformed to tetragonal structure over 60 mole%. Because the ionic radius of (Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$was slightly bigger than one of (A1$\sub$1/2/Ta$\sub$1/2)O$_2$, the cell parameters increased with an increase of (Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$ substitution. The measured dielectric constant increased with an increase of (Mg$\sub$1/3/Ta$\sub$2/3/)O$_2$ substitution and coincided with dielectric mixing rule and the calculated dielectric constant with the molecular additivity rule. There were some differences between the measured and the calculated dielectric constant. The reason of the lowered dielectric constant comparing with the calculated one was compressed stress due to the electronic structure of tantalum.

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결정구조와 이온 분극률에 따른 (Al,Mg,Ta)O2고용체의 마이크로파 유전상수 특성 (Microwave Dielectric constant characteristics or (Al,Mg,Ta)O2 Solid Solutions with Crystal Structure and Ionic Polarizability)

  • 최지원;하종윤;안병국;박용욱;윤석진;김현재
    • 한국전기전자재료학회논문지
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    • 제16권2호
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    • pp.108-112
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    • 2003
  • The calculated and measured dielectric constants of (1-x)(A $l_{1}$2/ T $a_{1}$2/) $O_2$-x(M $g_{1}$3/ T $a_{2}$3/) $O_2$ (0$\leq$x$\leq$1.0) solid solutions were investigated by variations of ionic polarizability and crystal structure. (A $l_{1}$2/ T $a_{1}$2/) $O_2$ and (M $g_{1}$3/ T $a_{2}$3/) $O_2$ were orthorhombic and tetragonal trirutile structure, respectively. When (A $l_{1}$2/ T $a_{1}$2/) $O_2$ was substituted by (M $g_{1}$3/ T $a_{2}$3/) $O_2$, the phase transformed to tetragonal structure over 60 mole. Because the total ionic radius of [(Mg+2Ta)/3]$^{4+}$ was slightly bigger than one of [(Al+Ta)/2]$^{4+}$, the lattice parameters increased with an increase of (M $g_{1}$3/ T $a_{2}$3/) $O_2$ substitution. The measured dielectric constant increased with an increase of (M $g_{1}$3/ T $a_{2}$3/) $O_2$ substitution and coincided with dielectric mixing rule and the calculated dielectric constant with the molecular additivity rule. There were some differences between the measured and the calculated dielectric constant. The reason of the lowered dielectric constant comparing with the calculated one was compressed stress due to the electronic structure of tantalum.

Blends containing two thermotropic liquid crystalline polymers: Effects of transesterification on miscibility and rheology

  • Hsieh, Tsung-Tang;Carlos Tiu;Hsieh, Kuo-Huang;George P. Simon
    • Korea-Australia Rheology Journal
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    • 제11권3호
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    • pp.255-263
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    • 1999
  • Blends of two thermotropic liquid crystalline polymers, HX2000 and Vectra A950, were prepared by melt blending. Effects of transesterification on these blends are investigated by comparing properties of the blends with and without the addition of an inhibitor, in terms of blend miscibility and rheology. Both the uninhibited and inhibited blends are found to be largely immiscible with very limited miscibility in HX2000-rich phase. No strong evidence indicates the occurrence of transesterification in the blends in the solid state. Dynamic rheological behaviour, such as shear storage modulus (G') and shear loss modulus (G") as a function of frequency, of the blends are interpreted by a three-zone model. HX2000 shows terminal-zone and plateau-zone behaviour, whilst Vectra A950 shows plateau-zone and transition-zone behaviour. The un- inhibited blends show plateau-zone behaviour up to 50% Vectra A950 content and the inhibited blends show plateau-zone behaviour up to 60% Vectra A950 content. Compositional dependence of the complex viscosities of the uninhibited and inhibited blends displayed positive deviations from additivity, which is a characteristic feature for the immiscible thermoplastic blends. When under steady shear, both the uninhibited and inhibited blends show shear thinning behaviour and their viscosities decrease monotonically with the addition of Vectra A950. Compositional dependence of the steady shear viscosities of the two sets of blends displayed negative deviations from additivity and the uninhibited blends were more viscous than the inhibited blends for the full composition range. Although limited agreement with the Cox-Merz rule is found for the inhibited blends, these two sets of blends, in general, do not follow the rule due to their liquid crystalline order and two-phase morphology. Despite being immiscible blends, transesterification, such as polymerization, in the blends might occur during the rheological characterization, supported by the facts that uninhibited blends show HX2000-dominant behaviour at lower Vectra A950 content and are more viscous than the inhibited blends. The addition of transesterification inhibitor in such blends is advised if only physical mixing is desired.ired.

