• Journal of the Korean Chemical Society
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• v.51 no.4
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• pp.365-374
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• 2007

The purpose of this study is to investigate the students' conceptions about the reaction rate changes during the chemical equilibrium shifts and also whether the questions about basic concepts of the reaction rate are helpful for the students' understanding of reaction rate changes during the chemical equilibrium shifts. The subjects were 100 students in the 12th grade. The questionnaires were composed of A, B, and A' set, which had to be answered sequentially. The A set consisted of questions asking the change of reaction rate when chemical equilibrium was shifted, the B set was to testify the basic concepts of the reaction rate, and the A' set was the same as the A set. The results showed that the students' understanding of the reverse reaction rate change was lower than that of the forward reaction rate change during the equilibrium shift. Also it was found that students' understanding of the reaction rate change caused by adding the reactant was fairly good while their understanding of the reaction rate change caused by temperature increment was very poor. Since the students marked very high scores in the B set questions, their poor understanding for the reaction rate changes during the equilibrium shifts was not seemed to be due to the lacks of the basic knowledge of reaction rate. Instead, it was due to the failure of applying the basic knowledge of reaction rate to the changes of reaction conditions. It was also found that the average scores of A' set were statistically higher than those of A set. It means the B set items were helpful for the students to solve the A' set items. These results evidenced the possibility of set questionnaires could help the students to connect the related concepts in solving the problems.

• Bulletin of the Korean Chemical Society
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• v.29 no.5
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• pp.1051-1054
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• 2008

The entropy production in a non-equilibrium state based on the reversible Oregonator model of the Belousov-Zhabotinskii (BZ) reaction system has been studied. The reaction affinity and the reaction rate for the individual steps have been calculated by varying the concentrations of key variables in the system. The result shows a linear relationship between the reaction affinity and the reaction rate in the given concentration range. However, the overall entropy calculated on the basic assumption that the entropy in a reaction system corresponds to the summation of a product of reaction affinity and reaction rate of individual steps shows a nonlinearity of the reaction system. The results well agrees with the fact that the entropy production is not linear or complicated function in a non-linear reaction system.

• Korean Chemical Engineering Research
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• v.47 no.3
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• pp.380-385
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• 2009

The absorption rate of carbon dioxide with 2-amino-2-methyl-1-propanol(AMP) was measured in such non-aqueous solvents as methanol, ethanol, n-propanol, n-butanol, ethylene glycol, propylene glycol, and propylene carbonate, and in water at 298 K and 101.3 kPa using a semi-batch stirred tank with a plane gas-liquid interface. The overall reaction rate constant, obtained under the condition of fast reaction regime, from the measured rate of absorption was used to get the elementary reaction rate constants in complicated reactions represented by reaction mechanism of carbamate formation and the order of overall reaction of $CO_2$ with amine. The correlation between the elementary reaction rate constant and the solubility parameter of the solvent was also presented.

• Journal of the Korean Applied Science and Technology
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• v.3 no.2
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• pp.41-47
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• 1986

The transesterification reaction between diethanolamine and methyl-methacrylate was kinetically investigated in the presence of various metal acetate catalysts at $120^{\circ}C$. The quantity of methylmethacrylate reacted in the reaction flask was measured by gas chromatography and liquid chromatography, and the reaction rate was investigated by measuring of the quantity of products and reactnts under various catalysts. The transesterification reaction was carried out in the first order reaction kinetics with respect to the concentration of diethanolamine and methylmethacrylate, respectively. The apparent rate constant was found to obey first-order kinetics with respect to the concentration of catalyst. The linear relationship was shown between apparent rate constant and reciprocal absolute temperature, and by the Arrhenius plot, the activation energy has been calculated as 11.08 Kcal with zinc acetate catalyst, 17.99 Kcal without catalyst. The maximum reaction rate was appeared at the range of 1.4 to 1.6 of electronegativity of metal ions and instability constant of metal acetates.

• Journal of the Korean Applied Science and Technology
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• v.4 no.1
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• pp.67-71
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• 1987

The transesterification reaction between diethanolamine and methyl methacrylate was kinetically investigated in the presence of various metal acetate catalysts at $120^{\circ}C$. The amount of reacted methyl methacrylate was measured by gas chromatography and liquid chromatography, and the reaction rate also measured from the amount of reaction products and reactants under each catalyst. The transesterification reaction was carried out in the first order with respect to the concentration of diethanolamine and methyl methacrylate, respectively. The over-all order is 2nd. The apparent rate constant was found to obey first-order kinetics with respect to the concentration of catalyst. The maximum reaction rate was appeared at the range of 1.4 to 1.6 of electronegativity of metal ions and instability constant of metal acetates.

