• Title/Summary/Keyword: partition coefficients

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The effect of Oil-aqueous phase Partition Coefficients of Phenoxyethanol according to Oils (오일이 페녹시에탄올의 유.수상 분배계수에 미치는 영향)

  • Cho, Sun-Woong;Lee, Young-Keun;Kim, Mi-Jung
    • Proceedings of the KAIS Fall Conference
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    • 2009.12a
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    • pp.390-394
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    • 2009
  • In this study, partition coefficients(Kw) of phenoxyethanol in oil-water phase according to type of oils was investigated. Partition coefficients(Kw) were experimented by classified oils that hydrocarbones, fatty alcohols, fatty acids, esters, triglycerides and silicones. It was found that partition coefficients(Kw) of hydrocarbons and silicones were low, but partition coefficients(Kw) of fatty acids, fatty alcohols, esters and triglycerides were high. It was known that the emulsions which were made of oils having low partition coefficients value had a good antimicrobial effects. Thus, the cosmetics stability of microorganisms and skin safety of phenoxyethanol could be improved by using the oils which have low partition coefficients value.

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BTEX와 액상간 분배성 알코올류 추적자의 분배특성 연구

  • Lee Seong-Su;Ju Sang-Yeon;Park Jun-Beom
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2006.04a
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    • pp.115-118
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    • 2006
  • The partitioning tracer method has been studied as an alternative method for characterizing aquifers contaminated by nonaqueous phase liquids (NAPLs). Accurate partition coefficients of tracers partitioning between NAPL and water are needed to improve the reliability of the partitioning tracer method. In this research, partition coefficients of alcohol tracers partitioning between benzene, toluene, ethylbenzene, and xylenes (BTEX) compounds and water are estimated from using the approach of equivalent alkane carbon number (EACN). General agreement was observed in between the measured and estimated partition coefficients. Based on these results we can verify that the EACN approach is suitable for estimating the partition coefficient.

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Estimating Partition Coefficients of Partitioning Tracers between Water and BTEX Mixtures (BTEX 혼합물질과 액상 간 분배성 추적자의 분배계수 예측)

  • Rhee, Sung-Su;Cho, Sang-Youn;Oh, Myoung-Hak;Park, Jun-Boum
    • Journal of Soil and Groundwater Environment
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    • v.12 no.2
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    • pp.47-54
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    • 2007
  • The partitioning tracer method has been studied as an alternative method for detecting and characterizing the distribution of nonaqueous phase liquids (NAPLs) contaminants in subsurface. The reliability of the partitioning tracer method depends on accurate measurements of partition coefficients of the partitioning tracers between water and NAPLs. In this study, partition coefficients of several alcohol tracers between water and benzene, toluene, ethylbenzene, xylene, and BTEX mixtures are estimated using the modified approach of equivalent alkane carbon number (EACN). Agreements between the measured and estimated partition coefficients were generally observed in experiments. Based on these results, it is confirmed that the partition coefficients of tracers are readily obtained without experiments if the EACN values for the tracers and LNAPLs are known.

Determination and Temperature Dependence of n-Octanol/Water Partition Coefficients for Seven Sulfonamides from (298.15 to 333.15) K

  • Congliang, Zhang;Yan, Wang;Fuan, Wang
    • Bulletin of the Korean Chemical Society
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    • v.28 no.7
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    • pp.1183-1186
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    • 2007
  • A shake-flask method was used to determine the n-octanol/water partition coefficients of sulfamethazine, sulfadimethoxine, sulfamethoxydiazine, sulfamonomethoxine, sulfamethoxazole, sulfaquinoxaline and sulfachloropyrazine from (298.15 to 333.15) K. The results showed that the n-octanol/water partition coefficient of each sulfonamide decreased with the increase of temperature. Based on the fluid phase equilibrium theory, the thermodynamic relationship of n-octanol/water partition coefficient depending on the temperature is proposed, and the changes of enthalpy, entropy, and the Gibbs free energy function for sulfonamides partitioning in n-octanol/ water are determined, respectively. Sulfonamides molecules partitioning in n-octanol/water is mainly an enthalpy driving process, during which the order degrees of system increased. The temperature effect coefficient of n-octanol/water partition coefficient is discussed. The results show that its magnitude is the same as that of values in the literature.

AN EXTENSION OF REDUCTION FORMULA FOR LITTLEWOOD-RICHARDSON COEFFICIENTS

  • Cho, Soo-Jin;Jung, Eun-Kyoung;Moon, Dong-Ho
    • Journal of the Korean Mathematical Society
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    • v.47 no.6
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    • pp.1197-1222
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    • 2010
  • There is a well-known classical reduction formula by Griffiths and Harris for Littlewood-Richardson coefficients, which reduces one part from each partition. In this article, we consider an extension of the reduction formula reducing two parts from each partition. This extension is a special case of the factorization theorem of Littlewood-Richardson coefficients by King, Tollu, and Toumazet (the KTT theorem). This case of the KTT factorization theorem is of particular interest, because, in this case, the KTT theorem is simply a reduction formula reducing two parts from each partition. A bijective proof using tableaux of this reduction formula is given in this paper while the KTT theorem is proved using hives.

