• 제목/요약/키워드: Irreversible reaction

Search Result 135, Processing Time 0.021 seconds

Properties of Capacity on Carbon Electrode in EC : MA Electrolyte II. Effect of Additives on Initial Irreversible Capacity (EC : MA 혼합전해질에서 카본 전극의 용량 특성 II. 초기 비가역 용량에 대한 첨가제의 효과)

  • Park, Dong-Won;Kim, Woo-Seong;Son, Dong-Un;Choi, Yong-Kook
    • Applied Chemistry for Engineering
    • /
    • v.17 no.6
    • /
    • pp.575-579
    • /
    • 2006
  • Solid electrolyte interface is formed on a carbon electrode used as an anode in Li-ion battery, which can be of $Li^{+}$ intercalation/deintercalation during the first cycle. The passivation film formed by a solvent decomposition during the initial charge process affects cell performance and it was one of the main reason of an initial irreversible capacity. This paper describes the use, for the first time, of $Li_2CO_3$ as the additive for the formation of a passivation film on the carbon surface to suppress the initial irreversible reaction. Chronopotentiometry, cyclic voltammetry, and impedance spectroscopy were used to investigate the effects of the $Li_{2}CO_{3}$ additive. Scanning electron microscopy, energy dispersive X-ray analysis, and X-ray diffraction were also used to monitor changes in the surface morphology and composition of the passivation film formed by solvent decomposition and the precipitation of $Li_{2}CO_{3}$. The addition of $Li_{2}CO_{3}$ to a solution of 1 M $LiPF_{6}$/EC:MA (1:3, v/v) resulted in a decrease in the initial irreversible capacity and it was due to the suppression of the solvent decomposition on the electrode surface.

The Kinetics and Mechanism of the Nucleophilic Addition of Thiourea for Furfurylidene Acetophenone derivatives (Furfurylidene acetophenone유도체에 대한 Thiourea의 친핵성 첨가반응 메카니즘과 그 반응속도론적 연구)

  • Lee, Ki-Chang;Mok, Gap-Young;Oh, Se-Young;Ryu, Jung-Wok
    • Journal of the Korean Applied Science and Technology
    • /
    • v.14 no.1
    • /
    • pp.27-32
    • /
    • 1997
  • Furfurylidene acetophenone derivatives were synthesis, it was measured that nucleophilic addition made use of UV at a wide pH 1.0${\sim}$13.0 range in 30% dioxane-$H_2O$ solution, 25$^{\circ}C$. On the basis of general base catalysis, substitutent effect, confirmation of nucleophilic addition products, it was measured the reaction rate of furfurylidene acetophenone derivatives for the pH change. It may be concluded that a part was unrelated to pH and another part was in proportion to concentration of hydroxide ion: Above pH 10.0. sulfide anion adds to the double bond (Michael type addition), a part having no concern with pH, addition reaction to double bond is initiated by addition of neutral thiourea molecule. From the result of measurement the reaction rate, nucleophilic addition of furfurylidene acetophenone derivatives confirmed to the irreversible first order. Through measurement the substituent effect. It found that reaction rate was accelerated by electron attracting group. On the basis of these findings, nucleophilic addition of thiourea for the furfurylidene acetophenone derivative was proposed a fitting mechanisms.

Electrochemical Reduction on the -S-N= Bond of N-Oxyldiethylenebenzothiazole-2-sulfenamide (N-Oxyldiethylenebenzothiazole-2-sulfenamide의 -S-N= 결합에 대한 전기화학적 환원)

  • Kim, Hae-Jin;Jung , Keun-Ho;Choi, Qw-Won;Kim, Il-Kwang;Leem, Sun-Young
    • Journal of the Korean Chemical Society
    • /
    • v.35 no.6
    • /
    • pp.680-688
    • /
    • 1991
  • The electrochemical reduction of N-oxyldiethylenebenzothiazole-2-sulfenamide (ODBS; vulcanization accelerator) was investigated by direct current polarography, differential pulse polarography, cyclic voltammetry and controlled potential coulometry. The irreversible electrode reduction of ODBS proceeded E-C-E-C reaction mechanism by three electrons transfer with irreversible one wave (-1.86 volts vs. Ag/0.1 M AgN$O_3$ in AN). As the results of controlled potential electrolysis, mercaptobenzothiazole (MBT), benzothiazole disulfide (MBT dimer) and extricated sulfur were products which followed by cleavage of the sulfenamide (-S-N=) bond. Upo the basis of products analysis and polarogram interpretation witli pH variable, electrochemical reaction mechanism was suggested.

