• 제목/요약/키워드: Chemical nature

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Decoupling of Background and Resonance Scatterings in Multichannel Quantum Defect Theory and Extraction of Dynamic Parameters from Lu-Fano Plot

  • Lee, Chun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.30 no.4
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    • pp.891-896
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    • 2009
  • Giusti-Suzor and Fano introduced translations of the scales of Lu-Fano plots by phase renormalization in order to decouple the intra- and inter-channel couplings in multichannel quantum defect theory (MQDT). Their theory was further developed by others to deal with systems involving a larger number of channels. In different directions, MQDT was reformulated into forms with a one-to-one correspondence to those in Fano's configuration mixing theory of resonance for photofragmentation processes involving one closed and many open channels. In this study, the theory was further developed to fully reveal the coupling nature, decoupling of the background and resonance scattering in physical scattering matrices as well as to further extract the dynamic parameters undiscovered by Fano and his colleagues. This theory was applied to the photoabsorption spectrum of $H_2$ observed by Herzberg's group.

Synergistic Effect on Corrosion Inhibiton Efficiency of Ginger Affinale Extract in Controlling Corrosion of Mild Steel in Acid Medium

  • Subramanian, Ananth Kumar;Arumugam, Sankar;Mallaiya, Kumaravel;Subramaniam, Rameshkumar
    • Journal of the Korean Chemical Society
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    • v.57 no.6
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    • pp.672-676
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    • 2013
  • The corrosion inhibition nature of Ginger affinale extract for the corrosion of mild steel in 0.5N $H_2SO_4$ was investigated using weight loss, electrochemical impedance and potentiodynamic polarization methods. The results revealed that Ginger affinale extract acts as a good corrosion inhibitor in 0.5N $H_2SO_4$ medium. The inhibition efficiency increased with an increase in inhibitor concentration. The inhibition could be attributed to the adsorption of the inhibitor on the steel surface.

Bonding and Antibonding Regions (I) (결합공간과 반결합공간 (제1보))

  • Kim Hojing;Lee Duckhwan
    • Journal of the Korean Chemical Society
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    • v.23 no.1
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    • pp.15-19
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    • 1979
  • The new concept of the Bonding and Antibonding Regions in the transition density space is developed from the Integral Hellmann-Feynman Theorem and the positive definiteness of the transition density. The unility of this concept is fully demonstrated for H2 system. It is expected that the nature of the electronic perturbation energy due to the change of nuclear configuration can be successfully understood by using this concept. Properties of the transition density is briefly discussed.

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Electrolytic Conductance Measurement using Four-Electrode Cell and Potentiometric Circuit (포텐티오메트릭 4-전극 용기에 의한 전도도 측정)

  • Jung-Kyoon Chon;Woon-kie Paik
    • Journal of the Korean Chemical Society
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    • v.20 no.2
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    • pp.129-135
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    • 1976
  • A direct-reading conductance measuring system using a potentiostatic circuit and a four-electrode conductance cell was devised. The difficulties with the traditional method of using the Wheatston bridge and a two-electrode cell due to the complicated nature of the electrochemical system, the double layer capacitance and the Faradaic impedance at the electrodes, etc., could be avoided in this method. The devised instrument proved to be convenient and suitable for precise measurements. The results of measured conductivities of KCl and HCl solutions are reported.

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Conversion of Penicillin to Cephalosporin. The Iodination of Thiazoline-azetidinone in the Presence of Water (페니실린에서 세파로스포린으로의 전환. 물 존재하에서 티아졸린-아제티디논의 요오드화 반응)

  • Choe, In Yeong;Jeong, Gyu Hyeon;Lee, Yun Yeong;Gu, Yang Mo
    • Journal of the Korean Chemical Society
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    • v.34 no.1
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    • pp.102-107
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    • 1990
  • The reaction of thiazoline-azetidinone (7) with $I_2$ in $CH_2Cl_2-H_2O$ gave directly 3-iodo-3-methylcepham (4). A phase transfer catalyst considerably increased the reaction rate. Similar to the hydrolysis of thiazoline-azetidinone (7) under a weak acidic condition, thiazole (10) was given as major product in the treatment with 0.1 eq. of iodine. The difference between cyclization reaction and hydrolysis could be explained in terms of solvents, the amount of iodine and the nature of thiazoline-azetidinones (7).

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CoMFA and CoMSIA on the Neuroblocking Activity of 1-(6-Chloro-3-pyridylmethyl)-2-nitroiminoimidazolidine Analogues

  • Sung, Nack-Do;Jang, Seok-Chan;Choi, Kyoung-Seop
    • Bulletin of the Korean Chemical Society
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    • v.27 no.11
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    • pp.1741-1746
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    • 2006
  • 3D-QSARs on the neuroblocking activities by 1-(6-chloro-3-pyridylmethyl)-2-nitroiminoimidazolidine analogues as agonist at the nicotinic acetylcholine receptor (nAChR) were studied quantitatively using CoMFA and CoMSIA methodologies. The statistical results of CoMFA (A5: $r^2\;_{cv.}\;=\;0.707\;&\;r^2\;_{ncv.}$= 0.986) and CoMSIA model (A3: $r^2\;_{cv.}$ = 0.715 & $r^2\;_{ncv.}$ = 0.961) showed the best predictability and fitness for neuroblocking activity based on the cross-validated value and non-cross validated value. The steric and H-bond acceptor nature of a compound were essential for high activity. The study on 3D-QSARs between substrate molecules and their neuroblocking activities appears to be an useful approach for designing better neuroblocking drug development.

