• Bulletin of the Korean Chemical Society
• /
• v.34 no.2
• /
• pp.574-578
• /
• 2013

In this work, the friction and diffusion coefficients of a tracer in a mesoscopic solvent are evaluated as a function of the tracer size by a hybrid molecular dynamics simulation where solute molecules evolve by Newton's equations of motion but the solvent evolves through the multi-particle collision dynamics. The friction coefficient is shown to scale linearly with the tracer size for larger tracers in accord with predictions of hydrodynamic theories. The diffusion coefficient of tracer is found to be inversely proportional to tracer size. The behavior of Stokes-Einstein formula is validated as a function of tracer size.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.8
• /
• pp.868-874
• /
• 1998

An equivalent retention has been experimentally observed in thermal field-flow fractionation (ThFFF) for different polymer-solvent systems. It is shown that iso-retention between two sets of polymer-solvent systems can be obtained by adjusting the temperature difference (ΔT) according to the difference in the ratio of ordinary diffusion coefficient to thermal diffusion coefficient. This method uses a compensation of field strength (ΔT) in ThFFF at a fixed condition of cold wall temperature. It is applied for the calculation of molecular weight of polymers based on a calibration run of different standards obtained at an adjusted AT. The polymer standards used in this study are polystyrene (PS), polymethylmethacrylate (PMMA), and polytetrahydrofuran (PTHF). Three carrier solvents, tetrahydrofuran (THF), methylethylketone (MEK) and ethylacetate (ETAc) were employed. Though the accuracy in the calculation of molecular weight is dependent on the difference in the slope of log λ vs. log M which is related to Mark-Houwink constant a, it shows reasonable agreement within about 6% of relative error in molecular weight calculation for the polymer-solvent systems having similar a value.

• Bulletin of the Korean Chemical Society
• /
• v.13 no.4
• /
• pp.398-404
• /
• 1992

We have investigated the kinetics of diffusion-influenced bimolecular reactions in which one reactant has an internal mode, called the gating mode, that activates or deactivates its reactivity intermittently. The rate law and an expression for the time-dependent rate coefficient have been obtained from the general formalism based on the hierarchy of kinetic equations involving reactant distribution functions. The analytic expression obtained for the steady-state reaction rate constant coincides with the one obtained by Szabo et al., who derived the expression by employing the conventional concentration-gradient approach. For the time-dependent reaction rate coefficient, we obtained for the first time an exact analytic expression in the Laplace domain which was then inverted numerically to give the time-domain results.

• Bulletin of the Korean Chemical Society
• /
• v.15 no.3
• /
• pp.209-213
• /
• 1994

Two unknown values among three electrochemical values, i.e. electrode area, diffusion coefficient, and concentration, are simultaneously obtained by nonlinear regression analysis of a single chronoamperometric faradaic current curve at a microdisk electrode. The approach is an analytical application of the semi-empirical equation presented by Shoup and Szabo for the chronoamperometric response at a disk electrode. To demonstrate the usefulness and accuracy of this approach, the chronoamperometric current at a platinum disk electrode of 50 ${\mu}m$ radius in solutions of $Ru(NH_3)_6^{3+},\;ferrocene,\;Fe(CN)_6^{3-},\;and\;C_{60}$, were analyzed.

• Journal of the Korean Electrochemical Society
• /
• v.4 no.4
• /
• pp.139-145
• /
• 2001

Various compositions of iron oxide based materials as a cathode of lithium secondary battery have been fabricated and tested with electrochemical method. A layered form of $LiFeO_2$ was synthesized by mixing and heating the initial materials of $FeCl_3\;6H_2O,\;LiOH$ and NaOH at low temperature. The effect of changing the precursors composition was investigated. As a result, when increasing the additive amount of NaOH, the capacity of the electrode is decreased but the performance and declining rate of capacity became smaller. $LiFeO_2$ synthesized with the weight ratio of $NaOH/FeCl_3/LiOH,\;2/1/7$ showed the largest capacity, but the discharging efficiency was sharply decreased after 30 cycles. Charge-discharge tests of lithium cells with $LiFeO_2$ cathode having the layer structure were performed. This cell showed the reversibility in the range of 1.5-4.5V of cell voltage. By using CPR method, chemical diffusion coefficients were measured in 1M $LiPF_6/EC/DEC$ solution. The value of chemical diffusion coefficient decreased with increasing the lithium content x, In 0.5$10^{-11}^cm^2/s$.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.2
• /
• pp.519-523
• /
• 2013

When atomic layer deposition (ALD) is performed on a porous material by using an organometallic precursor, minimum exposure time of the precursor for complete coverage becomes much longer since the ALD is limited by Knudsen diffusion in the pores. In the previous report by Min et al. (Ref. 23), shrinking core model (SCM) was proposed to predict the minimum exposure time of diethylzinc for ZnO ALD on a porous cylindrical alumina monolith. According to the SCM, the minimum exposure time of the precursor is influenced by volumetric density of adsorption sites, effective diffusion coefficient, precursor concentration in gas phase and size of the porous monolith. Here we modify the SCM in order to consider undesirable adsorption of byproduct molecules. $TiO_2$ ALD was performed on the cylindrical alumina monolith by using titanium tetrachloride ($TiCl_4$) and water. We observed that the byproduct (i.e., HCl) of $TiO_2$ ALD can chemically adsorb on adsorption sites, unlike the behavior of the byproduct (i.e., ethane) of ZnO ALD. Consequently, the minimum exposure time of $TiCl_4$ (~16 min) was significantly much shorter than that (~71 min) of DEZ. The predicted minimum exposure time by the modified SCM well agrees with the observed time. In addition, the modified SCM gives an effective diffusion coefficient of $TiCl_4$ of ${\sim}1.78{\times}10^{-2}\;cm^2/s$ in the porous alumina monolith.

