• Journal of Electrochemical Science and Technology
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• 제10권1호
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• pp.69-81
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• 2019

The corrosion inhibiting mechanism of Vietnam orange peel essential oil (OPEO) for mild steel in 1 N HCl solution was investigated elaborately. Corrosion inhibition ability of OPEO was characterized by electrochemical polarization, electrochemical impedance spectroscopy (EIS), and weight loss method. In the corrosive solution, OPEO worked as a mixed inhibitor and the inhibition efficiency of OPEO increased with the increase of its concentration. High inhibition efficiencies over 90% were achieved for the concentration of 3 - 4 g/L OPEO, comparable to that of 3.5 g/L urotropine (URO), a commercial corrosion inhibitor for acid media used in industry. By using adsorption isotherm models (Langmuir, Temkin and Frumkin), thermodynamic parameters of adsorption were calculated. The obtained results indicated physical adsorption mechanism of OPEO on the steel surface. The components responsible for the corrosion inhibition activity of OPEO were not only D-limonene, but also other compounds, which contain C=O, C=C, O-H, C-O-C, -C=CH and C-H bonding groups in the molecules.

• Journal of Electrochemical Science and Technology
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• 제13권1호
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• pp.138-147
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• 2022

The synergistic effect of 2-chloromethylbenzimidazole (2-CBI) and potassium iodide (KI) for mild steel in 1 M hydrochloric acid solution was investigated by potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS). The results showed that, with the addition of 100 ppm potassium iodide, the inhibition efficiecy (IE) of 100 ppm 2-CBI in 1 M hydrochloric acid had been improved from 91.14% to 96.15%. And synergistic parameter of 100 ppm 2-CBI with different amounts of potassium iodide is always greater than 1. The adsorption of potassium iodide combining with 100 ppm 2-CBI obeys to the Langmuir adsorption isotherm. Thermodynamic adsorption parameters, including ∆G⁰_ads, ∆H_a and ∆S_a of the adsorption of the combinned inhibitor, as well as the E_a of the mild steel corrosion in 1 M HCl with the combinned inhibitor, were calculated.

• 대한화학회지
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• 제56권2호
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• pp.264-273
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• 2012

Five derivatives of phenylthiourea namely: 1-(4-methoxyphenyl)-3-phenylthiourea (1), 1-(4-methylphenyl)-3- phenylthiourea (2), 1-(4-bromophenyl)-3-phenylthiourea (3), 1-(4-chlorophenyl)-3-phenylthiourea (4) and 1-phenylthiourea (5) have been evaluated as new inhibitors for the corrosion of carbon steel in 2 M HCl solution using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. Potentiodynamic polarization measurements showed that these derivatives are mixed-type inhibitors. The inhibition efficiency was found to increase with inhibitor concentration and decreases with rise in temperature. The thermodynamic parameters of adsorption and activation were determined and discussed. Nyquist plots showed depressed semicircles with their centre below real axis. The adsorption process of studied derivatives on carbon steel surface obeys Temkin adsorption isotherm. The synergistic effect of these derivatives and some anions is discussed from the viewpoint of adsorption models. The electrochemical results are in good agreement with the calculated quantum chemical HOMO and LUMO energies of the tested molecules.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.146.2-146.2
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• 2011

Molecular behaviors and crystal structures of the binary hydrates of $CH_4$ and ethanol were identified by means of 13C solid-state NMR and powder XRD methods at various concentrations of ethanol. In addition, NMR peak areas were used to calculate cage occupancies for both guest species. Obtained results showed that more $CH_4$ molecules are captured into hydrate phase per unit mass of ethanol molecules because $CH_4$ molecule can occupy sII large cages more, and pure $CH_4$ hydrate can form more as well at lower ethanol concentrations. Even though tuning phenomenon was already reported for some aqueous hydrate promoters such as THF, aqueous ethanol solutions are found to play the same tuning role in the binary clathrate hydrates in this study.

• BMB Reports
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• 제35권3호
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• pp.302-305
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• 2002

Kinetic and thermodynamic studies have been made on the effect of the inosine product on the activity of adenosine deaminase in a 50 mM sodium phosphate buffer, pH 7.5, at $27^{\circ}C$ using UV spectrophotometry and isothermal titration calorimetry (ITC). A competitive inhibition was observed for inosine as a product of the enzymatic reaction. A graphical-fitting method was used for determination of the binding constant and enthalpy of inhibitor binding by using isothermal titration microcalorimetry data. The dissociation-binding constant is equal to $140\;{\mu}M$ by the microcalorimetry method, which agrees well with the value of $143\;{\mu}M$ for the inhibition constant that was obtained from the spectroscopy method.

• Bulletin of the Korean Chemical Society
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• 제21권11호
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• pp.1085-1089
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• 2000

The effect of 2-hydroxyacetophenone-aroyl hydrazone derivatives on the inhibition of copper corrosion in 3N nitric acid solution at 303 K was investigated by galvanostatic polarization and thermometric techniques. A significant decrease in the cor rosion rate of copper was observed in the presence of the investigated compounds. The corrosion rate was found to depend on the nature and concentrations of the inhibitors. The degree of surface coverage of the adsorbed inhibitors is determined from polarization measurements, and it was found that the results obey the Frumkin adsorption isotherm. The inhibitors acted as mixed-type inhibitors, but the cathode is more polarized. The relative inhibitive efficiency of these compounds has been explained on the basis of structure dependent electron donor properties of the inhibitors and the nature of the metal-inhibitor interaction at the surface. Also, some thermodynamic data for the adsorption process ( ΔGa* and f ) are calculated and discussed.

