• Title/Summary/Keyword: Chemical density

Search Result 3,707, Processing Time 0.032 seconds

Spin Exchange Coupling in Dimethoxo-Bridged Dichromium(III) Complexes: A Density Functional Theory Study

  • Kang, Dae-Bok
    • Bulletin of the Korean Chemical Society
    • /
    • v.29 no.5
    • /
    • pp.963-968
    • /
    • 2008
  • For the [$Cr_2(H_2tmp)_2Cl_4$] compound, simplified models with two bridging methoxo ligands have been studied. The influence of the bridging Cr-O-Cr bond angles on the exchange coupling between metal atoms in the model compound has been analyzed by means of density functional calculations with the broken-symmetry approach. Coupling constant calculated for the full structure is in good agreement with the experimentally reported value, confirming the validity of the computational strategy used in this work to predict the exchange coupling in a family of related dinuclear Cr(III) compounds. The calculations indicate a good correlation between the calculated coupling constant and the sum of the squared energy gap of three pairs of metal $t_{2g}$ OMSOs with a limited variation of the Cr-O-Cr angle. The spin density distribution and the mechanism of magnetic coupling interactions are discussed.

Prediction of MCFC Performance Using Three Dimensional Heat and fluid Flow Analysis with Electrochemical Reaction (전기 화학 반응을 포함한 3차원 열유동 해석을 이용한 용융탄산염 연료전지의 성능예측)

  • Cho H. M.;Lee K. W.;Choi D. H.
    • 한국전산유체공학회:학술대회논문집
    • /
    • 2003.08a
    • /
    • pp.219-224
    • /
    • 2003
  • An analysis procedure for the MCFC channel flow has been developed to predict the fuel cell performance. As for the electrochemical reaction, among several chemical reaction models, one that fits the data best is adopted after a comprehensive comparative study. The Wavier-Stokes, energy, and species equations are solved to obtain the velocity, temperature and concentration fields for a specified average current density. The procedure is iterative as the local current density, or the reaction rate, is allowed to vary with the gas composition. A series of calculations are then carried out to examine the effects of gas flow rate, gas composition, gas usage rate, inlet gas temperature, and average current density on the fuel cell performance. The fuel cell characteristics, such as the temperature, current density distributions, and the concentration fields, for various operating conditions are presented and discussed.

  • PDF

First-Principles Study of the Three Polymorphs of Crystalline 1,1-Diamino-2,2-dinitrotheylene

  • Wu, Qiong;Zhu, Weihua;Xiao, Heming
    • Bulletin of the Korean Chemical Society
    • /
    • v.34 no.8
    • /
    • pp.2281-2285
    • /
    • 2013
  • The electronic structure, optical spectra, and thermodynamic properties of the three FOX-7 polymorphs (${\alpha}$, ${\beta}$, and ${\gamma}$) have been studied systematically using density functional theory. The LDA (CA-PZ) and generalized gradient approximation (GGA) (PW91) functions were used to relax the three FOX-7 phases without any constraint. Their density of states and partial density of states were calculated and analyzed. The band gaps for the three phases were calculated and the sequence of their sensitivity was presented. Their absorption coefficients were computed and compared. The thermodynamic functions including enthalpy (H), entropy (S), free energy (G), and heat capacity ($C_p$) for the three phases were evaluated.

Gigacycle Fatigue Endurance Strength of High Density Mo and Cr-Mo Prealloyed Sintered Steel

  • Xu, Chen;Danninger, Herbert;Khatibi, Golta;Weiss, Brigitte
    • Proceedings of the Korean Powder Metallurgy Institute Conference
    • /
    • 2006.09a
    • /
    • pp.385-386
    • /
    • 2006
  • For attaining optimum fatigue resistance of PM steels, high density levels are necessary. In this work, sintered steels Fe-1.5%Mo-0.6%C and Fe-1.5%Cr-0.2%Mo-0.6%C were produced with density levels of 7.1 to $7.6\;g.cm^{-3}$. Ultrasonic fatigue testing with 20 kHz was performed in push-pull mode up to 10E9 cycles. It was shown that the fatigue endurance strength is strongly improved by higher density levels, but also higher sintering temperatures are beneficial. The Cr-Mo steels proved to be superior to the plain Mo alloyed, due to a more favourable as-sintered matrix microstructure.

