• Title, Summary, Keyword: Hildebrand parameter

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Relationship between Surface Tension and Solubility Parameter of Polymers (고분자의 표면장력과 용해도 파라미터와의 관계)

  • 하완식;한동수
    • Textile Science and Engineering
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    • v.22 no.2
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    • pp.51-60
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    • 1985
  • Relationships between surface tension and solubility parameter and between critical surface tension and dispersion component of solubility parameter of polymers were determined by using a modified Hildebrand-Scott equation, in which relation factors are fixed as 2.04 and 1.85, respectively. Poly(ethylene) (PE), non-polar, nylon 6, strongly polar, and PET, weakly polar, were used as model polymers. The polymer films having different crystallinity were prepared by annealing, and their surface tension, including dispersion and polar components were determined from the contact angle data by Kaelble method. The solubility parameter components of the polymer films were calculated from the modified Hildebrand-Scott equation. In addition the effect of crystallinity on the solubility parameter was examined in relation to the crystal structural and conformational changes of the polymer films.

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Effect of Physicochemical Properties of Solvents on Microstructure of Conducting Polymer Film for Non-Volatile Polymer Memory

  • Paik, Un-Gyu;Lee, Sang-Kyu;Park, Jea-Gun
    • JSTS:Journal of Semiconductor Technology and Science
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    • v.8 no.1
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    • pp.46-50
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    • 2008
  • The effect of physicochemical properties of solvents on the microstructure of polyvinyl carbazole (PVK) film for non-volatile polymer memory was investigated. For the solubilization of PVK molecules and the preparation of PVK films, four solvents with different physicochemical properties of the Hildebrand solubility parameter and vapor pressure were considered: chloroform, tetrahydrofuran (THF), 1,1,2,2-tetrachloroethane (TCE), and N,N-dimehtylformamide (DMF). The solubility of PVK molecules in the solvents was observed by ultravioletvisible spectroscopy. PVK molecules were observed to be more soluble in chloroform, with a low Hildebrand solubility parameter, than solvents with higher values. The aggregated size and micro-/nano-topographical properties of PVK films were characterized using optical and atomic force microscopes. The PVK film cast from chloroform exhibited enhanced surface roughness compared to that from TCE and DMF. It was also confirmed that the microstructure of PVK film has an effect on the performance of non-volatile polymer memory.

Effect of chemical and physical structure on partitioning behavior of representative printing ink solvents and various food ingredients (식품 성분과 식품 포장용 인쇄 잉크 용매의 화학적 구조가 분배작용에 미치는 영향)

  • An, Duek-Jun
    • KOREAN JOURNAL OF PACKAGING SCIENCE & TECHNOLOGY
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    • v.10 no.1
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    • pp.7-14
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    • 2004
  • Migration behavior of selected solvents and food samples showed differences of the chemical structures and polarities, the food samples which have similar polar expresses more higher affinity than different polar degrees. Water which is polar has a highest partitioning coefficient values on polar isopropanol, and oil which is nonpolar has highest partitioning value on non-polar toluene. The increasing order of partitioning values was accord with increasing water contents in food samples. It is showed that the wheat flour with 13.2% moisture content has the highest partitioning coefficient values on the isopropanol with -OH. Kp value of sugar showed remarkable lower partitioning coefficient values than other food samples due to high degree crystallinity. This phenomenon can be predictable with ${\delta}$ values, because order of partitioning coefficient values which comes out through the experiment and the sequence of Hildebrand solubility parameter value difference between food sample and printing ink solvent correspond almost. This Hildebrand solubility parameter value can be easily applied to the food package industry because the effect of food-safety can be considered without passing through complicated steps by using this method.

