• Title/Summary/Keyword: Binary mixtures

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Correlation of the Rates of Solvolyses of 4-Methylthiophene-2-carbonyl Chloride Using the Extended Grunwald-Winstein Equation

  • Choi, Ho-June;Koo, In-Sun
    • Bulletin of the Korean Chemical Society
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    • v.33 no.2
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    • pp.499-504
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    • 2012
  • The specific rates of sovolysis of 4-methylthiophene-2-carbonyl chloride (1) have been determined in 26 pure and binary solvents at $25.0^{\circ}C$. Product selectivities are reported for solvolyses of 1 in aqueous ethanol and methanol binary mixtures. Comparison of the specific rates of solvolyses of 1 with those for p-methoxybenzoyl chloride (2) in terms of linear free energy relationships (LFER) are helpful in mechanistic considerations, as is also treatment in terms of the extended Grunwald-Winstein equation. It is proposed that the solvolyses of 1 in binary aqueous solvent mixtures proceed through an SN1 and/or ionization (I) pathway rather than through an associative $S_N2$ and/or addition-elimination (A-E) pathway.

Acute toxicity of four alkylphenols (3-tert-butyl-, 2-isopropyl-, 3-propropyl-, and 4-isopropyl-phenol) and their binary mixtures to Microtox, with comparisons to Ceriodaphnia dubia and Pimephales promelas

  • Park, Kyungho;Leonard I. Sweet;Brian E. Olseski;Peter G. Meier
    • Proceedings of the Korean Environmental Health Society Conference
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    • 2003.06a
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    • pp.158-161
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    • 2003
  • Toxicity evaluations of 3-tert-butyl-, 2-isopropyl-, 3-isopropyl- and 4-propyl-phenol and their binary mixtures were performed with the Microtox$\^$(R) / assay and compared to invertebrates and fish. The single chemical, 4-isopropylphenol, exhibited the greatest relative toxicity to the Microtox organism (Vibrio fischeri). The relative electrophilicity (LUMO) of the phenols, in contrast to the lipophilicity (Log P), was strongly correlated with toxicity to V fischeri (r$^2$=0.96, p<0.01). In contrast, relative electrophilicity alone could not explain variances in toxicity of the phenols to Ceriodaphnia dubia. Results suggest that electrophilicity in conjunction with lipophilicity provide better correlation with toxicity to C. dubia and Pimephales promelas. Microtox results from the binary mixture toxicity tests of selected phenolics indicate a mechanism of interaction governed by suppression/antagonism.

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Study of Kinetics of Bromophenol Blue Fading in Alcohol-Water Binary Mixtures by SESMORTAC Model

  • Samiey, Babak;Alizadeh, Kamal;Mousavi, Mir Fazlolah;Alizadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • v.26 no.3
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    • pp.384-392
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    • 2005
  • Solvent effects on the kinetics of bromophenol blue fading have been investigated within a temperature range in binary mixtures of methanol, ethanol, 1-propanol, ethylene glycol and 1,2-propanediol with water of varying solvent compositions up to 40% by weight of organic solvent component. Correlation of logk with reciprocal of the dielectric constant was linear. Finally a mechanism was proposed for the bromophenol blue fading upon SESMORTAC (study of effect of solvent mixture on the one-step reaction rates using the transition state theory and cage effect) model, by means of this model, the fundamental rate constants of the fading reaction in these solvent systems were calculated.

Yield and Species Composition of Binary Mixtures of Kura Clover with Kentucky Bluegrass, Orchardgrass, or Smooth Bromegrass

  • Kim, B.W.;Albrecht, K.A.
    • Asian-Australasian Journal of Animal Sciences
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    • v.21 no.7
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    • pp.995-1002
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    • 2008
  • Kura clover (Trifolium ambiguum M. Bieb.) is a rhizomatous perennial legume that has potential as a forage crop in the North-Central USA because of its excellent persistence under environmental extremes. Little information is available about defoliation effects on productivity of mixtures of kura clover with grasses typically grown in this region. Two field trials were conducted to evaluate the effects of defoliation management on yield and species composition of binary mixtures of 'Rhizo' kura clover with 'Comet' orchardgrass (Dactylis glomerata L.), 'Badger' smooth bromegrass (Bromus inermis Leyss.), 'Park' Kentucky bluegrass (Poa pratensis L.), and solo-seeded kura clover near Arlington, WI. Three harvest schedules (three, four, or five times annually) and two cutting heights (4 or 10 cm) were imposed. Infrequent defoliation and lower cutting height produced significantly greater total forage yield, 6.6, 5.8, and 5.2 Mg/ha in 3-, 4-, and 5-harvest systems, respectively; and 6.5 and 5.2 Mg/ha for the 4- and 10-cm cutting height, respectively. Averaged over 3 yr and two environments, mixtures had higher forage productions than solo kura clover (6.3, 5.7, and 6.0 Mg/ha for the Kentucky bluegrass, orchardgrass, and smooth bromegrass mixtures, respectively; compared to 5.2 Mg/ha for solo kura clover). The proportion of kura clover in mixtures increased from yr 1 to yr 2 and was constant from yr 2 to yr 3 (34, 58, and 57%, respectively). We conclude that kura clover has excellent potential as a long-term component of grass-legume mixtures regardless of the cutting height, harvest frequency or grass species, even though the proportion of kura clover in harvested forage was significantly greater with less frequent harvest and shorter cutting height of all mixtures.

