• Title/Summary/Keyword: chemical mechanism

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An advanced single-particle model for C3S hydration - validating the statistical independence of model parameters

  • Biernacki, Joseph J.;Gottapu, Manohar
    • Computers and Concrete
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    • v.15 no.6
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    • pp.989-999
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    • 2015
  • An advanced continuum-based multi-physical single particle model was recently introduce for the hydration of tricalcium silicate ($C_3S$). In this model, the dissolution and the precipitation events are modeled as two different yet simultaneous chemical reactions. Product precipitation involves a nucleation and growth mechanism wherein nucleation is assumed to happen only at the surface of the unreacted core and product growth is characterized via a two-step densification mechanism having rapid growth of a low density initial product followed by slow densification. Although this modeling strategy has been shown to nicely mimic all stages of $C_3S$ hydration - dissolution, dormancy (induction), the onset of rapid hydration, the transition to slow hydration and prolonged reaction - the major criticism is that many adjustable parameters are required. If formulated correctly, however, the model parameters are shown here to be statistically independent and significant.

Benzoic Acid Derivatives I, The Kinetics and Mechanism of the Nucleopilic Addition of Thiourea to Nitrone Derivatives (벤조산유도체 I, Nitrone 유도체에 대한 Thiourea의 친핵성 첨가반응메카니즘과 그 반응속도론적 연구)

  • Kim, Dong-Hwan;Lee, Ki-Chang;Ryu, Jung-Wook;Choi, Bong-Jong
    • Journal of the Korean Applied Science and Technology
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    • v.8 no.1
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    • pp.21-26
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    • 1991
  • The rate constants for the addition reaction of thiourea to nitrone derivatives were determind at various pH and reaction rate equation which could be applied over a wide pH were obtained. The substituent effects and general base catalysis for the addition of thiourea to nitrone derivatives were observed. On the basis of these findings, a plausible reaction mechanism for the nucleophilic addition of thiourea to nitrone was proposed.

The Mechanism of Thermoregulatory Action of Capsaicin Is Different from That of Its Antinociceptive Effect in Guinea Pig

  • Yi-Sook JUNG;Tai-Soon CHO;Shin, Hwa-Sup
    • Biomolecules & Therapeutics
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    • v.5 no.2
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    • pp.211-214
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    • 1997
  • In the present study, we investigated the mechanisms of antinociceptive effect and thermoregulatory action of capsaicin in guinea pigs. The administration of capsaicin (5 mg/kg, s.c.) caused a significant decrease in frequency of eye wiping, an indicative of nociceptive threshold. This antinociceptive effect of calsaicin was abolished by co-administration of capsazepine (30 mg/kg, s.c.) with capsaicin, suggesting the involvement of a vanilloid receptor in the antinociceptive action of capsaicin. The administration of capsaicin (1 mg/kg, s.c.) produced a significant decrease in body temperature of guinea pigs. The maximum decrease in body temperature by 2 degrees was shown 1 hour after the treatment, and this decrease was not reversed by coadministration of capsazepine. In conclusion, it is suggested that the mechanism of action of capsaicin-induced thermoregulation involves different pathways from that of capsaicin-induced antinociception.

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Mechanism of Alcohol Decrease by Acid Hydrolsis of Hovenia dulcis Extract

  • Kang, Sung-Hee;Kim, Sung-Mun;Kim, Jin-Hyun
    • 한국생물공학회:학술대회논문집
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    • 2005.10a
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    • pp.530-534
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    • 2005
  • This work was a method that used an acid hydrolysis for increasing the efficacy of decreasing alcohol concentration from Hovenia dulcis extract. The best pH was 2.0 to obtain a maximum alcohol dehydrogenase activity at fixed reaction temperature and time. At pH 2.0, reaction temperature $80^{\circ}C$ and reaction time 4hr gave the highest activity which was 124% of control. The bioactive compound, (+)-dihydromyricetin, content increased to 30% after acid hydrolysis. This is very simple and efficient method to increase the efficacy of decreasing alcohol concentration from Hovenia dulcis extract. The mechanism that increase the efficiency of alcohol decrease be examined through hydrolysis.

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Mechanism of Clonidine Permeation through Skin Based on Heterogeneous Structure (이형질적 이중구조로 분석한 피부에서의 클로니딘 투과기전)

  • Byun, Young-Ro;Kim, Young-Ha;Jeong, Seo-Young
    • Journal of Pharmaceutical Investigation
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    • v.19 no.1
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    • pp.39-46
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    • 1989
  • The clonidine transport mechanism through the skin was investigated with assumptions that epidermis is heterogeneous and two-layer membrane. Immobilization of clonidine was not found in stratum corneum but in viable epidermis. The sorption in the viable epidermis agreed with the dual sorption theory. Diffusion coefficient in stratum corneum was five order magnitude less than that in viable epidermis. In viable epidermis, the ratio of true diffusivity to apparent diffusivity increased initially then decreased as a function of clonidine concentration, and the true diffusivity was always larger than the apparent diffusivity.

