• Title/Summary/Keyword: Sodium chloride aqueous solution

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Molecular-dynamic simulation on the equilibrium and dynamical properties of fluids in a nano-channel

  • Hoang, H.;Kang, S.;Suh, Y.K.
    • 한국전산유체공학회:학술대회논문집
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    • 2008.10a
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    • pp.208-214
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    • 2008
  • The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

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Thermosensitive Block Copolymers Consisting of Poly(N-isopropylacrylamide) and Star Shape Oligo(ethylene oxide)

  • Lee, Seung-Cheol;Chang, Ji-Young
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1521-1525
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    • 2009
  • Thermosensitive block copolymers of ethylene oxide and N-isopropylacrylamide (NIPAM) were synthesized. A five armed star shape oligo(ethylene oxide) initiator with a cyclotriphosphazene core was prepared and used for the atom transfer radical polymerization (ATRP) of NIPAM. The lower critical solution temperatures (LCSTs) of the copolymers were 36 to 46 ${^{\circ}C}$, higher than that of PNIPAM (32 ${^{\circ}C}$), depending on their molecular weights. The copolymers were soluble in water below the LCSTs but formed micelles above the LCSTs. The thermosensitive micellization behaviors of the polymers were investigated by fluorescence spectroscopy. With increasing the temperature of an aqueous solution of P2 and pyrene above the LCST, the peak of 333 nm red-shifted to appear around 339 nm and its intensity increased significantly, indicating the micelle formation. The transfer of pyrene into the micelles was also confirmed by a confocal laser scanning microscope. The fluorescence image obtained from P2 in an aqueous pyrene solution exhibited a green emission resulting from the pyrene transferred into the micelles. Salt effects on the solubility of the copolymers in an aqueous solution were investigated. The LCST of P2 decreased sharply as the concentration of sodium chloride increased, while decreased slowly with potassium chloride.

Nonlinear Regression Analysis of Acid-Base Titration System (산-염기 적정 시스템의 비선형 회귀분석에 관한 고찰)

  • Park, Chung-Oh;Hong, Jae-Jin
    • Korean Journal of Clinical Laboratory Science
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    • v.40 no.1
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    • pp.18-25
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    • 2008
  • In classical titrimetric analyses, the major concern is the concentration of titrant, usually the aqueous solution of hydrochloric acid or sodium hydroxide, that could be changed as time goes by and it is accompanied with the inaccuracy of the resulting data. And the statistical approach, the nonlinear regression analysis, which is a well-known statistical method, was introduced to determine the accurate concentration of the titrant and the exact value of parameters, $K_a$, r, $C_a$, $C_b$, for 0.01 M aqueous solutions of analytes, sodium pyruvate, sodium acetate, sodium bicarbonate, ammonium hydroxide, ammonium chloride and acetic acid at $25^{\circ}C$. We used Gauss-Newton method for the linearlization of the nonlinear titration system and the two-parameter fitting showed appreciable convergent data for the parameters of the analytes set with the various range of $K_a$ value.

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MOLECULAR-DYNAMIC SIMULATION ON THE STATICAL AND DYNAMICAL PROPERTIES OF FLUIDS IN A NANO-CHANNEL

  • Hoang, Hai;Kang, Sang-Mo;Suh, Yong-Kweon
    • Journal of computational fluids engineering
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    • v.14 no.1
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    • pp.24-34
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    • 2009
  • The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids confined between two plates that are separated by 1.086 nm; included in the statical properties are the density distribution and the static structure, and the autocorrelation velocity function in the dynamic property. Three kinds of fluids considered in this study are the Lennard-Jones fluid, water and aqueous sodium-chloride solution. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

Determination of ethylene glycol in alkali wastewater by gas chromatography/mass spectrometry (GC/MS를 이용한 알칼리 폐수 중 ethylene glycol 정량)

  • Park, Gyo-Beom;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.17 no.6
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    • pp.527-531
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    • 2004
  • Treatment with aqueous sodium hydroxide solution plays an important role to impart certain desirable properties - feel and luster on the surface of polyester fiber. In this process alkali wastewater contains disodium terephthalate, ethylene glycol (EG) and residual sodium hydroxide. In this paper we report a new method containing the pretreatments of derivatization with benzoyl chloride and solvent extraction using pentane. The calibration curve of EG determined by GC/MS-SIM shows a good linearity in the range of 0.1 to $25{\mu}g/mL$ having the standard deviation of ${\leq}8.7%$. The recovery and the detection limit of this method are 91.9-93.7% and $0.05{\mu}g/mL$ respectively.