Gibbs Ensemble Monte Carlo Simulation for Vapor-Liquid Equilibrium of Binary Mixtures $CO_2/C_3H_8$, $CO_2/CH_3OCH_3$, and $CO_2/CH_3COCH_3$

  • Mun, Seong Du;Mun, Byeong Gi
    • Bulletin of the Korean Chemical Society
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    • v.21 no.11
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    • pp.1133-1137
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    • 2000
  • Gibbs ensemble Monte Carlo simulations were performed to calculate the vapor- liquid coexistence properties for the binary mixtures $CO_2/C_3H8$, $CO_2/CH_3OCH_3$, and $CO_2/CH_3COCH_3.$ For all the molecules the potential between sites in different molecules was simply calculated by the Lennard-Jones potential. Density of the mixture, composition of the mixture, the pressure-composition diagram, the chemical potential of component, and the radial distribution function were calculated at vapor- liquid equilibrium. The composition and the density of both vapor and liquid from simulation agreed considerably well with the experimental values over a wide range of pressures. The radial distribution functions in the liquid mixtures showed that $CO_2$ molecules tended to form cluster with each other and $C_3H8$ molecules also aggregated each other due to the weak interaction between $CO_3$ and $C_3H8$ molecule. However the interaction potentials between the same components were similar to those between the different components in the liquid mixtures $CO_2/CH_3OCH_3$ and $CO_2/CH_3COCH_3$.

Swelling Properties of Poly(ethylene terephthalate) Fiber in Mixed Solvent(I) -Rate of Swelling- (혼합용매중에서의 Poly(ethylene terephthalate) 섬유의 팽윤성(I) -팽윤속도-)

  • 이문철;박병기;조현혹
    • Textile Coloration and Finishing
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    • v.6 no.3
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    • pp.37-43
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    • 1994
  • Commercial Poly(ethylene terephthalate) (PET) filaments were treated in solvents mixtures such as benzyl alcohol/perchloroethylene(BA/PER), benzyl alcohol/trichloroethylene(BA/TRI), benzyl alcohol/ethylene chloride(BA/EC), metha nol/perchloroethylene(ME/PER), and methanol/trichloroethyle(ME/TRI). Swelling of PET in solvent mixtures showed rapidly in the middle range of mixture ratio. Contribution of swelling of each component to total swelling of binary mixtures with increasing treated time was generally showed in proportion to the mixture ratio of the each component in dependence of the extend of swelling.

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Densities, Viscosities and Excess Properties of 2-Bromopropane - Methanol Binary Mixtures at Temperature from (298.15 to 318.15) K (298.15~318.15 K 에서 2-브로모프로판-메탄올 이성분 혼합물의 밀도, 점성도, 여분 성질)

  • Li, Hua;Zhang, Zhen;Zhao, Lei
    • Journal of the Korean Chemical Society
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    • v.54 no.1
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    • pp.71-76
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    • 2010
  • The densities and viscosities of 2-bromopropane-methanol binary mixtures had been determined using an digital vibrating U-tube densimeter and Ubbelohde capillary viscometer respectively from (298.15 to 318.15) K. The dependence of densities and viscosities on temperature and concentration had been correlated. The excess molar volume and the excess viscosity of the binary system were calculated from the experimental density and viscosity data. The excess molar volumes were related to compositions by polynomial regression and regression parameters and total RMSD deviations were obtained; the excess viscosities was related to compositions by Redlich-Kister equation and regression coefficients and total RMSD deviation of the excess viscosity for 2-bromopropane and methanol binary system were obtained. The results showed that the model agreed very well with the experimental data.

Binary Mixture Toxicity of AROCLOR 1248, Oleic Acid, and Elemental Sulfur to Vibrio fischeri Luminescence

  • Kalciene, Virginija;Dabkeviciene, Daiva;Cetkauskaite, Anolda
    • Journal of Environmental Science International
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    • v.24 no.11
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    • pp.1541-1546
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    • 2015
  • The objective of this research was to evaluate the toxicity of the industial xenobiotic Aroclor 1248 (A) and natural origin substances~elemental sulfur (S80) and oleic acid (OA) and their binary mixtures to V. fischeri bioluminescence during the prolonged exposure time (up to 60 min). The bioluminescence quenching test was used to determine the toxic effects. Full factorial experiment design and multiple regression analysis and the comparison of binary mixture effect with the sum of effects of individual chemicals were used for the evaluation of combined effects of toxicants. The analysis of general trend of mixture toxicity to bioluminescence showed that mixture toxic effects were reversible up to 60 min. Data analysis revealed different joint effects, which were depended on mixture composition. S80 enhanced toxic effect of A and acted additively with synergistic interaction. Hydrophobic OA in mixture with A acted antagonistically and in mixture with sulfur caused an additive effect with antagonistic component of interaction. It was concluded that low concentrations of natural toxic substances present in environmental samples as mixtures of chemicals can define the toxicodynamic character of industrial xenobiotics.