• Bulletin of the Korean Chemical Society
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• 제28권12호
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Bulletin of the Korean Chemical Society
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• 제32권1호
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• pp.41-48
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• 2011

The wettabilities of the partially fluorinated polymers (ethylene-tetrafluoroethylene copolymer (ETFE), ethylenechlorotrifluoroethylene copolymer (ECTFE), and poly(vinylidene fluoride) (PVDF)) were investigated by contact angle measurements. Zisman plots for ETFE and ECTFE exhibited linear relationships, while the Zisman plot for PVDF showed a slight curvature, which was interpreted to indicate strong non-dispersive interactions between the surface and the contacting liquids. The Lifshitz-van der Waals forces of the fluoropolymers were estimated to increase in the order of ETFE < PVDF $\ll$ ECTFE. An evaluation of the polar or "acid-base" interaction energies showed that PVDF, which possesses the most acidic hydrogens among the examined fluoropolymers, has the strongest acid-base interactions.

• Tribology and Lubricants
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• 제35권2호
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• pp.132-138
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• 2019

In this study, we demonstrate the effects of the acidic properties of montmorillonite (MMT), which is commonly used as a catalyst, on the conversion and selectivity of the dimer acid methyl ester (DAME) synthesis. We synthesize DAME by the dimerization of conjugated linoleic acid methyl ester (CLAME) and oleic acid methyl ester using MMT KSF. Incidentally, trimer acid methyl ester was formed as a by-product during the DAME synthesis. There is a necessity to adequately adjust the strength and quantity of the acid site to control the selectivity of DAME. Therefore, we vary the pH of the MMT acid by using various metal hydroxides. The purpose of this study is to increase the yield of monocyclic dimer acid methyl ester, which is a substance with adequate physical properties for industrial applications (e.g., lubricant and adhesive, etc.), using a heterogeneous catalyst. We report the dimerization of fatty acid methyl ester by using base treated-KSF, and apply it to conjugated soybean oil methyl ester. Then, we transmute the acid site properties of KSF, such as pH of 5 wt.% slurry KSF and various alkali metals (Li, Na, K, Ca). Characterization of base treated-KSF using a pH meter, x-ray diffraction, inductively coupled plasma-atomic emission spectrometer, Brunauer-Emmett-Teller surface analysis, and temperature-programmed desorption. We conduct an analysis of CLAME and DAME using nuclear magnetic resonance spectroscopy, gas chromatography, and gel permeation chromatography. Through these experiments, we demonstrate the effects of the acidic properties of KSF on the conversion and selectivity of the DAME synthesis, and evaluate its industrial potential by application to waste vegetable oil.

• 대한화학회지
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• 제64권1호
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• pp.30-37
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• 2020

이 연구는 산·염기 반응의 준미시적 표상화 과정에서 학생들이 부딪치는 문제점을 파악하는 것이다. 이를 위하여 다양한 산·염기 모델을 학습한 고등학교 3학년 이과 학생들 30명을 선정하였다. 학생들의 준미시적 표상화 능력을 파악하기 위하여 한 종류의 용질과 용매 상황, 두 종류의 용질과 용매 상황, 용매가 물인 경우와 물이 아닌 경우 등 다양한 맥락의 9 문항을 개발하였다. 모든 문항에서 화학변화 개념의 결여가 지속적으로 나타났다. 수용액 상황과 비수용액 맥락에서, 암모니아를 용질이나 용매로 제시한 문항에서 화학결합 개념의 결여 빈도는 높았다. 그리고 이온화도 개념 결여의 비율도 매우 높았다. 따라서 화학 교사들은 다양한 산·염기 문제를 푸는 상황에서 학생들이 부딪치는 어려움을 분석함으로써 학생들의 준미시적 표상화 능력을 높여줄 수 있다는 것을 알아야 한다.