  • PDF

Studies on the Electrochemical Properties of Indigo Dye (인디고 염료의 전기화학적 특성 연구)

  • Lee Song Ju;Jang Hong Gi;Heo Buk Gu;Park Dong Won
    • Textile Coloration and Finishing
    • /
    • v.17 no.4 s.83
    • /
    • pp.1-6
    • /
    • 2005
  • We studied the degree of variety of indigo for the electrochemical redox reaction in addition of reducing agent and the electrokinetic parameters. The electrokinetic parameters such asthe number of electron and the exchange rate constant were obtained by cyclic voltammetry. With increasing scan rate, the reduction currents of indigo were increased and the reduction potentials were shifted to the negative direction. As the results, the reduction processes of the indigo were proceeding to totally irreversible and diffusion controlled reaction. Also, exchange rate constant ($k^0$) and diffusion coefficient ($D_0$) of indigo were decreased by increasing concentration of reducing agent. We found that the less concentration, the more easily diffused and electron transferred and the product was more stable.

Influence of Promoters on the Tungsten - Catalysts in Hydrodenitrogenation of Pyridine (Pyridine의 수첨탈질 반응에 있어서 텅스텐 촉매에 대한 조촉매의 영향)

  • 신동헌;박종희;김경림
    • Journal of Korean Society for Atmospheric Environment
    • /
    • v.3 no.1
    • /
    • pp.1-12
    • /
    • 1987
  • A series of supported sulfided Ni-W/$\gamma-Al_2O_3$ and Co-W/$\gamma-Al_2O_3$ catalysts with different nickel and cobalt contents were studied in the hydrodenitrogenation of pyridine dissolved in n-heptane. The ranges of experimental conditions were at the temperatures between 453 and 753 K, and the pressures between 30 and 50 Bar. The catalytic activities with different nickel and cobalt contents were shown to be maximum at Ni/Ni+W = 0.2 - 0.3, Co/Co+W = 0.3 - 0.4. Pyridine conversion increased with pressure and temperature and the step of piperidine formation was found to be irreversible. The reaction orders in Ni-W/$\gamma-Al_2O_3$ and Co-W/$\gamma-Al_2O_3$ catalysts were the first with respect to pyridine and reaction rate constants decreased with increase of initial pyridine concentration and their activation energies were 12.98 and 9.23 kcal/mol, respectively.

  • PDF

Electrochemical Study on the Coumarin Derivatives

  • Kim, Il Kwang;Chun, Hyun Ja;Paik, Soon Ok;Park, Sung Woo
    • Analytical Science and Technology
    • /
    • v.8 no.4
    • /
    • pp.655-661
    • /
    • 1995
  • The electrochemical reduction of coumarin derivatives in 0.1M TEAP acetonitrile solution was investigated by the direct current, differential pulse polarography, cyclic voltammetry and controlled potential coulometry. The electrochemical reduction of 7-acetoxy-4-bromomethyl-coumarin(ABMC) was proceeded as an irreversible three steps(-0.58, -1.63 and -2.25 volts) of electrochemical transfer before chemical reaction. The solution color turned to yellow after the carboxyl group was reduced at 2nd step(-1.63 volts vs. Ag-AgCl) and the change in color was independant to the bromo group. Upon the basis of the results on the products analysis and the interpretaton of polarograms, a possible electrochemical reaction mechanism was suggested.

