• Title/Summary/Keyword: Solutions chemistry

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Prediction Partial Molar Heat Capacity at Infinite Dilution for Aqueous Solutions of Various Polar Aromatic Compounds over a Wide Range of Conditions Using Artificial Neural Networks

  • Habibi-Yangjeh, Aziz;Esmailian, Mahdi
    • Bulletin of the Korean Chemical Society
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    • v.28 no.9
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    • pp.1477-1484
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    • 2007
  • Artificial neural networks (ANNs), for a first time, were successfully developed for the prediction partial molar heat capacity of aqueous solutions at infinite dilution for various polar aromatic compounds over wide range of temperatures (303.55-623.20 K) and pressures (0.1-30.2 MPa). Two three-layered feed forward ANNs with back-propagation of error were generated using three (the heat capacity in T = 303.55 K and P = 0.1 MPa, temperature and pressure) and six parameters (four theoretical descriptors, temperature and pressure) as inputs and its output is partial molar heat capacity at infinite dilution. It was found that properly selected and trained neural networks could fairly represent dependence of the heat capacity on the molecular descriptors, temperature and pressure. Mean percentage deviations (MPD) for prediction set by the models are 4.755 and 4.642, respectively.

Sequential Copolypeptides (Ⅲ). Synthesis and Characterization of Poly ($\gamma$-benzyl-L-glutamyl-$\gamma$-benzyl-L-glutamyl-glycine)

  • Choi, Sang-Up;Kang, Joon-Kil
    • Bulletin of the Korean Chemical Society
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    • v.1 no.3
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    • pp.78-82
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    • 1980
  • Solutions of $Cd^{2+}$, $Co^{2+}$ and $Ni^{2+}$ were mixed with the solutions of hydroxycarboxylic acids such as salicylic, lactic and mandelic acids in the presence of cation exchange resin at room temperature. The distribution ratios of the metal ions between resin and solution were measured, using radioactive metal ions as tracer. From the observed variation of the distribution ratios with the acid anion concentrations, it was concluded that $Cd^{2+}$, $Co^{2+}$ and $Ni^{2+}$ formed the one-to-one complexes with salicylate, lactate and mandelate ions in aqueous, 20 % ethanol-water and 20 % acetone-water solutions. The results of the present study indicated that the relative stabilities of the metal-acid complexes in solution increased in the order: $Cd^{2+}$ <$Co^{2+}$ <$Ni^{2+}$ complexes. Salicylate

Modified Carrageenan. 6. Crosslinked Graft Copolymer of Methacrylic Acid and kappa-Carrageenan as a Novel Superabsorbent Hydrogel with Low Salt- and High pH-Sensitivity

  • Pourjavadi A.;Harzandi A. M.;Hosseinzadeh H.
    • Macromolecular Research
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    • v.13 no.6
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    • pp.483-490
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    • 2005
  • A novel, polysaccharide-based, superabsorbent hydrogel was synthesized through crosslinking graft copolymerization of methacrylic acid (MAA) onto kappa-carrageenan ($_{k}C$), using ammonium persulfate (APS) as a free radical initiator in the presence of methylenebisacrylamide (MBA) as a crosslinker. A proposed mechanism for $_{k}C$­g-polymethacrylic acid ($_{k}C$-g-PMAA) formation was suggested and the hydrogel structure was confirmed using FTIR spectroscopy. The effect of grafting variables, including MBA, MAA, and APS concentration, was systematically optimized to achieve a hydrogel with the maximum possible swelling capacity. The swelling kinetics in distilled water and various salt solutions were preliminarily investigated. Absorbency in aqueous salt solutions of lithium chloride, sodium chloride, potassium chloride, calcium chloride, and aluminum chloride indicated that the swelling capacity decreased with increased ionic strength of the swelling medium. This behavior can be attributed to the charge screening effect for monovalent cations, as well as ionic crosslinking for multivalent cations. The swelling of super absorbing hydrogels was measured in solutions with pH ranging from 1 to 13. In addition, the pH reversibility and on-off switching behavior, at pH levels of 3.0 and 8.0, give the synthesized hydrogels great potential as an excellent candidate for the controlled delivery of bioactive agents.