• Asian-Australasian Journal of Animal Sciences
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• 제23권11호
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• pp.1462-1468
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• 2010

The effects of vitamin C and vitamin E with selenium on acid-base balance and some stress hormones were evaluated during heat stress in goats. Goats, 1.5 years of age, were divided into control, heat stress and antioxidant treatment groups 1, 2 and 3. Except for the control, all groups were exposed to a temperature of $40{\pm}2^{\circ}C$ with a relative humidity of 30% for 5 h/d for 21 days in a psychrometric chamber. Rectal temperature and respiratory rates were recorded daily post exposure. Blood samples were collected on every 3rd day for estimation of plasma vitamins C and E, total antioxidant activity and hormones, and separate blood samples were taken to estimate acid-base status. The rectal temperature and respiratory rates were increased (p<0.05) in the heat stress group only. Except for pH and $pO_2$, which were increased significantly (p<0.05) other parameters of acid-base balance such as $pCO_2$, $HCO_3^-$, $TCO_2$, BEb, BEcef, PCV and Hb were significantly decreased (p<0.05) in the heat stress group. An improvement in acid-base status was noted in the antioxidant supplemented groups. Prolactin and cortisol levels were significantly (p<0.05) higher and free T3 and T4 levels were significantly (p<0.05) lower in the heat stress group. Levels of prolactin and cortisol were decreased and free T3 and T4 were increased in antioxidant treatment groups. Different levels of antioxidant supplementation resulted in similar protection against heat stress.

• 대한화학회지
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• 제65권1호
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• pp.37-47
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• 2021

본 연구에서는 중등학교에서 가르치는 두 유형의 산-염기 모델에 대한 고등학교 과학영재 학생들의 모델 인지 수준을 분석하였다. 학생들의 모델 인지 수준을 알아보기 위하여 산-염기 반응과 산과 염기의 해리와 관련된 12개의 문항으로 구성된 설문지를 개발하였다. 연구 대상자는 2개의 과학영재학교에서 95명의 학생들이었다. 설문 분석 결과, 두 모델의 일치 상황, 불일치 상황, 설명할 수 없는 범위의 상황에서 모델 인지 수준은 6가지로 분석되었다. 산-염기 반응의 문항에서는 가장 많은 비율의 학생들이 두 모델을 모두 이해하는 수준이었고, 산과 염기의 해리 문항에서는 두 모델을 이해하고, 한 모델이 갖는 한계를 인식하는 '인지된 이그노런스'만 인식하는 수준이었다. 그러나 두 모델이 갖는 한계도 인식하고, 모델이 설명하지 못하는 범위인 '미인지된 이그노런스'까지 모두 인식한 학생은 단 1명 뿐이었다. 이를 통해 과학영재 학생들의 모델 인지 수준을 높이기 위한 교육적 노력이 필요함을 주장하였다.

• Bulletin of the Korean Chemical Society
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• 제25권9호
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• pp.1379-1384
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• 2004

Rearrangements of 1,3-oxathiolane sulfoxides 8 and 9 in the presence of base are described from a mechanistic viewpoint of sigmatropic and elimination reactions. In the presence of triethylamine the (Z)-sulfoxide 8 gave the corresponding thiolsulfinate 10 by way of dimerization of the sulfenic acid intermediate 2 at room temperature while the (E)-sulfoxide 9 was recovered even after refluxing in ethyl acetate by the reversal of the [2,3]-sigmatropic rearrangement of the sulfenic acid 4. Triethylamine promoted the developing charge separation in the transition state of the sigmatropic rearrangement of the (Z)-sulfoxide 8 to facilitate the ring opening to the sulfenic acid 2. The reason for more facile ring opening of the (Z)-sulfoxide 8 in comparison with the corresponding (E)-sulfoxide 9 is attributable to the differences in the reactivity of the hydrogen adjacent to the carbonyl group. Triethylamine was not strong base to deprotonate the carbonyl-activated methylene hydrogen of the (E)-sulfoxide 9 but enough to catalyze the sigmatropic process of the sulfoxides. The sulfenic acid 2 dimerized to the thiolsulfinate 10 while the sulfenic acid 4 proceeded the sigmatropic ring closure. In the presence of strong base such as potassium hydroxide, the elimination reaction was predominant over the sigmatropic rearrangement. In this reaction condition, both sulfoxides 8a and 9a gave a mixture of the disulfide 12, the isomeric disulfide 14, and the sulfinic acid 13. Under the strong alkaline condition an elimination of activated hydrogen from the carbon adjacent to the carbonyl group to furnish the sulfenic acid 2a and the isomeric sulfenic acid 18. The formation of the transient intermediate in the reaction was proven by isolation of the isomeric disulfide 14. The reactive entity was regarded as the sulfenic acid rather than sulfenate anion under these reaction conditions.