  • PDF

Effects of Wet Cupping (Al-Hijamah) on Cholesterol in a Sudanese Population

  • Amna Mohammed Alamin Abbshar;Hafsa Ahmed Elrheima Ahmed
    • Journal of Acupuncture Research
    • /
    • v.40 no.4
    • /
    • pp.351-355
    • /
    • 2023
  • Background: Wet cupping (WC) is an efficient and cost-effective technique for removing metabolic waste from the bloodstream via the skin. The study aimed to examine the effect of WC on cholesterol levels including total cholesterol (TC), high-density lipoprotein cholesterol (HDL-C), and low-density lipoprotein cholesterol (LDL-C) in a Sudanese population. Methods: In this prospective cross-sectional study, 30 participants undergoing regular WC therapy were enrolled. Blood samples collected twice: pre-WC therapy (case group) and 10-14 days afterward (controls). Results: Of the participants, 56.67% were male and 43.33% were female, aged 24-69. Pre-WC TC and LDL-C levels were significantly higher than the post-WC control group (p = 0.001). Conversely, HDL-C levels decreased significantly in the pre-WC cases compared to controls (p = 0.001). No significant sex-based difference in mean cholesterol levels (p > 0.05). Conclusions: After WC, males and females experienced significant reductions in TC and LDL-C, and significant increase in HDL-C.

Preparation and Characterization of Stabilized $ZrO_2$ by Wet Chemical Methods (습식화학 방법에 의한 안정화된 $ZrO_2$의 제조 및 특성에 대한 연구)

  • 전승범;변수일
    • Journal of the Korean Ceramic Society
    • /
    • v.16 no.3
    • /
    • pp.155-163
    • /
    • 1979
  • This study was to explore the characteristics of 6 mole% CaO stabilized $ZrO_2$ prepared by wet chemical methods. The results of the experiments were as follows: 1. The powder calcined at 1000$^{\circ}$-110$0^{\circ}C$ was partly agglomerated. The morphology of agglomerate was spherical of 0.5-1$\mu{m}$ in size for Hot Petroleum Drying Method, chain-like of 1-2$\mu{m}$ for Freeze Drying Method, and irreqular of 2-3$\mu{m}$ for Coprecipitation Method. 2. Optimum calcining conditions for powder prepared by wet chemical methods were found: 110$0^{\circ}C$, 2h in air for Hot Petroleum Drying Method and Freeze Drying Method, and 100$0^{\circ}C$, 2h in air for Coprecipitation Method. 3. When specimen was calcined at 1000$^{\circ}$-110$0^{\circ}C$ in air for 2h and then sintered at 1$600^{\circ}C$ in air for 4h, the specimens prepared by wet chemical methods showed a high sintered density (94% of theoretical density) and a low open porosity (<0.8%); however, the sintered density of the specimen prepared by Oxide Wet Mixing Method was 90%. 4. The amount of cubic phase of sintered body prepared by wet chemical methods was observed to be higher than the one prepared by Oxide Wet Mixing Method. 5. It was found that Hot petroleum Drying Method, Freeze Drying Method and Coprecipitation Method were nearly the same in respect of the results of stabilization grade and sintered density of CaO-stabilized $ZrO_2$.

  • PDF

Correlations among Shearing Force, Morphological Characteristic, Chemical Composition, and In situ Digestibility of Alfalfa (Medicago sativa L) Stem

  • Liu, L.;Yang, Z.B.;Yang, W.R.;Jiang, S.Z.;Zhang, G.G.
    • Asian-Australasian Journal of Animal Sciences
    • /
    • v.22 no.4
    • /
    • pp.520-527
    • /
    • 2009
  • Alfalfa (Medicago sativa L) is a high-quality forage for ruminants and the main stem is the dominant morphological component contributing to the forage nutritive value in mature alfalfa forage. Shearing force, a fracturing property of plant stem, is an important indictor of forage value. The objectives of this study were to investigate the effects of morphological characteristic on shearing force, the relationship between shearing force and chemical composition, and the relationship between shearing force and in situ digestibility of alfalfa stem. The results showed that linear density (weight per unit length of stem) was more important than chemical composition in affecting shearing force. There was a positive relationship between lignin content and shearing force (r = 0.78). Correlations were not found between shearing force and other chemical components such as neutral detergent fiber (NDF), acid detergent fiber (ADF), cellulose and hemicelluloses. In situ digestibility (of dry matter and NDF) was related to shearing force. A negative correlation was found between shearing force and dry matter (DM) digestibility (r = -0.70), and there was also a negative correlation between shearing force and NDF digestibility (r = -0.87). When shearing force was standardized for stem diameter or stem linear density, the relationship between shearing force and digestibility was consistent regardless of stem diameter and stem linear density. Shearing force was significantly correlated with lignin content and in situ digestibility (of DM and NDF), and was a more direct indicator for estimating forage nutritive value related to animal performance, so it can be used to predict the forage value of alfalfa.