• Bulletin of the Korean Chemical Society
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• 제21권12호
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• pp.1207-1212
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• 2000

The free energy simulation technique is used to evaluate the relative binding affinity of a set of hydroxyethylene isostere inhibitors of the HIV-1 protease. The binding reactions and an alchemical mutation construct the thermodynamic cycle, which reduces the free energy difference of the binding interactions into that of the alchemical processes. In the alchemical process, a methyl group is mutated into a hydrogen atom. Albeit the change is a small perturbation to the inhibitor-protease complex, it results in 25 fold difference in the binding constants. The simulation reproduces the experimentally measured binding affinities within 2% of the free energy difference. The protonation state of the catalytic aspartic acid residues is also investigated through the free energy simulations.

• Corrosion Science and Technology
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• 제12권2호
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• pp.65-78
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• 2013

The present investigation deals with the corrosion inhibition of mild steel in 1M $H_2SO_4$ with 1, 4-dihydro pyridine and its derivatives prepared using microwave activation method. The synthesis of inhibitor was confirmed by IR spectra. The effect of 1, 4-dihydropyridine derivatives on the corrosion inhibition of mild steel in 1M $H_2SO_4$ was studied using weight loss and electrochemical polarization techniques. Influence of temperature (303-333K) and synergistic effect of halide ions ($I^-$, $Br^-$ and $Cl^-$) on the inhibition behaviour was also studied. Corrosion products on the metal surface were analyzed by scanning electron microscopy (SEM) and a possible mechanism of inhibition by the compounds is suggested. Thermodynamic parameters were calculated using weight loss data in order to elaborate the mechanism of corrosion inhibition. Polarization measurements revealed that the studied compounds acted as mixed type inhibitor but slightly anodic in nature. Electrochemical impedance measurements revealed that the compounds were adsorbed onto the carbon steel surface and the adsorption obeyed the Langmuir adsorption isotherm. The synergistic effect of halide ions on the IE increases with increase in concentration. The IE obtained from atomic absorption spectrophotometric studies was found to be in good agreement with that obtained from the conventional weight loss method. SEM revealed the information of a smooth, dense protective layer in presence of the inhibitors.

• Korean Chemical Engineering Research
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• 제55권3호
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• pp.353-357
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• 2017

본 연구에서는 THF + 3-OH THF + $CH_4$ + $H_2O$ 시스템에서의 크러스레이트 하이드레이트의 형성 과정과 이에 따른 상 거동을 열역학 및 분광학적 방법을 통해 분석하였다. 정적 반응기에서의 온도 변화에 따라 THF와 3-OH THF를 포함하는 유기 분자들의 큰 동공 내 점유에 의해 크러스레이트 하이드레이트가 형성 및 해리되는 현상을 압력 변화를 관찰함으로써 확인하였다. 또한, 이들 유기 분자의 상대 조성에 따라 크러스레이트 하이드레이트가 안정적으로 존재할 수 있는 상평형 영역이 순수 메탄 하이드레이트 대비 보다 낮은 압력 및 높은 온도 조건으로 이동될 수 있음을 확인하였다. 엑스선 회절 분광 분석을 통해 이들 조성에서의 크러스레이트 하이드레이트는 구조-II를 형성 하는 것을 확인하였으며, 라만 분광 분석을 통해 구조-II의 큰 동공과 작은 동공에 각각 메탄이 점유되어 있음을 또한 확인하였다.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2010년도 춘계학술대회 초록집
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• pp.216.2-216.2
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• 2010

본 연구에서는 $H_2+CO_2$(40%) 혼합기체로부터 이산화탄소를 효과적으로 분리/회수 하기 위하여 가스 하이드레이트 형성법을 제안하였다. 하이드레이트의 형성 조건을 보다 완화시켜 주기 위하여 열역학적 촉진제로서 TBAB (Tetra-n-butyl Ammonium Bromide, $(C_4H_9)_4NBr$))와 THF(Tetrahydrofuran)를 각각 첨가하여 열역학적 촉진 현상을 살펴보았다. 다양한 농도의 TBAB(10, 40, 60 wt%)와 THF(1, 5.56, 10 mol%)에 대하여 3상(H - Lw - V) 평형을 측정하였다. 그 결과 40 wt%의 TBAB와 5.56 mol%의 THF의 농도에서 가장 큰 촉진효과를 보였으며 그 이상의 농도에서는 오히려 촉진효과가 줄어드는 것을 확인할 수 있었다. 이러한 결과는 혼합가스 하이드레이트 형성시 양론비 이상의 TBAB와 THF가 첨가될 경우 반응에 참여하지 못한 TBAB와 THF가 가스 하이드레이트 형성을 방해하기 때문이다. 열역학적 촉진제로서 실제공정에 적용할 경우 40 wt%의 TBAB와 5.56 mol%의 THF를 사용하는 것이 가장 효과적일 것으로 사료된다. 본 실험에서 얻어진 결과는 가스 하이드레이트 형성법을 이용한 합성가스 분리 공정 개발에 중요한 기초 자료가 될 것이다.