• Korea-Australia Rheology Journal
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• v.14 no.2
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• pp.63-70
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• 2002

Chemical mechanical planarization (CMP) is the polishing process enabled by both chemical and mechanical actions. CMP is used in the fabrication process of the integrated circuits to achieve adequate planarity necessary for stringent photolithography depth of focus requirements. And recently copper is preferred in the metallization process because of its low resistivity. We have studied the effects of chemical reaction on the polishing rate and surface planarity in copper CMP by means of numerical simulation solving Navier-Stokes equation and copper diffusion equation. We have performed pore-scale simulation and integrated the results over all the pores underneath the wafer surface to calculate the macroscopic material removal rate. The mechanical abrasion effect was not included in our study and we concentrated our focus on the transport phenomena occurring in a single pore. We have observed the effects of several parameters such as concentration of chemical additives, relative velocity of the wafer, slurry film thickness or ash)tract ratio of the pore on the copper removal rate and the surface planarity. We observed that when the chemical reaction was rate-limiting step, the results of simulation matched well with the experimental data.

• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.769-777
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• 2013

The effect of operating conditions (temperature and the partial pressures of H2 and CO) on the reaction rate of Fischer-Tropsch synthesis (FTS) were investigated by carrying out experiments according to a Box-Behnken design (BBD), and were mathematically modeled by using response surface methodology (RSM). The catalyst used was a nano-structured cobalt/manganese oxide catalyst, which was prepared by thermal decomposition. The rate of synthesis was measured in a fixed-bed micro reactor with $H_2/CO$ molar feed ratio of 0.32-3.11 and reactor pressure in the range of 3-9.33 bar at space velocity of $3600h^{-1}$ and a temperature range of 463.15-503.15 K, under differential conditions (CO conversion below 2%). The results indicated that in the present experimental setup, the temperature and the partial pressure of CO were the most significant variables affecting reaction rate. Based on statistical analysis the quadratic model of reaction rate of FTS was highly significant as p-value 0.0002.

• 한국연소학회:학술대회논문집
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• 2003.05a
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• pp.129-136
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• 2003

Numerical study with momentum-balanced boundary conditions has been conducted to grasp chemical effects of added $CO_{2}$ and $H_{2}O$ to fuel- and oxidizer-sides on flame structure and NO emission behavior in $CH_{4}$/Air counterflow diffusion flames. The dilution with $H_{2}O$ results in significantly higher flame temperatures and NO emission, but dilution with $CO_{2}$ has much more chemical effects than that with $H_{2}O$. Maximum reaction rate of principal chain branching reaction due to chemical effects decreases with added $CO_{2}$. but increases with added $H_{2}O$. The NO emission behavior is closely related to the production rate of OH, CH and N. The OH radical production rate increases with added $H_{2}O$ but those of CH, N decrease. On the other hand the production rates of OR CH and N decrease with added $CO_{2}$. It is found that NO emission behavior is considerably affected by chemical effects of added $CO_{2}$ and $H_{2}O$.

• Journal of Electrochemical Science and Technology
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• v.6 no.4
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• pp.146-151
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• 2015

Here I report an electrochemical simulation work that compares voltammetric current and resistance of a complex electrochemical reaction over a potential scan. For this work, the finite element method is employed which are frequently used for voltammetry but rarely for impedance spectroscopy. Specifically, this method is used for simulation of a complex reaction where a heterogeneous faradaic reaction is followed by a homogeneous chemical reaction. By tracing the current and its polarization resistance, I learn that their relationship can be explained in terms of rate constants of charge transfer and chemical change. An unexpected observation is that even though the resistance is increased by the rate of the following chemical reaction, the current can be increased due to the potential shift of the resistance made by the proceeding faradaic reaction. This report envisions a possibility of the FEM-based resistance simulation to be applied to understand a complex electrochemical reaction. Until now, resistance simulations are mostly based on equivalent circuits or complete mathematical equations and have limitations to find proper models. However, this method is based on the first-principles, and is expected to be complementary to the other simulation methods.

• Bulletin of the Korean Chemical Society
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• v.6 no.5
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• pp.280-284
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• 1985

Kinetic measurements of the 5-nitrofurfural-hydrazine reaction in various pH ranges of aquous solution were carried out by ultraviolet spectrophotometry at $25^{\circ},\;35^{\circ}\;and\;45^{\circ}C$. The observed rate of the reaction varies with the change in pH, which gives characteristic "bell-type" rate acidity profile. The maximum rate is shown in the vicinity of pH 4. This reaction procceds with rate-determining attack of hydrazine on the 5-nitrofurfural at low pH and undergoes a change in rate-determining step to dehydration of the addition intermediate as pH increases. The reaction has a "reactant-like transition state" which precedes intermediate in low pH and "product-like transition state" which follows it in neutral pH. The geometry of 5-nitrofurfural-hydrazine intermediate was estimated with PCILO method associated with CNDO/2 scheme.