• Bulletin of the Korean Chemical Society
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• v.22 no.9
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• pp.989-993
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• 2001

The carbonyl stretching vibration, νC=O of 2-cyclohexene-1-one, is in Fermi resonance with a combination tone. The amount of Fermi resonance interaction between these two modes is dependent upon the amount of solute/solvent interaction due to hyd rogen bonding between the carbonyl oxygen and the solvent proton. The corrected νC=O frequency of 2-cyclohexene-1-one occurs at a lower frequency than the observed νC=O mode of cyclohexanone, possibly caused by expanded conjugation effects. The carbonyl stretching modes of cyclic ketones were also affected by interaction with the ROH/CCl4 mixed solvent system.

• Bulletin of the Korean Chemical Society
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• v.23 no.1
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• pp.65-70
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• 2002

We have evaluated the specific hydroxyl group-solvent and carbonyl group-solvent interactions by using an Alltima C18 stationary phase and by measuring the retention data of carefully selected solutes in 60/40, 70/30, and 80/20(v/v%) acetonitrile/water eluents at 25, 30, 35, 40, 45, and 50 oC. The selected solutes are phenol, acetophenone, alkylbenznes(benzene to hexylbenznene), 4 positional isomers of phenylbutanol, 5-phenyl-1-pentanol, 3 positional isomers of alkylarylketone derived from butylbenzene, and 1-phenyl-2-hexanone. The magnitudes of hydroxyl group-acetonitrile/water specific interaction enthalpies are larger than those of carbonyl group-acetonitrile/water specific interaction enthalpies in general while the magnitudes of carbonyl group-methanol/water specific interaction enthalpies are larger than those of hydroxyl group-methanol/water specific interactions. We observed clear discrepancies in functional group-solvent specific interaction among positional isomers. The variation trends of solute transfer enthalpies and entropies with mobile phase composition in the acetonitrile/water system are much different from those in the methanol/water system. The well-known pocket formation of acetonitrile in aqueous acetonitrile mixtures has proven to be useful to explain such phenomena.

• Bulletin of the Korean Chemical Society
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• v.1 no.4
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• pp.138-143
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• 1980

Hydrogel membranes were prepared by copolymerizing 2-hydroxyethyl methacrylate (HEMA) and N-vinyl-2-pyrrolidone (VP) in the presence of the solvent and the crosslinker tetraethyleneglycol dimethacrylate (TEGDMA). By changing the monomer composition and the crosslinker content, different membranes were synthesized. Using these membranes, relative permeabilities and distribution coefficients for amides including urea were measured. The water contents in membrane were also measured. On the basis of solute-membrane matrix interaction, the results were interpreted.

• Bulletin of the Korean Chemical Society
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• v.16 no.7
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• pp.574-577
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• 1995

Solvatochromic effect and hydrogen bonding interaction of NPNOH, NPNO- and NPNOR were investigated. Electronic transition energies of the dyes were plotted against empirical solvent polarity parameters, Taft's π* and Reichardt's ET(30). Good correlations were observed when the excitation energies were plotted against the energy calculated by multiple linear regression method which was developed by Taft. There is an intrinsic difference between betaine for ET(30) polarity scale and the azoderivative, which is derived from the specific hydrogen bond incurred with probe molecules and solvents. The hydrogen bonding plays a very important role for stabilization of an excited state molecule by solvents especially when a solute possesses a negative charge as with NPNO-.

• Bulletin of the Korean Chemical Society
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• v.10 no.3
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• pp.309-314
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• 1989

The interaction energies of Xenon in n-alkanes were estimated by using three models for the cavity formation process, Hildebrand's regular solution theory, Pierotti's scaled particle theory and Sinanoglu-Reiss-Moura-Ramos' solvophobic theory in an attempt to examine the validity of three models. It appears that Pierotti's implementation of scaled particle theory yields a reasonable estimate of cavity formation energy over a considerable range in solvent size provided that the solute is spherical enough as are the inert gases.

• Journal of Korea Soil Environment Society
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• v.1 no.2
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• pp.73-81
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• 1996

The self-diffusion coefficients of chloride and tritiated water ranged from 4.8 $\times$ 10-7 to 7.2 $\times$ 10-7 cm2/sec and 5.5 $\times$ 10-5 to 1.6 $\times$ 10-4 cm2/sec for three different depths of soil constituents at about 50% water content by volume, respectively Mobility of solute and water was conducted under steady-state flow conditions in a field soil consisting of 70 cm of clay to silty clay over a medium sand. A steady-state water flow conditions was maintained by applying irrigation water at a constant flux of 2cm per day. The water labeled with chloride and tritium was leached into the plot during the steady-state condition for 87 days. The positions of tritium and chloride as a function of soil depth and the time was measured by extracting samples of the soil solution with suction probes. Extremes in solute displacement occurred at equal and different depths within the plot. An analysis of these measurements indicated the observations of the pore-water velocity and the apparent diffusion coefficient were log normally disturbed. Twenty-four soil suction probes, used to identify the rate at which a solute was displaced in the soil, will yield an estimate of the mean pore-water velocity of this soils within a range of approximately 5% of its true value providing the effects of potential solute-soil interaction are taken into account.

