• Title/Summary/Keyword: chemical reactivity

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Synthesis of Nano-Scale Photocatalyic TiO2 Powder Doped with Ag by Sonochemistry Reaction (초음파화학 반응에 의한 Ag 도핑 광촉매용 나노 TiO2 분말의 합성)

  • Cho, Sung-Hun;Lee, Soo-Whon
    • Korean Journal of Materials Research
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    • v.19 no.3
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    • pp.169-173
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    • 2009
  • In chemistry, the study of sonochemistry is concerned with understanding the effect of sonic waves and wave properties on chemical systems. In the area of chemical kinetics, it has been observed that ultrasound can greatly enhance chemical reactivity in a number of systems by as much as a million-fold. Nano-technology is a super microscopic technology in which structures of 100 nanometers or smaller can be investigated. This technology has been used to develop $TiO_2$ materials and $TiO_2$ devices of that size. Thus far, electrochemistry methods and photochemistry methods have generally been used to create $TiO_2$ nano-size particles. However, these methods are complicated and create pollutants as a by-product. In the present study, nano-scale silver particles (5 nm) were prepared in a sonochemistry method. Sonochemistry deals with mechanical energy that is provided by the collapse of cavitation bubbles that form in solutions during exposure to ultrasound. $TiO_2$ powders 25 nm in size doped with Ag were formed using an ultrasonic sound technique. The experimental results showed the high possibility of removing pollution through the action of a photocatalyst. This powder synthesis technique can be considered as an environmentally friendly powder-forming processing owing to its energy saving characteristics.

A Study on the Nuclear Magnetic Resonance Spectra of Halogen Substituted Anisole Derivatives (할로겐 치환아니솔유도체의 핵자기공명스펙트라에 관한 연구)

  • You Sun Kim
    • Journal of the Korean Chemical Society
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    • v.21 no.2
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    • pp.94-101
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    • 1977
  • The NMR spectra of 2,4-disubstituted or 2,4,6-trisubstituted anisole derivative were examined to study the chemical shift of the ring proton signal. It was found that the chemical shift of the ring proton nearest to the 2-substituted group was influenced by the deshielding effect of the neighboring substituted groups in order of the Van der Waals radii of those groups. These observations were interpreted as a steric influence of 2-substituted group on the reactivity of the neighboring ring proton itself. The spectroscopical data were presented and the results were discussed with views of the above conceptions.

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Theoretical Study on the Mechanism of the Addition Reaction between Cyclopropenylidene and Formaldehyde

  • Tan, Xiaojun;Li, Zhen;Sun, Qiao;Li, Ping;Wang, Weihua
    • Bulletin of the Korean Chemical Society
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    • v.33 no.6
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    • pp.1934-1938
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    • 2012
  • The reaction mechanism between cyclopropenylidene and formaldehyde has been systematically investigated employing the MP2/6-311+$G^*$ level of theory to better understand the cyclopropenylidene reactivity with carbonyl compound. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. Energies of all the species are further corrected by the CCSD(T)/6-311+$G^*$ single-point calculations. It was found that one important reaction intermediate (INTa) has been located firstly $via$ a transition state (TSa). After that, the common intermediate (INTb) for the two pathways (1) and (2) has been formed $via$ TSb. At last, two different products possessing three- and four-membered ring characters have been obtained through two possible reaction pathways. In the reaction pathway (1), a three-membered ring alkyne compound has been obtained. As for the reaction pathway (2), it is the formation of the four-membered ring conjugated diene compound. The energy barrier of the ratedetermining step of pathway (1) is lower than that of the pathway (2), and the ultima product of pathway (2) is more stable than that of the pathway (1).