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Characteristics of the Ignition Delay for Hydrocarbon Fuels by Reduced Chemical Kinetics Modeling (축소 화학반응 모델링에 의한 탄화수소 연료의 점화지연 특성)

  • 김형욱;배상수;민경덕
    • Transactions of the Korean Society of Automotive Engineers
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    • v.9 no.4
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    • pp.44-49
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    • 2001
  • Reduced chemical kinetics mechanism has been derived, which can be applicable for autoignition model of hydrocarbon fuels, and contains 23 reactions and 18 species. The present model is validated with the experimental data, where the ignition delays of several hydrocarbon fuels, such as n-heptane, i-octane, n-decane and DME(dimethylether) are measured as equivalence ratios are varied. Especially, the effects of different fuels on ignition delays can be explained by changing the rate constants of three reactions among the present model. As a result, the proposed model can be applicable to two stage ignition model of Diesel combustion.

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The Kinetic Study of Propylene Sulfide Polymerization Initiated by o-Sulfobenzoic Anhydride (Propylene Sulfide를 o-Sulfobenzoic Anhydride 개시제로 중합시킬 때 반응속도의 연구)

  • Man Jung Han
    • Journal of the Korean Chemical Society
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    • v.22 no.4
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    • pp.268-274
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    • 1978
  • The kinetics of the bulk polymerization of propylene sulfide initiated by o-sulfobenzoic anhydride were investigated, which proceeded by a zwitterionic mechanism.The instantaneous concentrations of monomer and initiator were determined by means of ir-and nmr-spectroscopy. The rate constant of propagation was found to be about three order of magnitude higher than that of initiation and this should be caused by a zwitterion mechanism.

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Application of Pseudo Molecular Complexes (II). A New Mechanism for Aromatic Substitution (유사분자 착물의 응용 (제 2 보). 새로운 방향족 치환반응 기구)

  • Park Byung-Kak
    • Journal of the Korean Chemical Society
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    • v.19 no.3
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    • pp.179-185
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    • 1975
  • A new mechanism is proposed for aromatic substitution, involving the formation of pseudo molecular complexes at the transition state. It accounts for the addition reactions of aromatic compounds with double bond reagents such as ozone, somium tetraoxide and carbene as well as all of the features of electrophilic substitution reactions. The pseudo molecular complex has been proved to be formed by quantum-chemical considerations using the simple Huckel method.

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Morphologically Controlled Growth of Aluminum Nitride Nanostructures by the Carbothermal Reduction and Nitridation Method

  • Jung, Woo-Sik
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1563-1566
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    • 2009
  • One-dimensional aluminum nitride (AlN) nanostructures were synthesized by calcining an Al(OH)(succinate) complex, which contained a very small amount of iron as a catalyst, under a mixed gas flow of nitrogen and CO (1 vol%). The complex decomposed into a homogeneous mixture of alumina and carbon at the molecular level, resulting in the lowering of the formation temperature of the AlN nanostructures. The morphology of the nanostructures such as nanocone, nanoneedle, nanowire, and nanobamboo was controlled by varying the reaction conditions, including the reaction atmosphere, reaction temperature, duration time, and ramping rate. Iron droplets were observed on the tips of the AlN nanostructures, strongly supporting that the nanostructures grow through the vapor-liquid-solid mechanism. The variation in the morphology of the nanostructures was well explained in terms of the relationship between the diffusion rate of AlN vapor into the iron droplets and the growth rate of the nanostructures.

Physical Aging Mechanism of Epoxy Coating by Hygrothermal Cycling Test

  • Kim, Min Hong;Lee, Gun Dae;Park, Jin Hwan
    • Corrosion Science and Technology
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    • v.5 no.5
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    • pp.177-180
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    • 2006
  • The anticorrosive performance of epoxy coating was examined by using the hygrothermal cyclic test and the degradation mechanism of the coating was investigated by using the AC impedance method. The relationship between the results obtained from different tests was studied. It was revealed that the hygrothermal cyclic test can be used as an effective acceleration test for the degradation of organic coating. It was also found in hygrothermal cyclic test that the epoxy coatings have the resistance to stresses at some extent. The degradation of organic coating seems to be caused by the decrease of resistance of coating and the increase of both capacitance and free volume in the organic coating.