• Title/Summary/Keyword: Diffusion-influenced reaction

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Memory Equations for Kinetics of Diffusion-Influenced Reactions

  • Yang, Mino
    • Bulletin of the Korean Chemical Society
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    • v.27 no.10
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    • pp.1659-1663
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    • 2006
  • A many-body master equation is constructed by incorporating stochastic terms responsible for chemical reactions into the many-body Smoluchowski equation. Two forms of Langevin-type of memory equations describing the time evolution of dynamical variables under the influence of time-independent perturbation with an arbitrary intensity are derived. One form is convenient in obtaining the dynamics approaching the steady-state attained by the perturbation and the other in describing the fluctuation dynamics at the steady-state and consequently in obtaining the linear response of the system at the steady-state to time-dependent perturbation. In both cases, the kinetics of statistical averages of variables is found to be obtained by analyzing the dynamics of time-correlation functions of the variables.

Reversible Excited-State Proton Transfer: Effect of the Switching of Interaction Potential by Reaction

  • Lee, Jin-uk;Uhm, Je-sik;Lee, Woo-Jin;Lee, Sang-youb;Sung, Jae-young
    • Bulletin of the Korean Chemical Society
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    • v.27 no.2
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    • pp.197-202
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    • 2006
  • In the reaction A + B $^\rightarrow_\leftarrow$ C, where A and B are ionic reactants having opposite charges, a B molecule approaching an A will experience a switching of the interaction potential when the A molecule is captured by one of the other B molecules in the medium. In the reversible case, the former B molecule still has a chance to react with the A, so that one needs to take into account the switched interaction between the reactant B and the product C as well as that between the reactants to treat the kinetics accurately. It is shown that this kind of interaction potential switching affects the relaxation kinetics in an intriguing way as observed in a recent experiment on an excited-state proton transfer reaction.

Effects of Co-Existent Additives and the Role of Reacted Surface Film on the Friction with an Organo-Molybdenum Compound

  • Kim, Young-Hwan
    • Tribology and Lubricants
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    • v.10 no.4
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    • pp.43-50
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    • 1994
  • In order to elucidate the effects of co-existing additives (S$_{8}$, TBP: Tri butyl phosphate, ZnDTP: Zinc-dialkyl dithiophosphate) and the role of reacted surface film on the friction behavior of MoDTP (molybdenum dialkyl dithiophosphate), a friction experiment using a dual circular pipe edge surface type friction tester and XPS (X-ray photoelectronic spectrum) surface analysis were conducted. Friction reduction with MoDTP lubricant was proved to be greatly influenced by co-existing additive species. It was dependent on the properties of the film formed through the reaction between the additive and the surface. Phosphate film reduced the friction coefficient of MoDTP through suppression of diffusion of Mo compounds towards the metal substrate. On the other hand, sulfate film, which is inherently rich in lattice defects, did not lead to any appreciable friction reduction with MoDTP since the diffusion of the Mo compound towards the metal substrate was not effectively suppressed. With ZnDTP additive, the sulfide film formed through decomposition greatly influenced the lubricating performance of MoDTP. As such, properties of surface films formed from additives were proved to yield significant influence on the lubrication performance of MoDTP.

Geometric and mechanical properties evaluation of scaffolds for bone tissue applications designing by a reaction-diffusion models and manufactured with a material jetting system

  • Velasco, Marco A.;Lancheros, Yadira;Garzon-Alvarado, Diego A.
    • Journal of Computational Design and Engineering
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    • v.3 no.4
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    • pp.385-397
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    • 2016
  • Scaffolds are essential in bone tissue engineering, as they provide support to cells and growth factors necessary to regenerate tissue. In addition, they meet the mechanical function of the bone while it regenerates. Currently, the multiple methods for designing and manufacturing scaffolds are based on regular structures from a unit cell that repeats in a given domain. However, these methods do not resemble the actual structure of the trabecular bone which may work against osseous tissue regeneration. To explore the design of porous structures with similar mechanical properties to native bone, a geometric generation scheme from a reaction-diffusion model and its manufacturing via a material jetting system is proposed. This article presents the methodology used, the geometric characteristics and the modulus of elasticity of the scaffolds designed and manufactured. The method proposed shows its potential to generate structures that allow to control the basic scaffold properties for bone tissue engineering such as the width of the channels and porosity. The mechanical properties of our scaffolds are similar to trabecular tissue present in vertebrae and tibia bones. Tests on the manufactured scaffolds show that it is necessary to consider the orientation of the object relative to the printing system because the channel geometry, mechanical properties and roughness are heavily influenced by the position of the surface analyzed with respect to the printing axis. A possible line for future work may be the establishment of a set of guidelines to consider the effects of manufacturing processes in designing stages.

A Study on the Effect of the $CO_2$ Gas on the Growth Mechanism of the Nitrocarburized Layer (연질화층의 성장기구에 미치는 $CO_2$가스의 영향에 관한 연구)

  • Lee, Gu-Hyeon
    • 연구논문집
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    • s.25
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    • pp.175-184
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    • 1995
  • Mechanical properties of the gas nitrocarburized product depend on the surface compound layer and the diffusion zone formed. The compound layer improves the wear resistance, and the corrosion resistance. Though phase composition, pore layer and growth rate of the compound layer varies according to the treatment time, temperature and the kind of the steel substrate, they are strongly influenced by the environmental gas composition. In the current study, the growth behavior of the compound layer and diffusion zone of the carbon steel and the alloy steel upon nitrocarburizing treatment at $570^{\circ}C$, and the phase composition and the variation in the growth rate of the compound layer according to the variation of the gas environment which was the medium of the nitriding and carburizing reaction were investigated.