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폐폴리(염화 비닐)계 고분자 블렌드의 구조 및 물성 연구(II)-폐폴리(염화 비닐)/폴리에틸렌 고분자 블렌드의 형태학 및 유변학적 거동 (Morphology and Mechanical Properties of Waste PVC Blends (II)- The Relationship between Rheology and Morphology of Waste PVC/PE Blends)

  • 유영재;박재찬;원종찬;최길영;이재흥
    • 폴리머
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    • 제28권6호
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    • pp.460-467
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    • 2004
  • 폐폴리(염화 비닐) 수지 [waste poly(vinyl chloride), RPVC]와 폐폴리에틸렌 수지 (waste polyethylene, RPE)를 용융 블렌드하여 이들의 형태학적 특성과 유변학적 성질을 관찰하였다. 대수 가감 법칙 (Log additivity rule)으로 계산된 값과 측정된 토크 변화를 비교해보면, 고분자 블렌드는 서로 비상용성을 나타내는 음의 편차 거동을 보였다. 평형판 레오미터와 모세관 레오미터를 사용하여 측정한 블렌드의 유변학적 성질은 용융 상태에서 전단 속도가 증가함에 따라 전단 점도가 감소하는 경향을 보였다. RPVC/RPE 블렌드에 상용화제를 첨가하면 단순 블렌드보다 전단 점도가 증가하였으며 이는 상용성이 증가하여 분산상 크기가 감소하는 것을 확인하였다. 전단 점도 측정 후 얻은 시료를 전자 현미경으로 관찰해 보면 전단속도가 증가함에 따라 분산상의 크기가 약간씩 커지는 것이 관찰되었고 또한, 시료의 표면층보다 내부의 분산상이 커지는 것이 관찰되었다.

Thermal Decomposition Characteristics of Ethyl Methacrylate and Styrene Copolymer

  • Kwon, Jae Beom;Lee, Nae Woo;Kim, Nam Seok;Park, Keun Hok;Seul, Soo Duk
    • International Journal of Safety
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    • 제2권1호
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    • pp.28-33
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    • 2003
  • Thermal decomposition characteristics of ethyl methacrylate (EMA) and Styrene (St.) copolymer was investigated with synthesis at 8$0^{\circ}C$ in a continuous stirred tank reacto (CSTR) using toluene and benzoyl peroxide(BPO) as solvent and initiator, respectively. The thermal decomposition was considered to be side scission at below 30$0^{\circ}C$ and estimated 2nd-order reaction kinetics of EMA/St. copolymer. The activation energies of decomposition on this copolymers were in the ranges of 38-43 kcal/mol for EMA/St. and a good additivity rule was observed in each composition. The thermogravimetric trace curves agreed well with the theoretical calculation.

Thermal Decomposition of Copolymers of Butyl methacrylate and Styrene Produced in a CSTR

  • Kim, Duck-Sool;Kim, Nam-Seok;Park, Keun-Ho
    • 한국응용과학기술학회지
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    • 제19권4호
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    • pp.273-280
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    • 2002
  • Thermal decomposition of the copolymer of butyl methacylate(BMA) with styrene(St) was investigated. The copolymer Was obtained at 80 $^{\circ}C$ in a continuous stirred tank reactor(CSTR) using toluene and benzoyl peroxide(BPO), as solvent and initiator, respectively. The reactor volume was 0.3 liters and residence time was 3 hours. The thermal decomposition followed the second order kinetics for BMA/St copolymer. The activation energies of thermal decompositon were in the ranges of 38 ${\sim}43$ kcal/mol for BMA with St copolymer and a good additivity rule was observed with the composition of copolymer. The thermogravimetric trace curve agreed well with the theoretical calculation.