• Journal of the Semiconductor & Display Technology
• /
• v.12 no.1
• /
• pp.23-28
• /
• 2013

Epoxy resins are widely used in microelectronics packaging such as printed circuit board and encapsulating for semiconductor manufacturing. Water can diffuse into and through the epoxy matrix systems and moisture absorption at boarding interfaces of matrix resin systems can lead to a hydrolysis at the interfaces resulting in delamination of encapsulating materials. In the study, the changes of diffusion coefficient and moisture content ratio of epoxy resin systems with nano-sized fillers according to the change of liquid type epoxy resins were investigated. RE-304S, RE-310S, RE-810NM and HP-4032D as a epoxy resin, Kayahard AA as a hardener, and 1B2MI as a catalyst were used in these epoxy resin systems. After curing, moisture content ratios were measured with time under the 85 and 85% relative humidity condition using a thermo-hydrostat. The maximum moisture absorption ratio and diffusion coefficient of EMC decrease with the filler content. It can be seen that these decreases are due to the increase of filler surface area and the decrease of moisture through channel with the content of nano-sized filler.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.10
• /
• pp.2791-2796
• /
• 2010

In the present study, we constructed a membrane inlet assembly for selective permeation of volatile airborne organic compounds for subsequent analysis by time-of-flight mass spectrometry. The time-dependent diffusion of analytes through a $75\;{\mu}m$ thick polydimethylsiloxane membrane was measured by monitoring the ion signal after a step change in the sample concentration. The results fit well to a non-steady-state permeation equation. The diffusion coefficient, response time, and sensitivity were determined experimentally for a range of polar (halogenated) and nonpolar (aromatic) compounds. We found that the response times for several volatile organic compounds were greatly influenced by the alkyl chain length as well as the size of the substituted halogen atoms. The detection limits for benzene, ethylbenzene, and 2-propanol were 0.2 ppm, 0.1 ppm, and 3.0 ppm by volume, respectively, with a linear dynamic range greater than three orders of magnitude. These results indicate that the membrane inlet/time-of-flight mass spectrometry technique will be useful for a wide range of applications, particularly for in situ environmental monitoring.

• Journal of the Korean Chemical Society
• /
• v.41 no.8
• /
• pp.385-391
• /
• 1997

Diffusion Coefficient$(D_0)$ and electrode reaction rate Constant$(K_0)$ of Co$(dimethyl bipyridine)_3(ClO_4)_2$ were determined by cyclic voltammetry and chronoamperometry. It was also investigated that the effects of solvent, concentration, and scan rate, etc. on the diffusion coefficient and the temperature effect on the rate constant. The peak currents and diffusion coefficients were dcreased as increasing the viscosity of solvent. Diffusion coefficient was $5.54{\times}10^{-6 }cm^2/sec$ and the reaction rate constant was $2.39{\times}10^{-3 }/s$ at 25$^{\circ}C$. The thermodynamic parameters such as ${\Delta}G^{\neq},\;{\Delta}H^{\neq},\;and\;{\Delta}S$ were calculated from plotting the reaction rate constants versus the solution temperatures. This compound was shown the catalytic effect on the oxygen reduction that the reduction peak current of oxygen was greatly enhanced and the peak potential was shifted to +0.2 volt.

• Journal of Electrochemical Science and Technology
• /
• v.15 no.2
• /
• pp.276-290
• /
• 2024

A study of the transition from transitory state to steady state in DSSCs based on natural dyes is presented; cochineal was used as dye and Li⁺, Na⁺, and K⁺ were the ions added to the electrolyte. The photocurrent profiles were obtained as a function of time. Several DSSCs were prepared with different cations and their role and the transitory-to-steady transition was determined. A novel hybrid charge carrier source model based on the Heaviside function H(t) and the Lambert-Beer law, was developed and applied to analysis of the transient response of the output photocurrent. Additionally, the maximum effective light absorption coefficient α and the electronic extraction rate κ for each ion were determined: ${\alpha}_{Li^+,Na^+,K^+}\,=\,(0.486,\,0.00085,\,0.1126)\,cm^{-1}$, and also the electronic extraction rate ${\kappa}^{Li^+,Na^+,K^+}_{ext.}\,=\,(1410,\,19.07,\,19.69)\,cm\,s^{-1}$. The impedance model using Fick's second law was developed for carrier recombination to characterize the photocurrent.