• 공업화학
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• 제8권2호
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• pp.179-190
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• 1997

준역청탄, 유연탄, 무연탄 및 국내 무연탄을 포함하는 54종의 석탄회분을 대상으로 화학조성 및 광물분석 그리고 용융온도를 측정하여 화학조성이 용융온도에 미치는 영향을 고찰하였다. 석탄회의 구성 산화물중 CaO와 MgO, 그리고 $Fe_2O_3$가 용융온도를 낮추는 산화물임을 알 수 있었다. $Fe_2O_3$에 의한 용융온도 감소 효과는 환원성분위기에서 증가되었다. 산-염기도에서 염기성분의 함량이 증가할수록 용융온도는 감소하였다. 그러나 산-염기도와 용융온도와의 상관관계는 $Fe_2O_3$/CaO비가 증가함에 따라 낮아졌다. 산화성분위기보다는 환원성분위기에서 용융온도가 낮았으며 이때 분위기 변화에 따른 용융온도차는 $Fe_2O_3$의 함량보다는 $SiO_2/Al_2O_3$비와 밀접한 상관성을 보여주었다. 석탄회의 용융온도(연화)를 예측하기 위한 다중회귀분석결과 산화성분위기에서는 Base/Acid, $Fe_2O_3$/CaO, $SiO_2/Al_2O_3$, $(SiO_2/Al_2O_3){\cdot}(Base/Acid)$ 그리고 환원성분위기에서는 Base/Acid, $Fe_2O_3$/CaO, $SiO_2$, $TiO_2$등을 독립변수로 사용함으로써 비교적 상관성이 높은 관계식을 얻을 수 있었다.

• Asian-Australasian Journal of Animal Sciences
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• 제20권5호
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• pp.742-747
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• 2007

In order to investigate the mechanism of adaptation to long-term heat stress, six female buffalo calves of about 7 to 8 months age, were exposed to the cool-comfort environment (THI 65) for 21 days to obtain normal values of blood acid-base. An adaptive response of acid-base regulation was determined to long term (21 days) exposure of buffalo calves to hot-dry (THI 80) and hot-humid (THI 84) conditions. Higher rectal temperature and respiratory rate was recorded under hot-humid exposure compared to hot-dry. Significant reduction in the rectal temperature and respiratory rate on day 21 of hot-dry exposure indicated early thermal adaptation compared to hot-humid. Decreasing rectal temperature and respiratory rate from day 1 to 21 was associated with concurrent decrease in blood pH and pCO2. Increased plasma chloride concentration with low base excess in blood and in extracellular fluid suggested compensatory response to respiratory alkalosis. Reduced fractional excretion of sodium with increased fractional excretion of potassium and urine flow rate indicated renal adaptive response to heat stress.

• Corrosion Science and Technology
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• 제21권1호
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• pp.32-40
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• 2022

The o-Vanillin - Glutamine Schiff base [2-Hydroxy-3-Methoxy BenzylidineCarbomyl) -2-Butanoic Acid] was examined for low carbon steel corrosion inhibition in acid media. Weight loss studies were carried out at three different temperatures to determine the inhibition efficiency (IE). Electrochemical impedance spectroscopy revealed that the charge transfer resistance controlled the corrosion reaction and Tafel polarization indicated that the Schiff base acts as mixed mode of inhibitor. SEM images were recorded for the surface morphology of the low carbon steel surface. DFT studies revealed corrosion control mechanisms using quantum chemical parameters such as E_HOMO, E_LUMO, energy gap (∆E), chemical Hardness (η), chemical Softness (σ), Electronegativity (χ), and the fraction of electron transferred (∆N), which is calculated using Gaussian software 09. The gas-phase geometry was fully optimized in the Density Functional Theory (DFT/B3LYP-6-31G (d)).The DFT results are in good agreement with the experimental results. All the results proved that the Schiff Base (2-Hydroxy-3-Metoxy BenzylidineCarbomyl) -2-Butanoic is a suitable alternative for corrosion inhibition of low carbon steel in acid media.