Thermal Behavior and Physical Properties of Low Density Polyethylene/Metallocene Linear Low Density Polyethylene Blends (저밀도 폴리에틸렌/메탈로센 선형 저밀도 폴리에틸렌 블렌드의 열적 거동 및 물성)

  • Kim, Jang-Yup;Hyun, Uk;Lee, Dong-Ho;Noh, Seok-Kyun;Lee, Sang-Won;Huh, Wan-Soo
    • Polymer(Korea)
    • /
    • v.27 no.5
    • /
    • pp.502-507
    • /
    • 2003
  • The thermal and physical properties of low density polyethylene melt-blended with Metallocene linear low density polyethylenes were investigated. Since the Metallocene polyethylenes have similar MW and MWD except m-LLDPE4, it can be said that the thermal behavior and mechanical properties of the blends depend upon the l-octene comonomer content. The melting behavior of LDPE/m-LLDPE1 blends shows two melting peaks with LDPE contents higher than 50%, while the other blends show only one melting peak. It was observed that the blends show higher crystallization temperature and higher crystallinity with lower comonomer content. Initial modulus of a blend exhibited the behavior proportional to the crystallinity and the elongation at break of the blends was increased with increasing the m-LLDPE composition. Melt indices of the blends decreased with increasing the comonomer content of Metallocene LLDPE. Melt Index values of the blends show negative deviation.

Optical and Electrical Characteristics of Fluorocarbon Films Deposited in a High-Density C4F8 Plasma (고밀도 C4F8 플라즈마에서 증착된 불화탄소막의 광학적 및 전기적 특성)

  • Kwon, Hyeokkyu;You, Sanghyun;Kim, Jun-Hyun;Kim, Chang-Koo
    • Korean Chemical Engineering Research
    • /
    • v.59 no.2
    • /
    • pp.254-259
    • /
    • 2021
  • Optical and electrical characteristics of the fluorocarbon films deposited in a high-density C4F8 plasma under various source powers and pressures were investigated. The F/C ratio of the fluorocarbon film deposited in a high-density C4F8 plasma increased with increasing source power and decreasing pressure due to two-step deposition mechanism. The change in the F/C ratio of the film directly affected the optical and electrical characteristics of the fluorocarbon films deposited in a high-density C4F8 plasma. The refractive index of the fluorocarbon film increased with decreasing source power and increasing pressure contrary to the dependence of the film's F/C ratio on the source power and pressure. This was because the increase in the F/C ratio suppressed electronic polarization and weakened the network structures of the film. The resistivity of the fluorocarbon film showed the same behavior as its F/C ratio. In other words, the resistivity increased with increasing source power and decreasing pressure, resulting from stronger repellence of electrons at higher F/C ratios. This work offers the feasibility of the use of the fluorocarbon films deposited in a high-density C4F8 plasma as an alternative to low dielectric constant materials because the optical and electrical properties of the fluorocarbon film can be directly controlled by its F/C ratio.

Effect of Co-agent on Cure, Mechanical Properties of NBR Compounds in Peroxide System

  • Seo, Eun Ho;Kim, Gi Hong;Kim, Do Young;Lee, Dong Won;Seo, Kwan Ho
    • Elastomers and Composites
    • /
    • v.52 no.3
    • /
    • pp.187-193
    • /
    • 2017
  • In this study, the effect of the cure, mechanical properties, and oil resistance of NBR (acrylonitrile-butadiene rubber)/peroxide compounds were investigated for various co-agents. NBR compounds were characterized using a swelling test, a rheometer (MDR), and a compression set test. Mechanical properties were tested with original compounds, heated in air and exposed to the ASTM No.1, IRM 903 oil. NBR compounds were prepared using peroxide as the crosslinking agent. Trimethylolpropane trimethacrylate (TMPTMA), triallyl isocyanurate (TAIC), and 1,2-polybutadiene (HVPBD) were used as co-agents. The NBR compounds containing TMPTMA and HVPBD lowered the scorch time, while the addition of TAIC did not significantly change the scorch time. NBR compounds containing TMPTMA increased the crosslinking density, while the addition of TAIC and HVPBD lowered the crosslinking density. Moreover, the addition of TMPTMA improved the oil resistance of the NBR compound.