• Journal of the Korean Chemical Society
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• v.36 no.6
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• pp.796-801
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• 1992

An empirical Lewis basicity, DN, for eight mixed methanol solvents has been measured by the solvatochromic behavior of the [Cu(tmen)(acac)]$CIO_4$. The change of DN in mixed methanol solvents is not correlated with composition of the mixtures and divided into three groups: (1) dipolar aprotic solvents contribute mainly to the solvation of solute (MeOH-DMSO, MeOH-PY, MeOH-DMF), (2) two components of mixture contribute equally to the solvation of solute (MeOH-MeCN, MeOH-dioxane, MeOH-AC) and (3) methanol contributes entirely to the solvation of solute (MeOH-DCE, MeOH-TCE). The relationship between DN and Kamlet-Taft's $B_{KT}$ for mixed methanol solvents was found to agree well. These DN values also were a useful factor to analysis of reactivity for mixed methanol solvents.

• Journal of Adhesion and Interface
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• v.5 no.4
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• pp.17-23
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• 2004

In this study, we prepared the polycarbonates with various molecular weights by melt polymerization and investigated the crystallization by solvent induced crystallization. Effects of the types and compositions of solvents, crystallizing temperatures and molecular weights on crystallinity and melt temperatures of polycarbonates were evaluated by DSC, XRD and SEM. In case of low molecular weight polycarbonates and high crystallization temperature, the crystallinity of the polycarbonate was increased. As the increase of the crystallization temperature and the solution concentration, relatively uniform crystalline structures were obtained. Also, by treating with mixed solvents, the control of desired surface areas and crystallinity could be possible.

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.120-125
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• 2016

용매화 된 이온들간의 상호작용은 화학을 비롯한 여러 분야에서 중요하게 다뤄지고 있다. 계산화학에 있어 다양한 용매에 용매화 된 이온들간의 상호작용은 분자동력학 시뮬레이션(MD)을 이용한 PMF 계산을 통해 많이 연구되어 왔는데, 본 그룹에서는 물을 표현할 수 있는 다양한 모델과 Salt solution 하에 Na+ 이온과 Cl- 이온 사이 상호작용을 PMF 계산을 통해 알아보았다. 첫 번째로 Polarizable water model인 Tip4p-fq를 사용한 PMF 계산 결과는 아직 진행 중에 있으며 결과적으로는 기본적으로 CHARMM water force field에서 제공해주는 Tip3p 모델 및 양자계산 방법 중 하나인 Ab initio를 이용한 결과와 비교, 분석 할 예정이다. 두 번째로 1M/2M/5M Salt solution의 서로 다른 농도를 사용하여 시뮬레이션 한 결과 1M과 2M에서는 물 속에서 시뮬레이션 한 결과와 큰 차이가 없었으나 농도가 짙은 5M 용매 내에선 $Na^+$이온과 $Cl^-$이온 사이 거리가 멀어질수록 주변 Salt에 영향을 받는 것을 확인 할 수 있었다. 결론적으로 본 연구를 진행함으로써 우리는 서로 다른 전하를 갖는 이온 사이 상호작용에 대한 이해를 더 높일 수 있었다.

• Journal of the Korean Chemical Society
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• v.27 no.3
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• pp.178-182
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• 1983

The conductances of sodium, potassium, ammonium, tetramethylammonium, and tetraethylammonium iodides, picrates(Pic) of sodium and potassium, and tetrabutylammonium tetraphenyl-boride have been measured in ethylene carbonate-acetone mixtures at $25{\circ}C$. The limiting equivalent conductances of the electolytes were computed by Fuoss-Kraus equation and the order was $(C_4H_9)_4NB(ph)_4 at any composition of the mixtures. The dissociation constants of the salts showed that the mixtures are good ionizing solvents for the salts. The order of limiting ionic equivalent conductance, $Na^+, is consistent with exactly the reverse order found for solvation number. Effective solvated radii calibrated by the Nightingale method showed that picrate ion seems to be unsolvated and that iodide ion seems to be solvated to some extent in the mixtures.

• Polymer(Korea)
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• v.32 no.5
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• pp.483-488
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• 2008

The effect of methylene chloride/1,3-dioxolane co-solvent on the crystallization in the optical polycarbonate film was investigated. Increasing 1,3-dioxolane content in co-solvent resulted in the crystallization due to the lowering of solvent evaporation rate during film drying process. The crystallization in PC film could be minimized by either controlling of solvent composition and increasing solvent drying temperature. It was found that the surface roughness of solution casting PC film was affected by both crystallization and solvent evaporation rate. This morphological effect by alternative solvent is ascribed to a large decrease in light transmissivity on the optical PC film.

