• Bulletin of the Korean Chemical Society
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• 제12권6호
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• pp.692-698
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• 1991

The reaction path Smoluchowski equation approach developed in a recent work to calculate the rate constant for a diffusive multidimensional barrier crossing process is extended to incorporate the configuration-dependent diffusion matrix. The resulting formalism is then applied to the investigation of stilbene photoisomerization dynamics. Adapting a model two-dimensional potential and a model diffusion matrix proposed by Agmon and Kosloff [J. Phys. Chem.,91 (1987) 1988], we derive an eigenvalue equlation for the relaxation rate constant of the stilbene photoisomerization. This eigenvalue equation is solved numerically by using the finite element method. The advantages and limitations of the present method are discussed.

• Bulletin of the Korean Chemical Society
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• 제18권9호
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• pp.1006-1010
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• 1997

The nature and analysis methods of complicated decay profiles found in forced Rayleigh scattering (FRS) have been investigated for the probe diffusion of methyl yellow in 2-propanol. The complementary shifted and ground state grating effect, which is known to be the origin of non-single exponential decays, was analyzed by non-linear regression fitting to a double exponential model function. We confirmed that the parameters were highly correlated so that it was difficult to extract a unique set of parameters in the presence of experimental noise. Nevertheless, a reasonable range of decay time constants could be estimated from the grating spacing dependence.

• 한국수소및신에너지학회논문집
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• 제18권3호
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• pp.265-274
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• 2007

A study has been conducted to clarify NO emission behavior through preferential diffusion effects of $H_2$ and H in methane-hydrogen diffusion flames. A comparison is made by employing three species diffusion models. Special concerns are focused on what is the deterministic role of the preferential diffusion effects in flame structure and NO emission. The behavior of maximum flame temperatures with three species diffusion models is not explained by scalar dissipation rate but the nature of chemical kinetics. The preferential diffusion of H into reaction zone suppresses the populations of the chain carrier radicals and then flame temperature while that of $H_2$ produces the increase of flame temperature. These preferential diffusion effects of $H_2$ and H are also discussed about NO emissions through the three species diffusion models.

• Bulletin of the Korean Chemical Society
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• 제30권2호
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• pp.454-458
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• 2009

Polypyrrole (PPy) nanotubes have been synthesized by chemical oxidative polymerization of pyrrole within the pores of polycarbonate membrane using the technology of diffusion of solutes. The nanotubes array prepared by the proposed method can be considered as nanoelectrode ensembles (NEEs). An amperometric uric acid sensor based on PPy NEEs has been developed and used for determination of uric acid in human serum samples. The electrode can direct response to uric acid at potential of 0.60V vs. SCE with wide linear range of $1.52{\times}10^{-6}\;to\;1.54{\times}10^{-3}\;M.\;The\;detection\;limit\;is \;3.02{\times}10^{-7}$ M. This sensor has been used to determine uric acid in real serum samples. PPy NEEs is thought of as a good application in the foreground.

• Korean Chemical Engineering Research
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• 제57권3호
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• pp.358-367
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• 2019

본 연구에서는 활성탄과 제올라이트 13X에 대한 벤젠, 톨루엔 및 자일렌 증기의 기체 흡착평형과 입자내부의 확산 특성을 조사하였다. 압력 범위 0.01~0.07 bar 사이에서 흡착온도를 각각 293.15 K, 303.15 K, 313.15 K로 변화시키면서 정적흡착실험을 수행하였다. 흡착평형은 Langmuir, Freundlich 및 Toth 흡착등온식을 적용하여 해석하였다. 그 결과 표준편차는 Langmuir 식과 Toth 식에서 낮았으며, Freundlich 식에서 표준편차가 가장 컸다. Langmuir 상수를 Arrhenius 식의 형태로 표현하여 구한 흡착에너지는 5.26~31.0 kJ/mol 정도로 물리흡착의 특성을 나타냈다. 흡착제에 따른 흡착질의 최대 흡착량은 활성탄의 경우 벤젠, 톨루엔, 자일렌으로 갈수록 최대 흡착량이 감소했으며, 제올라이트 13X의 경우 활성탄과는 반대로 최대 흡착량이 자일렌에서 가장 크고 벤젠에서 가장 작게 나타났다. 벤젠, 톨루엔 및 자일렌 증기의 유효확산계수는 약 $10^{-5}{\sim}10^{-4}cm^2/s$ 정도로 나타났으며, 압력이 증가함에 따라 값이 작아지고 온도가 증가함에 따라 값이 커지는 경향을 보였다. 온도와 압력의 변화에 따른 유효확산계수의 변화는 활성탄보다 제올라이트 13X에서 민감하게 나타났다. 따라서 압력 변동이 급격하게 발생하는 흡착공정에서 제올라이트 13X를 사용할 경우 정밀한 동적거동 예측을 위해서는 확산계수를 압력에 대한 함수로 표현하는 것이 필요하다.