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Retention of Benzoic Acids in RPLC (역상액체크로마토그래피에서 벤조산류의 머무름)

  • Lee, Jae-Seok;Choi, Beom-Suk
    • Analytical Science and Technology
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    • v.13 no.3
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    • pp.269-276
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    • 2000
  • Chromatographic retention mechanism of seven benzoic acids in RPLC were investigated. Inorganic salt is pertinent for the measurement of dead time in benzoic acid. Logarthims of capacity factor (log k') and Hildebrand solubility parameter (${\delta}$) showed proportional relationship which imply the hydrophobic effect of the retention mechanism in RPLC. Enthalpies of solute transfer showed inverse proportion to temperature and organic modifier ratio of the mobile phase. It was found that the S value showed positive slope in plot of log k' vs. volume fraction of water in mobile phase. Free energy change increases with increasing organic volume fraction. The hydrophobicity index, ${\varphi}_0$(organic volume fraction) is inversely proportional to column temperature.

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Partitioning Behavior of Selected Printing Ink Solvents between Headspace and Chocolate Cookie Samples

  • An, Duek-Jun
    • Preventive Nutrition and Food Science
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    • v.16 no.3
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    • pp.267-271
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    • 2011
  • Static Headspace Gas Chromatographic analysis was used to study the partitioning behavior of five organic printing ink solvents between chocolate cookie/air systems. Three cookie sample formulations varied with respect to chocolate type and overall percentage of constituents. Major considerations involved differences in fat content and type and resulting variability in chemical and physical structure. Each of the solvents studied (ethyl acetate, hexane, isopropanol, methyl ethyl ketone, toluene) represents a general class of printing ink solvents based on predominate functional group. Values of the partitioning coefficient (Kp) were determined at equilibrium using measured quantities of both solvent and cookie sample in closed systems at temperature of 25, 35, and $45^{\circ}C$. In each of the three cookies at the three test temperatures, toluene always exhibited the greatest value of partitioning to cookie and hexane always exhibited the least. Results also showed that the partitioning behavior of solvents is generally inversely related to temperature and that solvent affinity, though constant for a particular cookie type over all test temperatures, varies significantly among the three cookie types. The preference of each of the five solvents for each cookie sample was also found to vary with temperature. No correlation was found between the extent of partitioning and cookie formulation or physical characteristic of solvent. The Hildebrand parameter, related to ${\Delta}Hmix$ (heat of mixing), may be used to describe differences in partitioning based on the overall potential of a solvent/cookie interaction to occur. The potential for interaction is dependent upon the chemical structure of the cookie sample and thus the availability of 'active-sites' required for a given solvent.

Prediction of Solvent Effects on Rate Constant of [2+2] Cycloaddition Reaction of Diethyl Azodicarboxylate with Ethyl Vinyl Ether Using Artificial Neural Networks

  • Habibi-Yangjeh, Aziz;Nooshyar, Mahdi
    • Bulletin of the Korean Chemical Society
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    • v.26 no.1
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    • pp.139-145
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    • 2005
  • Artificial neural networks (ANNs), for a first time, were successfully developed for the modeling and prediction of solvent effects on rate constant of [2+2] cycloaddition reaction of diethyl azodicarboxylate with ethyl vinyl ether in various solvents with diverse chemical structures using quantitative structure-activity relationship. The most positive charge of hydrogen atom (q$^+$), dipole moment ($\mu$), the Hildebrand solubility parameter (${\delta}_H^2$) and total charges in molecule (q$_t$) are inputs and output of ANN is log k$_2$ . For evaluation of the predictive power of the generated ANN, the optimized network with 68 various solvents as training set was used to predict log k$_2$ of the reaction in 16 solvents in the prediction set. The results obtained using ANN was compared with the experimental values as well as with those obtained using multi-parameter linear regression (MLR) model and showed superiority of the ANN model over the regression model. Mean square error (MSE) of 0.0806 for the prediction set by MLR model should be compared with the value of 0.0275 for ANN model. These improvements are due to the fact that the reaction rate constant shows non-linear correlations with the descriptors.