Effect of Citric Acid in Cu Chemical Mechanical Planarization Slurry on Frictional Characteristics and Step Height Reduction of Cu Pattern

  • Lee, Hyunseop
    • Tribology and Lubricants
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    • v.34 no.6
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    • pp.226-234
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    • 2018
  • Copper chemical mechanical planarization (CMP) has become a key process in integrated circuit (IC) technology. The results of copper CMP depend not only on the mechanical abrasion, but also on the slurry chemistry. The slurry used for Cu CMP is known to have greater chemical reactivity than mechanical material removal. The Cu CMP slurry is composed of abrasive particles, an oxidizing agent, a complexing agent, and a corrosion inhibitor. Citric acid can be used as the complexing agent in Cu CMP slurries, and is widely used for post-CMP cleaning. Although many studies have investigated the effect of citric acid on Cu CMP, no studies have yet been conducted on the interfacial friction characteristics and step height reduction in CMP patterns. In this study, the effect of citric acid on the friction characteristics and step height reduction in a copper wafer with varying pattern densities during CMP are investigated. The prepared slurry consists of citric acid ($C_6H_8O_7$), hydrogen peroxide ($H_2O_2$), and colloidal silica. The friction force is found to depend on the concentration of citric acid in the copper CMP slurry. The step heights of the patterns decrease rapidly with decreasing citric acid concentration in the copper CMP slurry. The step height of the copper pattern decreases more slowly in high-density regions than in low-density regions.

Comparative Study of Nickel and Copper Catalysts Using Al2O3 and Hydrotalcite in Methanol Steam Reforming (메탄올 수증기 개질반응에서 알루미나 및 하이드로탈사이트를 이용한 니켈 및 구리 촉매 비교 연구)

  • Lee, Jae-hyeok;Jang, Seung Soo;Ahn, Ho-Geun
    • Journal of the Korean Institute of Gas
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    • v.26 no.2
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    • pp.14-20
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    • 2022
  • In this study, the catalytic reaction characteristics for producing hydrogen using methanol steam reforming were investigated. Nickel and copper are frequently used in steam reforming reaction and methanol synthesis, were used as main active metals. As a support, hydrotalcite has a high specific surface area, excellent porosity and thermal stability, and has weak Lewis acid sites and basic properties. Hydrotalcite was used to identify catalysts of methanol steam reforming with catalytic activity and their properties. In this research, high reactivity was shown in the catalyst of copper metal with high reducibility. And increasing of active metal loading showed the higher the methanol conversion and hydrogen selectivity.

Simulation Analysis of MILD Combustion and NOx Formation for Methane-Hydrogen Mixture Using 0D Model (0D 모델을 활용한 메탄-수소 혼소에 따른 MILD 연소 및 NOx 배출 특성 해석 연구)

  • AN, SOJEONG;PARK, JINJE;BAE, YOUN-SANG;LEE, YOUNGJAE
    • Transactions of the Korean hydrogen and new energy society
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    • v.33 no.4
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    • pp.400-412
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    • 2022
  • Hydrogen with high chemical reactivity and combustion efficiency, is expected to reduce greenhouse gas and CO emission. However, there is a problem of increase in NOx emission due to hydrogen combustion. MILD combustion technology has been proposed to resolve NOx emission. In this study, the characteristics of MILD combustion and NOx formation by flue gas recirculation (KV) in CH4-H2 mixture were analyzed and predicted using 0D premixed combustion model. The ignition delay time became shorter as the hydrogen co-firing rate increased, and longer as the recirculation rate increased. For NOx emission, EINO decreased as the KV increased, but EINO increased as the hydrogen co- firing rate increased. In particular, EINO was predicted to increase significiently above 80% hydrogen. Through the pathway analysis of NO formation, it was found that the influence of N2O intermediate route and NNH route was enhanced for hydrogen co-firing.