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Influence of Combustor Pressure on Combustion Characteristics and Local Flame Reaction in the Partially Premixed Flames with $CH_4$, $C_2H_4$ and $C_3H_8$ (부분 예혼합 화염의 연소실 압력이 연료별(메탄, 에틸렌, 프로판) 연소특성과 국소 화염 반응에 미치는 영향)

  • Kim, Jong-Ryul;Son, Je-Ha;Noh, Young-Gu;Kim, Yun-Dong;Choi, Gyung-Min;Kim, Duck-Jool
    • Journal of the Korean Society of Combustion
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    • v.15 no.4
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    • pp.29-36
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    • 2010
  • An experimental study was conducted for three different fuels($CH_4$, $C_2H_4$ and $C_3H_8$) to investigate the combustion characteristics and the local reaction intensity with combustor pressure(-30kpa~30kpa). Regardless of fuel composition, EINOx decreased with reducing pressure decreased. Structure and combustion characteristics were also largely affected by the combustor pressure. In addition, reaction intensity in terms of the changing combustor pressure and equivalence ratio was investigated. Combustion reaction in higher than atmospheric pressure was very active than the lower combustor pressure. When the combustor pressure is lower than the atmospheric pressure, the overall reactivity is noticeably enhanced due to the elevated diffusion process of unburned mixture. It was found that the combustion characteristics of the methane and propane flames are considerably influenced by the pressure while those of ethylene flame are less sensitive to the combustor pressure.

Adsorption Characteristics of Antibiotics Amoxicillin in Aqueous Solution with Activated Carbon Prepared from Waste Citrus Peel (폐감귤박으로 제조한 활성탄을 이용한 수중의 항생제 Amoxicillin의 흡착 특성)

  • Kam, Sang-Kyu;Lee, Min-Gyu
    • Applied Chemistry for Engineering
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    • v.29 no.4
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    • pp.369-375
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    • 2018
  • Batch experiments were conducted to investigate the effects of operating parameters such as the temperature, initial concentration, contact time and adsorbent dosage on the adsorption of antibiotics amoxicillin (AMX) by waste citrus peel based activated carbon (WCAC). The kinetics and isotherm experiment data can be well described with the pseudo-second order model and the Langmuir isotherm model, respectively. The maximum adsorption capacity of AMX by WCAC calculated from the Langmuir isotherm model was 125 mg/g. The adsorption of AMX by WCAC shows that the film diffusion (external mass transfer) and the intraparticle diffusion occur simultaneously during the adsorption process. The adsorption rate is more influenced by the intraparticle diffusion than that of the external mass transfer as the particle size of WCAC increases, and the intraparticle diffusion is the rate controlling step. The thermodynamic parameters indicated that the adsorption reaction of AMX by WCAC was an endothermic and spontaneous process.

External and Internal Glucose Mass Transfers in Succinic Acid Fermentation with Stirred Bed of Immobilized Actinobacillus succinogenes under Substrate and Product Inhibitions

  • Galaction, Anca-Irina;Rotaru, Roxana;Kloetzer, Lenuta;Vlysidis, Anestis;Webb, Colin;Turnea, Marius;Cascaval, Dan
    • Journal of Microbiology and Biotechnology
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    • v.21 no.12
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    • pp.1257-1263
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    • 2011
  • This paper is dedicated to the study on the external and internal mass transfers of glucose for succinic acid fermentation under substrate and product inhibitions using a bioreactor with stirred bed of immobilized Actinobacillus succinogenes cells. By means of the substrate mass balance for a single particle of biocatalysts, considering the kinetic model adapted for both inhibitory effects, specific mathematical models were developed for describing the profiles of the substrate concentration in the outer and inner regions of biocatalysts and for estimating the substrate mass flows in the liquid boundary layer surrounding the particle and inside the particle. The values of the mass flows were significantly influenced by the internal diffusion velocity and rate of the biochemical reaction of substrate consumption. These cumulated influences led to the appearance of a biological inactive region near the particle center, its magnitude varying from 0 to 5.3% of the overall volume of particles.

Predictions on the Flame Structure and Soot Distribution in the Coflowing Laminar Diffusion Flames (동층류 축대칭 확산화염내의 화염구조 및 매연입자 분포의 예측)

  • 이정기;김상수
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.16 no.8
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    • pp.1583-1594
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    • 1992
  • A numerical calculation on the flame structure and soot particle distribution in a coannular laminar diffusion flame was performed. Flame analysis model utilized basically flame sheet concepts, Shvab-Zel'dovich assumption, and one step overall irreversible reaction. It was also considered the variation of thermodynamics and transport properties, and the stagnation enthalpy was used for solving temperature field. Radiation was taken into account, since it has been found to be important in determining the flame temperature in sooty flames. For soot particle analysis, we adopted the coagulation, suface condensation, and the oxidation model in addition to tesner's two-step formation model. Equations for primary soot particle excluding the agglomeration process were solved. Based on the results, the regions of soot generation, growth, and oxidation in the flame have been observed and radiation strongly influenced flame temperature and soot distribution.

Nonequilibrium Distribution Function Theory of Many-Particle Effects in the Reversible Reactions of the Type A+B ↔ C+B

  • Lee, Jin-Uk;Uhm, Je-Sik;Lee, Woo-Jin;Lee, Sang-Youb;Sung, Jae-Young
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.1986-1990
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    • 2005
  • We study the relaxation kinetics of reversible reactions of the type A + B $^\leftarrow_\rightarrow$ C + B by applying the manyparticle kernel theory, which we have developed to investigate many particle effects on general diffusioninfluenced reactions. It is shown that for the target model, where A and C molecules are immobile and their interconversion is induced by the encounter with the B molecules that are present in much excess, the manyparticle kernel theory gives a result that coincides with the known exact result.