Determination of phenols in water by derivatization and GC/MS (유도체화와 GC/MS를 이용한 물중의 페놀류 분석)

  • Park, Gyo-Beom;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.18 no.6
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    • pp.453-459
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    • 2005
  • Phenol compounds in water were simultaneously analyzed by extractive derivatization. Aqueous solution was controlled to pH 13 with sodium hydroxide, and then $500{\mu}L$ of benzoyl chloride was added to the solution. The solution was shaken for 15 minutes and extracted with diethyl ether and then analyzed using GC/MS-SIM. The calibration curves of phenolic compounds in the range of 0.05 to $5.0{\mu}g/mL$ showed a good linearity having the correlation coefficient of $r^2=0.9915$ and standard deviation of ${\leq}8.5%$, respectively. The recoveries by this method ware 58.4-114.0%.

ESTIMATION FOR DEWATERABILITY ON INTERACTION BETWEEN CATIONIC FLOCCULANTS AND IONIC MATERIALS IN DISSOLVING WATER

  • Bae, Young-Han;Lee, Sung-Sik
    • Environmental Engineering Research
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    • v.11 no.5
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    • pp.266-276
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    • 2006
  • Commonly, the flocculant is dissolved in process or recycle water in industrial plant which has many ionic materials. Therefore, the polymer degradation in aqueous solution by chemical, mechanical or bacteriological may occur, sometimes rapidly. Even if the same flocculant is dissolved, the flocculation characteristics and the properties of dissolving polymer varied with the kind of dissolving water. In this study, we try to estimate the interaction between flocculants and ionic materials in dissolving water using self inversing emulsion polymer; polyacrylamide-co-trimethyl ammonium ethyl acrylate chloride flocculants which have varying molecular weights and structures at a several conditions. The polymeric flocculant is dissolved in artificial dissolving water with Potassium Chloride (PC), Calcium Chloride anhydrous (CC), Potassium Hydroxide (PH), Sodium Chloride (SC), Sodium Bromate (SB) and Iron (II) Sulfate Heptahydrate (IS) as ionic sources. Experimental results indicate that the cationic and anionic ions in dissolving water induce the hydrolysis, degradation of cationic functional group and uncoiling of polymeric flocculants, therefore, the flocculation efficiency decreased by undesired polymer. According that result, it is important to estimate not only its structures and physical properties but also the qualities of dissolving water to optimize the efficiency.

Conservation of copper objects in marine sites (해저 인양 구리 유물의 보존처리 연구)

  • Moon, Whan-Suk;Hwang, Jin-ju;Kim, Sun-Duk;Kang, Dai-Ill;Jung, Ki-Jung;Jung, Young-Dong
    • 보존과학연구
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    • s.16
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    • pp.41-58
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    • 1995
  • Several comparisons of treatment methods for stabilizing corroded Chinese coins at Shin-an marine sites were investigated. In aqueous solution, the seexamination were performed to show whether chloride ions are gradually removed, patination changes are acceptable and archaeological details are identified. The six desalting methods showed that the orders of removal of chloride ions were ranked electrolysis (electolyte : 0.1M sodium sesqui.)> 5% sodium dithionite(1M NaOH)> 5%sodium dithionite(0.1M sesqui.)> 5% citric acid> 0.1M sodium sesquicarbonate>deionized water. As the examinations of moisture absorption to the relative humidity has compared for bronze disease, all of desalted coins for the R.H 53% and R.H 75%except to R.H 95% are showed serious bronze disease.

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