• Transactions of the Korean Society of Mechanical Engineers
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• v.18 no.7
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• pp.1818-1832
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• 1994

Transport process during solidification of an AI-CU alloy in a vertical annular mold of which inner wall is cooled is numerically simulated. A model which can take account of local density dependence on the solute concentration is established and incorperated in the analysis. Results show that thermally and solutally induced convections are developed in sequence, so that there is little interaction between them. Thermal convection effectively removes the initial superheat from the melt and vanishes as solidification proceeds from the cooling wall. On the other hand, solutal convection which is developed later over the meshy and the pure liquid regions leads to large-scale redistribution of the consituents. The degree of the initial superheating hardly affects overall solidification behavior except the early stage of the process, when the cooling rate is kept constant. Macrosegregation is reduced remarkably with increasing cooling rate, because not only the liquidus interface advances so quickly that time available for the solute transport is not enough, but also the interdendritic flow is strongly damped by rapid crystal growth within the mushy region.

• Journal of the Korean Chemical Society
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• v.56 no.4
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• pp.416-423
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• 2012

Using time domain reflectometry, the complex dielectric spectra between 10 MHz to 20 GHz has been measured in the whole composition range at 10, 20, 30 and $40^{\circ}C$ for the binary mixtures of ethylene glycol and dimethyl sulfoxide. For all the mixtures, only one dielectric loss peak was observed in this frequency range. The relaxation in these mixtures can be described by a single relaxation time using the Debye model. A systematic variation is observed in dielectric constant (${\varepsilon}_0$) and relaxation time (${\tau}$). The excess permittivity (${\varepsilon}^E$), excess inverse relaxation time $(1/{\tau})^E$, Kirkwood correlation factor (g) and thermodynamic parameters viz. enthalpy of activation (${\Delta}H$) and Gibbs free energy of activation (${\Delta}G$) have been determined, to confirm the formation of hydrogen bonded homogeneous and heterogeneous cooperative domains, the dynamics of solute - solute interaction and the hindrance to molecular rotation in the hydrogen bonded glass forming ethylene glycol - dimethyl sulphoxide system.

• Bulletin of the Korean Chemical Society
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• v.24 no.1
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• pp.55-59
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• 2003

This work is focused on analyzing ion-pair interactions and showing the effect of solvent induced inter-atomic attractions in various dielectric environments. To estimate the stability of ion-pairs, SCI-PCM ab initio MO calculations were carried out. We show that the solvent-induced attraction or ‘cavitation' energy of the ion-pair interactions in solution that arises mainly from the stabilization of the water molecules by the generation of an electrostatic field. In fact, even the strong electrostatic interaction characteristic of ion-pair interactions in the gas phase cannot overcome the destabilization or reorganization of the water molecules around solute cavities that arise from cancellation of the electrostatic field. The solvent environment, possibly supplemented by some specific solvent molecules, may help place the solute molecule in a cavity whose surroundings are characterized by an infinite polarizable dielectric medium. This behavior suggests that hydrophobic residues at a protein surface could easily contact the side chains of other nearby residues through the solvent environment, instead of by direct intra-molecular interactions.

• Bulletin of the Korean Chemical Society
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• v.13 no.1
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• pp.75-79
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• 1992

Differences in chromatographic properties in RPLC of four brands of cyano bonded silica stationary phases are rationalized in terms of the type and relative strength of the solute-stationary phase interactions, which can be readily inferred from multiple linear regression analyses of retention data for a set of standard compounds on the stationary phases under study based on the linear solvation energy relationships (LSERs). Although four brands of cyano bonded columns studied (CPS-Hypersil, Ultrasphere cyano, Spherisorb-CN and ${\mu}$-Bondapak-CN) have similar bonding density and have been prepared from monofunctional cyanopropylsilane reagents, they possess quite different, relative hydrogen bonding (HB) donor and acceptor strengths. Comparison of the retention behavior on a cyano-bonded silica column with that on an ODS column shows that there are significant differences in the strength of HB interactions between the solute and the stationary phase on the two columns with different functionalities. Information on the differences in the interaction characteristics among brands of the cyano-bonded silica columns and between the ODS and cyano-bonded columns can be utilized to optimize the selectivity for a given separation on these columns.