Physical and chemical Cross-Linking Effects in Thermoplastic Polyurethane Elastomers with Different Macroglycol

  • Heo, Jae-Ho;Jeong, Du-Gam;Kim, Eun-Young;Kim, Han-Do
    • Proceedings of the Korean Fiber Society Conference
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    • 1997.10a
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    • pp.126-130
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    • 1997
  • A series of Thermoplastic polyurethane elastomers was prepared via a two-step polymerization process. The NCO/OH feed ratio of polyurethane synthesized in this study was varied from 1 to 1.3. Studies have been made on the effects of chemical and physical cross-linkina, and the properties of thermoplastic polyurethane elastomers based on isophorone diisocyanate (IPDI)/1,4-butanediol (BD)/poly(propylene glycol) (PPG, MW:2000), isophorone diisocyanate (IPDI)/BD /poly(oxytetramethylene) glycol (PTMG, MW:2000) was compared. These materials were characterized using FTIR spectrometer, dynamic mechanical thermal analyzer, and tensile retraction tester. PTMG based polyurethane elastomers showed higher elasomeric behavior than PPG based polyurethane elastomers at the same NCO/OH ratio. This feature has been connected with the specific nature of the polyols. The permanent set(%) was decreased with increasing maximum elongation from 50% to 300%.

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Liquid Phase Deposition of Transition Metal Ferrite Thin Films: Synthesis and Magnetic Properties

  • Caruntu Gabriel;O'Connor Charles J.
    • Journal of the Korean Ceramic Society
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    • v.43 no.11 s.294
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    • pp.703-709
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    • 2006
  • We report on the synthesis of highly uniform, single phase zinc and cobalt thin films prepared by the Liquid Phase Deposition (LPD) method. X-Ray diffraction, TGA and EDX measurements support the assumption that the as deposited films are constituted by a mixture of crystallized FeOOH and amorphous M(OH)$_2$ (M=Co, Zn) which is converted upon heat treatment in air at 600?C into the corresponding zinc ferrites. The films with adjustable chemical compositions are identified with a crystal structure as spinel-type and present a spherical or rod-like microstructure, depending on the both the nature and concentration of the divalent transition metal ions. Zinc ferrite thin films present a superparamagnetic behavior above blocking temperatures which decrease with increasing the Zn content and are ferromagnetic at 5 K with coercivities ranging between 797.8 and 948.5 Oe, whereas the cobalt ferrite films are ferromagnetic at room temperature with magnetic characteristics strongly dependent on the chemical composition.

유기물 분리용 투과증발막

  • 박현채
    • Proceedings of the Membrane Society of Korea Conference
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    • 1996.03a
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    • pp.69-90
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    • 1996
  • In the chemical industry, in the pharmaceutical industry, and in a number of other industries separation processes are necessary to separate and purify products and raw materials [1,2]. Separation processes are also widely used in other applications such as in recycling valuable materials from waste streams. Unit operations for separation processes can be classified in phase separation techniques and component separation techniques based on the nature of the feed mixtures to be separated. The former techniques are used for the separation of heterogeneous mixtures, in which the feed is already present in two or more separated phases on a micro-scale. The latter are suitable for the separation of homogeneous mixtures such as gaseous mixtures and mixtures of completely miscible liquids. tn these cases the separation into individual components is generally achieved by utilizing the differences in physico-chemical properties of components, and is much more difficult compared to phase separation techniques. Separation processes such as distillation, evaporation, liquid-liquid extraction, and crystallization belong to this class.

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TRIBOCHEMICAL ACTIVITY OF NASCENT METAL SURFACES

  • Mori, Shigeyuki
    • Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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    • 2000.11a
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    • pp.3-8
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    • 2000
  • Chemical nature of nascent metal surfaces which is one of the important active sources for tribochemical reactions was investigated using a newly developed method. Some enhanced activities were observed. For example, organic compounds chemisorbed on nascent gold surfaces and aromatic compounds decomposed on nascent nickel surfaces resulting in hydrogen evolution. Non-polar compounds such as organic sulfides had a higher chemisorption activity on nascent steel surfaces than polar compounds such as fatty acids and phosphates. Organic sulfides reacted directly with nascent steel surfaces and the surface was covered with metal sulfides. The activity for the chemisorption of organic compounds was closely dependent on the electronic structure of metals. Although benzene chemisorbed very easily on nascent surfaces of transition metals, it did not chemisorb ell nascent surfaces of simple metals. Boundary lubricating behaviors of extreme pressure additives were explained on the bases of the chemical activities of nascent surfaces obtained in this investigation. Under mild conditions, polar compounds such as fatty acids and phosphates were effective for boundary lubrication, because surfaces are covered with oxide layers. On the other hand, sulfides were more effective under severe conditions where the oxide layers were removed and the nascent surfaces were formed.

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