  • PDF

Three-dimensional Detonation Cell Structures in a Circular Tube

  • Cho, D.R.;Won, S.H.;Shin, Edward J.R.;Choi, J.Y.
    • Proceedings of the Korean Society of Propulsion Engineers Conference
    • /
    • 2008.03a
    • /
    • pp.597-601
    • /
    • 2008
  • Three-dimensional structures of detonation wave propagating in circular tube were investigated. Inviscid fluid dynamics equations coupled with a conservation equation of reaction progress variable were analyzed by a MUSCL-type TVD scheme and four stage Runge-Kutta time integration. Variable-$\gamma$ formulation was used to account for the variable properties between unburned and burned states and the chemical reaction was modeled by using a simplified one-step irreversible kinetics model. The computational code was parallelized based on domain decomposition technique using MPI-II message passing library. The computations were carried out using a home made Windows based PC cluster having 160 AMD AthloxXP and Athlon64 processor. The computational domain consisted of through a roundshaped tube with wall conditions. As an initial condition, analytical ZND solution was distributed over the computational domain with disturbances. The disturbances has circumferential large gradient. The unsteady computational results in three-dimension show the detailed mechanisms of multi-cell mode of detonation wave instabilities resulting diamond shape in smoked-foil record.

  • PDF

Phosphate Desorption of Kaolinite KGa-1b (Source Clay) (카올리나이트 KGa-1b (표준 점토)의 인산염 탈착 특성)

  • Cho, Hyen-Goo;Kim, Soo-Oh;Choo, Chang-Oh;Do, Jin-Young
    • Journal of the Mineralogical Society of Korea
    • /
    • v.22 no.4
    • /
    • pp.289-295
    • /
    • 2009
  • The characteristics of phosphate desorption on kaolinite was studied by batch adsorptiondesorption experiments. Desorption procedure was carried out through sequential extraction method at pH 4. The phosphorous contents were measured using UV-VIS-IR spectrophotometer with 820 nm wavelength. The adsorption-desorption reaction of P on kaolinite was irreversible, and most of adsorbed P on kaolinite were not easily dissolved to aqueous solution, but may might be fixed on kaolinite surface. The desorption isotherms were well fitted with the Freundlich and Temkin equations in the case of short reaction and long reaction time, respectively. The desorption reaction was divided into the early fast reaction and the later slow reaction. The percentage of desorption generally decreased with increasing adsorbed P concentration and increasing desorption reaction time.

Synthesis and thermal decomposition of $Zn[BH_4]_2$ ($Zn[BH_4]_2$ 분말의 합성과 열분해 특성)

  • Jeon, Eun;Cho, Young-Whan
    • Transactions of the Korean hydrogen and new energy society
    • /
    • v.16 no.3
    • /
    • pp.262-268
    • /
    • 2005
  • [ $Zn(BH_4)_2$ ](8.4 wt% theoretical hydrogen storage capacity powders have been successfully synthesized by mechanochemical reaction from mixtures of $ZnCl_2$ and $NaBH_4$ powders in a 1:2 molar ratio in different times. $$ZnCl_2+2NaBH_4{\rightarrow}Zn(BH_4)_2+2NaCl$$ (1) $Zn(BH_4)_2$ powders were characterized by X-ray diffractometry(XRD), and Furier Transform Infrared spectrometry(FT-IR). The thermal stabilities of $Zn(BH_4)_2$ powders were studied by Differential scanning calorimetry(DSC), Thermogravimetry analysis(TGA), and Mass spectrometry(MS). $Zn(BH_4)_2$ can be tested for hydrogen evolution without further purification. The reaction to yield hydrogen is irreversible, the other products being compounds of Zn, and borane. $Zn(BH_4)_2$ thermally decomposes to release borane and hydrogen gas between about 85 and 150$^{\circ}C$.

Three-dimensional Numerical Analysis of Detonation Wave Structures in a Square Tube (정사각관 내 데토네이션 파 구조의 삼차원 수치 해석)

  • Cho, Deok-Rae;Won, Su-Hee;Shin, Jae-Ryul;Lee, Soo-Han;Choi, Jeong-Yeol
    • Journal of the Korean Society of Propulsion Engineers
    • /
    • v.11 no.1
    • /
    • pp.1-10
    • /
    • 2007
  • Three dimensional structures of detonation waves propagating in a square tube were investigated using a high resolution CFD code coupled with a conservation equation of reaction progress variable and an one-step irreversible reaction. The code were parallelized based on domain decomposition technique using MPI library. The computations were carried on an in-house Windows cluster with AMD processors. Three-dimensional unsteady analysis results in the smoked-foil records caused by the instabilities of the detonation waves, which showed the rectangular and diagonal modes of detonation instabilities depending on the initial condition of disturbances and the spinning detonation for case of small reaction constant.