Organic Pollutant Transport in Unsaturated Porous Media by Atmospheric Breathing Processes( I ) - Partition Coefficient -

  • Ja-Kong;Lim, Jae-Shin;Do, Nam-Young
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 1996.11a
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    • pp.50-53
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    • 1996
  • This paper reports the experimental results for the determination of the overall partition coefficient of VOCs in unsaturated soil, A chromatographic method was used for the determination of gaseous partition coefficients to natural soil under various water content conditions. The equilibrium vapor pressure of water over saturated salt solution was used to fix the relative humidity of the air and control the water content of the soil systems. The transport behavior was studied for dichloromethane, trichloroethane and dichlorobenzene pollutants, with log octanol-water partition coefficients(log $K_{ow}$ ) which range from 1.25 to 3.39, or water to soil partitioning which varies by 135 times; water solubility constants which vary by 3 times; and vapor pressures which range from 1 to 362 torr. Water content of the soil had a pronounced effect on the effective partition coefficient(between gas and soil + water stationary phase) as well as on the effective dispersion coefficient.

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Applicability of the HPLC Method for the Estimation of Octanol/water Partition Coefficient to Pesticides of Domestic Use (국내 사용 농약을 대상으로 한 HPLC 방법에 의한 옥탄올/물 분배계수 추정법의 적용성 검토)

  • Kim, Kyun;Kwon, Jin-Wook;Kim, Yong-Hwa
    • Environmental Analysis Health and Toxicology
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    • v.16 no.4
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    • pp.189-196
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    • 2001
  • Octanol/water partition coefficients of 52 chemicals were calculated using RP-HPLC estimation method and predicted by computer program, PCHEM. The result showed relationship between literature values and RP-HPLC observed values (relative coefficient r$^2$=0.916), but the relationship of PCHEM values with literature values was lower than RP-HPLC value (relative coefficient r$^2$=0.795). The average difference in partition coefficient between the RP-HPLC method and flask-shaking method was log Kow=0.54, while the average difference between the values predicted form the computer program and flask- shaking method was log Kow = 0.36 Compared to octanol/water partition coefficients by 3 methods (Flask-shaking, RP-HPLC, computer prediction), the octanol/water partition coefficient values based on the flask-shaking method were very similar to the literature values, while the octanol/water partition coefficient values by RP-HPLC method without to consider the dead time, and computer prediction values did not significantly differ with the literature values.

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Cadmium Adsorption and Exchangeable Cations Desorption in Soils: Effects of pH and Organic Matter Content (토양에서 카드뮴의 흡착과 치환성양이온의 탈착 : pH와 유기물함량의 영향)

  • 박병윤;신현무
    • Journal of Environmental Science International
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    • v.5 no.2
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    • pp.243-252
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    • 1996
  • In order to investigate the effects of pH and organic matter content on cadmium adsorption and exchangeable cations desorption in soils, the adsorption isotherms of cadmium and the desorption isotherms of calcium and magnesium on four New jersey soils at four pH values were plotted, and the cadmium partition coefficients (Kd) were also calculated. The slopes of cadmium adsorption isotherms dramatically increased with increasing solution pH. Judging from Langmuir adsorption equations, the maximum adsorption quantities(b) of cadmium at high pH values were much greater than those at low pH values for the same soil. The partition coefficients increased greatly with increasing solution pH. The slopes of regression equations between partition coefficients and pH values were steep in the order of the organic matter content of the soils. The correlation coefficients (r2) between partition coefficient and organic matter content for soils. The correlation coefficients (r2) between partition coefficient and organic matter content for $1\times10^{-4}$M increased from 0.3027 at pH 4.0 to 0.9964 at pH 8.5 and from 0.2093 at pH4.0 at 0.9657 at pH 8.5 for$2\times10^{-4}$M ${Cd(NO_3)}_2$. The desorption quantities of calcium and magnesium decreased with increasing solution pH and increased with- increasing cadmium adsorption.

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A Study of the Gas Liquid Partition Coefficients of Eleven Normal, Branched and Cyclic Alkanes in Sixty Nine Common Organic Liquids: The Effect of Solute Structure

  • Cheong, Won-Jo
    • Bulletin of the Korean Chemical Society
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    • v.23 no.3
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    • pp.459-468
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    • 2002
  • Literature data measured by the author have been processed to report on the effect of solute structure on gas liquid partition coefficients of eleven normal, branched and cyclic alkanes ranging in carbon number from five to nine in sixty nine low molecular weight liquids. The alkane solutes are n-pentane(p), n-hexane(hx), n-heptane(hp), n-octane(o), n-nonane(n), 2-methylpentane(mp), 2,5-dimethylpentane(dp), 2,5-dimethylhexane(dh), 2,3,4-trimethylpentane(tp), cyclohexane(ch), and ethylcyclohexane(ec). The solvent set encompasses most of those studied by Rohrschneider as well as three homologous series of solvents (n-alkanes, 1-alcohols and 1-nitriles) and several perfluorinated alkanes and highly fluorinated alcohols. An excellent linear relationship was observed between lnK and the carbon number of n-alkanes. The effective carbon numbers of branched and cyclic alkanes were determined in a similar fashion to the method of Kovats index. We found that the logarithm of solute vapor pressure multiplied by solute molar volume was a perfect descriptor for the linear relationship with the median effective carbon number.

Thermodynamic Model for Partition Coefficients in the Two Protein Systems

  • Jung, Chang-Min;Bae, Young-Chan;Kim, Jae-Jun
    • Macromolecular Research
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    • v.15 no.7
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    • pp.682-687
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    • 2007
  • The equation of state developed herein is predicated on a hard-sphere reference with perturbations introduced via a potential function to account for electrostatic forces and for attraction between protein particles. During this process, the generalized Lennard-Jones (GLJ) pair potential function is employed. The GLJ pair potential function is employed to represent the protein-protein interaction in two-protein systems. Via the use of the relation between the equation of state and the chemical potential, the phase behavior in the aqueous two-protein system can be estimated. The partition coefficients can be obtained via these processes. The calculated values of the coefficients agree fairly well with the experimental data in the given pH and ionic strength range, with no additional adjustable model parameters.