• 한국가스학회지
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• 제8권3호
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• pp.43-51
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• 2004

GMS(generalized Maxwell Stefan) 모형을 이용하여 나노기공성 TPABr (Tetrapropylammoniumbromide) templating 실리카/알루미나 복합막에서 $CO_2$와 $N_2$의 투과 및 분리 특성을 해석하였다. 담체로 쓰이는 메조포러스 알루미나 지지체에서의 기체 투과는 누슨 확산 (Knudsen diffusion) 및 점성 확산 (viscous diffusion 혹은 Poiseuille flow)에 의존하였으며, 이러한 투과메커니즘은 DGM (dusty gas model)을 통하여 규명할 수 있었다. 본 연구에 사용한 복합막의 분리 특성을 결정 짖는 TPABr templating silica layer의 경우 강한 흡착 특성으로 인하여, 기공 확산보다는 표면 확산(surface diffusion)을 나타내었다. 따라서 GMS 모형을 통해 다성분계의 표면 확산 투과/분리 메커니즘을 성공적으로 해석할 수 있었다. 본 연구에서 사용된 복합무기막에서는 흡착량과 표면 확산 현상이 복합적으로 일어나기 때문에, 강흡착질인 $CO_2$와 비교적 약흡착질인 $N_2$ 혼합물 분리에 있어, $CO_2$의 pore-blocking 현상으로 인해 $CO_2$가 투과 농축되었다.

• Computers and Concrete
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• 제4권2호
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• pp.157-166
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• 2007

The paper considers a theoretical model to study sulfate ion diffusion in saturated porous media - cement based mineral composites, accounting for simultaneous effects, such as filling micro-capillaries (pores) with ions and chemical products and liquid push out of them. Pore volume change and its effect on the distribution of ion concentration within the specimen are investigated. Relations for the distribution of the capillary relative radius and volume within the composite under consideration are found. The numerical algorithm used is further completed to consider capillary size change and the effects accompanying sulfate ion diffusion. Ion distribution within the cross section and volume of specimens fabricated from mineral composites is numerically studied, accounting for the change of material capillary size and volume. Characteristic cases of 2D and 3D diffusion are analyzed. The results found can be used to both assess the sulfate corrosion in saturated systems and predict changes occurring in the pore structure of the composite as a result of sulfate ion diffusion.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.925-928
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• 2012

The accurate expression for the steady-state velocity of an irreversible enzyme-catalyzed reaction obtained by Shin and co-workers (J. Chem. Phys. 2001, 115, 1455) is generalized to allow for the rebinding of the product. The amplitude of the power-law ($t^{-1/2}$) relaxation of the free- and bound-enzyme concentrations to steady-state values is expressed in terms of the steady-state velocity and the intrinsic (chemical) rate constants. This result is conjectured to be exact, even though our expression for the steady-state velocity in terms of microscopic parameters is only approximate.

• 한국마이크로전자및패키징학회:학술대회논문집
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• 한국마이크로전자및패키징학회 2001년도 추계 기술심포지움
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• pp.134-137
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• 2001

The cure kinetics of a cycloalipatic epoxy / anhydride / Co(II) system for a no-flow underfill encapsulant, has been studied by using a differential scanning calorimetry(DSC) under isothermal and dynamic conditions over the temperature range of $160^{\circ}C ~220^{\circ}C$. The kinetic analysis was carried out by fitting dynamic/isothermal heating experimental data to the kinetic expressions to determine the reaction parameters, such as order of reaction and reaction constants. Diffusion-controlled reaction has been observed as the cure conversion increases and successfully analyzed by incorporating the diffusion control term into the rate equation. The prediction of reaction rates by the model equation corresponded well to experimental data at all temperature.

• Macromolecular Research
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• 제15권1호
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• pp.10-16
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• 2007

In this work, we prepared epoxy/BMI composites by using N,N'-bismaleimide-4,4'-diphenylmethane (BMI), epoxy resin (diglycidyl ether of bisphenol-A (DGEBA)), and 4,4'-diamino diphenyl methane (DDM). The thermal properties and water sorption behaviors of the epoxy and BMI composites were investigated. For the epoxy/BMI composites, the glass transition and decomposition temperatures both increased with increasing BMI addition, which indicates the effect of BMI addition on improved thermal stability. The water sorption behaviors were gravi-metrically measured as a function of humidity, temperature, and composition. The diffusion coefficient and water uptake decreased and the activation energy for water diffusion increased with increasing BMI content, indicating that the water sorption in epoxy resin, which causes reliability problems in electronic devices, can be diminished by BMI addition. The water sorption behaviors in the epoxy/BMI composites were interpreted in terms of their chemical and morphological structures.