Non-Newtonian Intrinsic Viscosities of Biopolymeric and Nonbiopolymeric Solutions (I)

  • Jang, Chun-Hag;Kim, Jong-Ryul;Ree, Tai-Kyue
    • Bulletin of the Korean Chemical Society
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    • v.8 no.4
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    • pp.318-324
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    • 1987
  • Experimental results for viscous flow of poly (${\gamma}$ -methyl L-glutamate) solutions have been published elsewhere. The data of $[{\eta}]^f / [{\eta}]^0$ are expressed by the following equation, $\frac{[{\eta}^f]}{[{\eta}^{\circ}]}=1-\frac{A}{\eta^\circ}{1-\frac{sin^{-1}[{\beta}_2(f/{\eta}_0)\;{e}xp\;(-c_2f^2/{\eta}_0^2kT)]}{{\beta}_2f/{\eta}_0}$ (A1) where $[{\eta}]^f\; and\; [{\eta} ]^0$ are the intrinsic viscosity at shear stress f and zero, respectively, $ A{\equiv}lim\limits_{C{\rightarrow}0}[(1/C)(X_2/{\alpha}_2)({\beta}_2/{\eta}_0)],{\eta}_0$ viscosity of the solvent, ${\beta}_2$ is the relaxation time of flow unit 2, $c_2$ is a constant related to the elasticity of flow unit 2. The theoretical derivation of Eq.(A1) is given in the text. The experimental curves of $[{\eta}]^f / [{\eta}]^0$ vs. log f are compared with the theoretical curves calculated from Eq.(A1) with good results. Eq.(A1) is also applied to non-biopolymeric solutions, and it was found that in the latter case $c_2 = 0.$ The reason for this is explained in the text. The problems related to non-Newtonian flows are discussed.

Self-Assembled Monolayers of Dioctyl Diselenides on Au(111)

  • Choi, Jung-Seok;Lee, Yoon-Jung;Kang, Hun-Gu;Han, Jin-Wook;Noh, Jae-Geun
    • Bulletin of the Korean Chemical Society
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    • v.29 no.6
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    • pp.1229-1232
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    • 2008
  • The surface structure, electrochemical behavior, and wetting property of self-assembled monolayers (SAMs) formed by dioctyl diselenide (DODSe) on Au(111) were investigated by scanning tunneling microscopy (STM), cyclic voltammetry (CV), and contact angle measurements. In contrast to the formation of well-ordered SAMs by octanethiol on Au(111), the SAMs formed by DODSe have a disordered phase and many unusual vacancy islands (VIs). In addition, the formation of DODSe SAMs is largely influenced by the solution concentration used. DODSe SAMs formed in 5 $\mu$ M and 50 $\mu$ M solutions have two mixed domains consisting of missing-row ordered phases and disordered phases, while DODSe SAMs formed in 1 mM and 5 mM solutions have only disordered phases with an abnormally high VI fraction of 22-24%. We also found that the wetting property and electrochemical behavior of DODSe SAMs on Au(111) are markedly influenced by the formation of ordered SAMs and the density of VIs.

Electrochemical Oxidation of Glucose at Nanoporous Gold Surfaces Prepared by Anodization in Carboxylic Acid Solutions (카복실산 용액에서 양극산화에 의해 형성된 나노다공성 금 표면상의 전기화학적 글루코오스 산화)

  • Roh, Seongjin;Jeong, Hwakyeung;Lee, Geumseop;Kim, Minju;Kim, Jongwon
    • Journal of the Korean Electrochemical Society
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    • v.16 no.2
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    • pp.74-80
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    • 2013
  • We investigate the formation of nanoporous gold (NPG) surfaces by anodization in three carboxylic acid (formic acid, acetic acid, and propionic acid) solutions and the electrochemical oxidation of glucose at NPG surfaces. Among three carboxylic acids, formic acid provided the most efficient conditions for NPG formation towards glucose oxidation. The optimized conditions during anodization in formic acid for glucose oxidation were 5.0 V of applied potential and 4 hour of reaction time. Electrocatalytic activities for glucose oxidation at NPG surfaces prepared by anodization in carboxylic acids were examined under the absence and presence of chloride ions, which were compared to those observed at NPG prepared in oxalic acid solutions. The application NPG prepared by optimized anodization conditions in formic acid to the amperometric detection of glucose was demonstrated.