The Relationship Between the Permeation Rate and the Solubility Parameter for Polyethylene-n-Hexane-Benzene System in Pervaporation (폴리에틸렌-n-헥산-벤젠계에 대한 투과속도와 용해도 파라메타 사이의 관계)

  • Rhim, Ji-Won
    • Membrane Journal
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    • v.3 no.3
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    • pp.136-139
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    • 1993
  • It is well known that the membrane permeation in pervaporation is governed by both the chemical nature of the membrane material and the physical structure of the membrane and also the separation can be achieved by differences in either solubility, size or shape. The solubility of the penerrant in the polymeric membrane can be described qualitively by applying the Hildebrand relation [1] which relates the energy of mixing of the penerrant and the polymer material. Froehling et al. have tried to predict the swelling behavior of polymers for the systems of polyvinylchloride(PVC)-toluene-methanol, PVC-trichloroethylene-nitromethane and PVC-n-butylacetate-nitromethane[2]. The former two systems which do not show the donor/acceptor interactions upon mixing showed the successful results[2]. In addition to this technique, there are several other possible approaches to predict the swelling behaviors of polymers, such as the surface thermodynamic approach[3, 4], the comparison of the membrane polarity with the solvent polarity in terms of Dimroth's solvent polarity value[5].

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Effect of Solvent Mixture on the Properties of LTCC Slurry and Green Sheets (LTCC 슬러리 및 그린시트의 물성 변화에 미치는 혼합용매 조성의 영향)

  • Cho, Beom-Joon;Park, Eun-Tae
    • Korean Journal of Materials Research
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    • v.16 no.9
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    • pp.533-537
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    • 2006
  • The effects of binary solvent mixtures with various ratios of toluene and ethanol on the properties of slurries and green sheets were investigated. Viscosity of slurry was changed by varying the ratio of solvent mixture which affected the solubility of binder. The relative solvency behavior of a solvent mixture could be predicted with the Hildebrand solubility parameter(${\delta}$) and hydrogen bonding index( ${\gamma}$). The minimum viscosity, the best dispersion of binder, was reached at the composition of toluene:ethanol=4:6, which corresponded to our forecast. The mechanical properties of green sheets related to evaporation of solvents were influenced by the composition of the solvent mixture. At the azeotrope the skin was formed on a drying cast during the drying process because of fast evaporation. At a range of concentrations over 50wt% toluene, green sheets could not be fully dried at low temperature due to excessive toluene. The mechanical properties of green sheets were excellent at the azeotrope-like composition of toluene:ethanol=4:6 which has a little excess of toluene over the azeotrope.

Molecular Diffusion of Water in Paper(III) -Theoretical analysis on vapor sorption properties of fiber surface - (종이내 수분확산 (제3보) -종이 표면의 수증기-흡습성에 관한 이론적 고찰-)

  • Yoon, Sung-Hoon;Jeon, Yang;Park, Jong-Moon
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.31 no.1
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    • pp.61-71
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    • 1999
  • The study aimed at the theoretical analysis of vapor sorption properties of, pp.rmaking fibers. Water vapor affinity and sorption thermodynamic properties of fiber constituents were evaluated based on Henry's law and Hildebrand's solubility theory. Theoretical equilibrium moisture content(ThEMC) on fiber surface was estimated using functional group contribution. Crystallinity of cellulose in fiber significantly controlled the water vapor solubility. Comparisons of the measured equilibrium moisture content data and the estimated ThEMC data coincidently suggested the fact that crystallinity of cellulose in fibers was around 60% to 70%. Carbohydrates constituents including amorphous cellulose and hemicellulose in fibers showed higher vapor solubility than lignin molecules. High correlation existed between ThEMC and vapor solubility as well as between ThEMC and solubility parameter. In the thermodynamic analysis on water-vapor sorption process in fibers, the sorption enthalpy increased as RH increased, whereas sorption entropy and free energy decreased with increasing RH.

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