Structure-Reactivity Relationships for the Reaction of Aryl Benzoates with Amines (Aryl Benzoates와 Amine류의 반응에 관한 구조-반응성 관계)

  • Cheong, Duk-Young;Kweon, Jeong-Min;Yoh, Soo-Dong;Park, Byung-Soo
    • Journal of the Korean Chemical Society
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    • v.39 no.7
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    • pp.572-577
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    • 1995
  • The reaction rates of aryl substituted(Z)-benzoates with amines were determined by a spectro-photometric method in acetonitrile at various temperatures. Hammett $\rho$, Bronsted ${\beta}$ values, and activation parameters were evaluated from the kinetic data. Linear free energy relationships, activation parameters, and the interpretation of M-O-F-J diagram suggested that these reactions were probably enforced an $S_AN$ mechanism.

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Stoichiometric Effects. Correlation of the Rates of Solvolysis of Isopropenyl Chloroformate

  • Ryu, Zoon-Ha;Lee, Young-Ho;Oh, Yung-Hee
    • Bulletin of the Korean Chemical Society
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    • v.26 no.11
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    • pp.1761-1766
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    • 2005
  • Solvolysis rates of isopropenyl chloroformate (3) in water, $D_2O$, $CH_3OD$ and in aqueous methanol, ethanol, 2,2,2-trifluoroethanol (TFE), acetone, 1,4-dioxane as well as TFE-ethanol at 10 ${^{\circ}C}$ are reported. Additional kinetic data for pure water, pure ethanol and 80%(w/w) 2,2,2-trifuoroethanol (T)-water (W) at various temperatures are also reported. These rates show the phenomena of maximum rates in specific solvents (30% (v/v) methanol-water and 20% (v/v) ethanol-water) and, variations in relative rates are small in aqueous alcohols. The kinetic data are analyzed in terms of GW correlations, steric effect, kinetic solvent isotope effects (KSIE), and a third order model based on general base catalysis (GBC). Solvolyses based on predominately stoichiometric solvation effect relative to medium solvation are proceeding in 3 and the results are remarkably similar to those for p-nitrobenzoyl chloride (4) in mechanism and reactivity.

Kinetics and Mechanism of the Anilinolysis of Diisopropyl Thiophosphinic Chloride in Acetonitrile

  • Ul Hoque, Md. Ehtesham;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.3880-3886
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    • 2011
  • The nucleophilic substitution reactions of diisopropyl thiophophinic chloride (3) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are investigated kinetically in acetonitrile at $65.0^{\circ}C$. The anilinolysis rate of 3 is rather slow to be rationalized by the conventional stereoelectronic effects. The obtained deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) are secondary inverse ($k_H/k_D$ = 0.80-0.96). The anilinolyses of ten P=S systems in MeCN are reviewed on the basis of DKIEs and selectivity parameters to obtain systematic information on the DKIEs and mechanism for thiophosphoryl transfer reactions. The steric effects of the two ligands on reactivity, DKIEs, mechanism, and substituent effects of the nucleophile (X) on the DKIEs are discussed.

Efficient and Regioselective Ring-Opening of Epoxides with Alcohols and Sodium Azide by using Catalytic Amounts of GaCl3/Polyvinylpyrrolidone

  • Pourali, Ali Reza;Ghayeni, Samaneh;Afghahi, Fatemeh
    • Bulletin of the Korean Chemical Society
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    • v.34 no.6
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    • pp.1741-1744
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    • 2013
  • A new polymeric catalyst was prepared by supporting $GaCl_3$ on cross-linked polyvinylpyrrolidone ($GaCl_3$/PVP). This catalyst was employed for efficient and regioselective ring-opening reaction of epoxides by various alcohols under solvent-free conditions at room temperature. In our procedure, this heterogeneous catalyst was used at neutral and mild reaction conditions to afford high yields of ${\beta}$-alkoxy alcohols. Also, regioselective conversion of epoxides to ${\beta}$-azidohydrines was accomplished by sodium azide in MeOH in the presence of $GaCl_3$/PVP at room temperature. $GaCl_3$/PVP is a non-hygroscopic and recoverable catalyst and is easily separated from reaction mixture by a simple filtration and re-used repeatedly. Also, this catalyst has good handling and can be stored for long time without any reducing of its reactivity.