• Journal of the Korean Chemical Society
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• v.30 no.3
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• pp.265-272
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• 1986

Kinetic studies for the methanolysis of tert-butyl halides (t-BuCl, t-BuBr, t-BuI) were carried out in MeOH-1,1,2,2-tetrachloroethane mixtures. The solvatochromic comparison method was used with six indicators to analyze solvent effects on the ionizations of tert-butyl halides. It was shown that the cooperative effect of solvent polarity-polarizability was the most important factor influenced on the methanolysis rates of tert-butyl halides, but the electrophilic assistance for halide leaving group and the nucleophilic assistance for tert-butylium ion were considerably influential, too. And it was found that the electrophilic assistance caused by hydrogen bonding and the nucleophilic assistance for carbon center were stronger for more basic leaving group ($I^-) and more polarizable leaving group(t-BuCl

• Journal of the Korean Chemical Society
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• v.28 no.4
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• pp.210-216
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• 1984

Solvatochromic comparison methods were applied to determine Taft's solvent parameters, ${\pi}^{\ast}$(solvent polarity-polarizability), ${\alpha}$(solvent hydrogen bond donor acidity) and ${\beta}$ (solvent hydrogen bond acceptor basicity) for MeOH-MeCN solvent mixtures. Swain's solvent parameters A(anion solvation scale) and B(cation solvation scale) were also determined by least square fitting of kinetic data in the same binary solvent mixtures. It was found that: (i)${\beta}$ depends on the basicity of the solvent and increases with the MeOH content owing to the increase in polymeric structure of methanol; (ii) ${\pi}^{\ast}$depends on the dipole moment of the solvent and increases with the MeCN content of the solvent; (iii) ${\alpha}$ increases rapidly with the MeOH content as the hydrogen bond donor acidity of the solvent mixtures increases. Taft's reaction constants a and s and Swain's reaction constants a and b were determined for the reactions reported from our laboratory previously using solvent parameters determined in this work. No meaningful inter-relationship was found between the two set of reaction parameters, but a good linear correlation was found between the ratios a/s and a/b. Solvent effect on the reaction mechanism, substituent effect and leaving group ability were examined in the light of these reaction constants ratios.

• Journal of the Korean Chemical Society
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• v.31 no.1
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• pp.25-30
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• 1987

Solvolysis of tert-butyl halides and 1-adamantyl tosylate in methanol-acetone mixtures and solvolysis of tert-butyl bromide in methanol-chloroform mixtures have been studied. Solvent ionizing power of methanol-acetone mixtures were calculated by the Grunwald-Winstein equation and discussed the Y value variation caused by substrate changes. Y values based on 1-adamantyl tosylate is superion to others since it varies in wide range for methanol-acetone mixtures. It was found that the order of electrophilic assistance to leaving group is OTs > Cl > Br > I.

• Journal of the Korean Chemical Society
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• v.39 no.8
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• pp.589-597
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• 1995

In water-ethanol systems, the limiting equivalent conductances of electrolytes were obtained using conductometric method. Using TATB method, the limiting equivalent ionic conductances of Li+, Na+, K+, Cl-, and Br- ions were also obtained. The effective radii of corresponding ions were determined using Nightingale method. From the volume of the solvation shell, the four solvation numbers were suggested. The reasonable solvation numbers (hH2O+hO) were estimated by comparing the values obtained by from the various suggested methods. The isosolvation point of ion in water-ethanol estimated was found to be larger than that of in water-methanol. This result agree with ET (solvent polarity) values of solvents. From the reasonable solvation numbers of ions in water-ethanol, the selective solvents of corresponding ions in water-ethanol were obtained.

• Journal of the Korean Chemical Society
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• v.31 no.3
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• pp.258-270
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• 1987

A series of new thorium nitrate complexes with crown ethers have been synthesized from the reaction of the hydrated thorium nitrate, with the appropriate crown ethers of different cavity sizes in various solvents such as methanol, ethanol, butanol, methylacetate, acetone, tetrahydrofuran and acetylacetone. CHN elemental analysis, ICPAS, thermal analysis and Karl-Fischer method have been used to characterize their compositions, and the spectroscopic methods of IR, UV, $^1H-NMR$, and X-ray diffraction have been employed to determine the structures and solvolysis phenomena of these complexes. and the electrical conductances were measured in DMSO, and water solvent. The solvolysis have been observed only in the complexes synthesized in acetylacetone solvent. In the solvated complexes of 15-crown-5 and 18-crown-6, the mole ratio of $Th^{4+}$: ligand : acetylacetone is found to be 1:1:1, but in the non-solvated complexes of 12-crown-4 and 15-crown-5, the mole ratios of Th:L are 1:2 and 2:3, respectively, and that in the complexes of both 18-crown-6 and dicyclohexano-18-crown-6 is 1:1. All complexes which were not solvated have shown $n{\to}{\sigma}^{\ast}$ electronic transitions of crown ether whereas complexes solvated have exhibited both $n{\to}{\sigma}^{\ast}$ of crown ether and $n{\to}{\pi}^{\ast}$ transitions of acac. The dissociation mole ratio of $Th^{4+}$ and nitrate ion is found to be 1:1 in aprotic solvent, and 1:4 in protic solvent like water.