Near-IR Spectroscopic Studies of the Hydrogen Bonding between Thioacetamide and N,N-Dimethylacetamide in $CCl_4$ ($CCl_4$중에서 Thioacetamide와 N,N-Dimethylacetamide사이의 수소 결합에 관한 분광학적인 연구)

  • Kang Bong Lee;Byung-Chul Kim;Chang-ju Yun;O. D. Bonner;Young-Sang Choi
    • Journal of the Korean Chemical Society
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    • v.30 no.6
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    • pp.510-515
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    • 1986
  • Spectra for the $v_3$+ Amide II combination band of thioacetamide(TA) were obtained in carbon tetrachloride solutions and in very dilute solutions of TA-N,N-dimethlylacetamide (DMA) in carbon tetrachloride in the range of 5~55$^{\circ}$C. The combination band in the three component system can be resolved into components due to monomeric TA, 1 : 1 TA-DMA complex and 1 : 2 TA-DMA complex. In the dilute solutions the experimental spectrum was resolved by using the computer into its two Lorentzian-Gaussian product components which have been identified with the monomeric TA and the 1 : 1 complex. The equilibrium constants and thermodynamic parameters of 1 : 1 complex were determined by analysis of concentration and temperature dependent spectra. The ${\Delta}H^{\circ}$ and ${\Delta}S^{\circ}$ for the 1 : 1 complex were -14.4 KJ mol$^{-1}$ and -15.6 J mol$^{-1}deg^{-1}$, respectively.

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Preparation of the Polymers Containing Phenylamide and Dimethylaminoethyl Groups and their Properties as a Nagative Photoresist

  • Chae, Kyu-Ho;Kang, Jin-Koo;Kim, Su-Kyung;Chough, Sung-Hyo
    • Journal of Photoscience
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    • v.7 no.2
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    • pp.47-52
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    • 2000
  • The copolymmers of N, N-dimethylaminoethyl methacrylate(DAEM) and N-arylmethacrylamide (AMA) were prepared, and their photochemical properties as a negative photoresist were studied by the measurements of insoluble fraction, and by UV and IR absorption spectral changes. These copolymers are soluble in DMF, actone, methanol, of acidic buffer solutions. Solubility of these copolymer films in the vuffer solutions increased with the amount of DAEM units in the copolymer and decreased with the pH value. The insoluble fraction of the copolymer films in the buffer solution of pH 4 of in methanol increased with irradiation time and the amount of AMA units in the copolymer. UV and IR spectral changes indicated that not only photo-crosslinking but also the photo-Fries rearrangement took place upon irradiation with a 254nm UV light.

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Simulation of transport phenomena in porous membrane evaporators using computational fluid dynamics

  • Mohammadi, Mehrnoush;Marjani, Azam;Asadollahzadeh, Mehdi;Hemmati, Alireza;Kazemi, Seyyed Masoud
    • Membrane and Water Treatment
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    • v.7 no.2
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    • pp.87-100
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    • 2016
  • A numerical simulation of membrane evaporation process was carried out in this work. The aim of simulation is to describe transport of water through porous membranes applicable to the concentration of aqueous solutions. A three-dimensional mathematical model was developed which considers transport phenomena including mass, heat, and momentum transfer in membrane evaporation process. The equations of model were then solved numerically using finite element method. The results of simulation in terms of evaporation flux were compared with experimental data, and confirmed the accuracy of model. Moreover, profile of pressure, concentration, and heat flux were obtained and analyzed. The results revealed that developed 3D model is capable of predicting performance of membrane evaporators in concentration of aqueous solutions.