• Advances in environmental research
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• v.4 no.2
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• pp.119-133
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• 2015

Water pollution means that the physical, chemical and biological properties of water are changing. In this study, adsorption was chosen as the treatment method because it is an eco-friendly and low cost approach. Magnetite is a magnetic material that can synthesize chemical precipitation. Magnetite was used for the removal of copper in artificial water samples. For this purpose, metal removal from water dependent on the pH, initial concentration of metal, amount of adsorbent and effect of sorption time were investigated. Magnetite was characterized using XRD, SEM and particle size distribution. The copper ions were determined by atomic absorption spectrometry. The adsorption of copper on the magnetite was studied in a batch process, with different aqueous solutions of Cu (II) at concentrations ranging from 10 to $50mg\;l^{-1}$. Optimum conditions for using magnetite were found to be concentration of $10mg\;L^{-1}$, pH: 4.5, contact time: 40 min. Optimum adsorbent was found to be 0.3 gr. Furthermore, adsorption isotherm data were analyzed using the Langmuir and Freundlich equations. The adsorption data fitted well with the Freundlich ($r^2=0.9701$) and Langmuir isotherm ($r^2=0.9711$) equations. Kinetic and equilibrium aspects of the adsorption process were studied. The time-dependent Cu (II) adsorption data were described well by a pseudo-second-order kinetic model.

• Membrane and Water Treatment
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• v.5 no.4
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• pp.295-304
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• 2014

Adipic acid (hexane-1,6-dioic acid) is one of the most used chemical in industrial applications. This must be separated from any environmental contaminant. In this study, adipic acid separation from wastewater by adsorption method onto Perlite or Perlite + Mn or Perlite + Cu composites was investigated. Adsorption of Adipic acid was investigated in terms of equilibrium, and thermodynamic conditions. For thermodynamic investigations the experiments carried out at three different temperatures (298 K, 318 K, 328 K). In the equilibrium studies, 2 g of perlite and its composites were determined as the optimal adsorbent amount. Freundlich and Langmuir isotherms were applied to the experimental data. Freundlich isotherms for all temperatures used in this work gave some deviations with R square values under 0.98 where as Langmuir isotherm gave good results with R square values upper 0.99 at different temperatures. As a result of thermodynamic studies, adsorption enthalpy (${\Delta}H$), adsorption entropy (${\Delta}S$), and adsorption free energy (${\Delta}G$) have been calculated for each adsorbents.

• YAKHAK HOEJI
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• v.7 no.1
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• pp.1-7
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• 1963

This investigation is the studies on the solubility analysis for several pharmaceuticals. The equilibrium reactions leading to complex formation of Caffeine and Nicotinamide with Lidocaine and Saccharin have been studied. The equilibrium constant of each complexes have also been calculated. It is shown that complex formation may lead to an increase in the solubilities of the reactants, and that Nicotinamide has more complexing activity than Caffeine. The influence of chemical structure of each components on interaction is also discussed.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2683-2688
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• 2012

The position of the thermodynamic equilibrium for reverse thermochromic spiropyran 6-carboxylates (SP-COOHs) was easily determined in aqueous binary mixtures, such as water-methanol, water-acetonitrile and water-dimethyl sulfoxide. The existence of more than one type of interconvertible species of the ring-opened form of SP-COOH in aqueous binary solvents enables us to evaluate the molar extinction coefficients of the ring-opened species of SP-COOH and to obtain the thermodynamic parameters.

• Bulletin of the Korean Chemical Society
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• v.28 no.10
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• pp.1697-1704
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• 2007

We present results for transport properties of diatomic fluids by isothermal-isobaric (NpT) equilibrium molecular dynamics (EMD) simulations using Green-Kubo and Einstein formulas. As the molecular elongation of diatomic molecules increases from the spherical monatomic molecule, the diffusion coefficient increases, indicating that longish shape molecules diffuse more than spherical molecules, and the rotational diffusion coefficients are almost the same in the statistical error since random rotation decreases. The calculated translational viscosity decreases with the molecular elongation of diatomic molecule within statistical error bar, while the rotational viscosity increases. The total thermal conductivity decreases as the molecular elongation increases. This result of thermal conductivity for diatomic molecules by EMD simulations is again inconsistent with the earlier results of those by non-equilibrium molecular dynamics (NEMD) simulations even though the missing terms related to rotational degree of freedom into the Green-Kubo and Einstein formulas with regard to the calculation of thermal conductivity for molecular fluids are included.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.731-732
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• 2003

Mutagen X (MX), 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone is one of the most potent directing acting mutagen ever tested in SAL TA100 assay. Although MX analogues have been synthesized, tested for mutagenicity and modeled by structure-activity relationship (SAR) methods, the mechanism of interaction of these compounds with DNA to produce their remarkable mutagenic potency remains unresolved. MX exists as an equilibrium mixture of both ring and open form in water. This equilibrium is very fast for Ames test. Because the mixture is not separable by experimental methods, it is not clear which one is really responsible for the observed mutagenicity. There have been many debates that which one is really responsible for the observed mutagenicity. We used ab initio methods for the MX analogues. It seems both ring and open form could react with DNA bases as electrophiles. However, every open form has consistently lower LUMO energy than corresponding ring form. It is reasonable to assume that the major reaction will go through via open form for MX analogues. This suggest that the open form is more likely really mutagenic.

• Aerospace Engineering and Technology
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• v.7 no.2
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• pp.157-161
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• 2008

This study introduce a newly developed program to calculate the combustion process of combustion chamber and gas generator of liquid rocket engine by use of Gibbs free energy minimization method based on chemical equilibrium. The simulation results of the new program and CEA code of NASA were compared and showed good agreement, thus proving the validity of the newly developed in-house program for combustion analysis.

• Journal of Energy Engineering
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• v.2 no.3
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• pp.276-284
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• 1993

This study is to obtain some basic data which are prerequisite for the conceptual design of gasification process based on entrained-bed type gasifier. The Gibbs free energy minimization method is used to analyze the chemical equilibrium in the gasifier. The modeling results which consider the conventional mass balance and heat balance are compared with the experimental data published by Electric Power Research Institute. The analysis shows that the reaction in a entrained-bed gasifier is influenced mainly by the amount of oxidant, by the temperature of gasifier and by the type of coals.

• Journal of the Korean Graphic Arts Communication Society
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• v.21 no.1
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• pp.11-20
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• 2003

Equilibrium swelling curves of N-isopropyl acrylamide(NIPA) gel and its ionized copolymer gels were obtained as a function of temperature. Discontinuous volume changes of the gels were observed. Phase transition temperature was increased with the ionized counter parts of the gels. Equilibrium swelling of ionized copolymer gel cylinder was found to depend strongly on their diameters. Crosslinking density of NIPA gel was adjusted by increasing N,N'-methylenebisacrylamide(BIS). Phase transition temperature was increased with the crosslinking density.

• Elastomers and Composites
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• v.24 no.2
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• pp.105-109
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• 1989

Liquid phase adsorption of organic compounds solution on the activated carbon fiber was measured by chromatographic method in a packed column. Adsorption equilibrium constant Ka of dextrose solution was found to be $72.5cm^3/g$ on ACF without bacteria growth, while in the bacterial ACF packed column Ka was $87.9cm^3/g$. It is suggested that for biological ACF there is a large contribution of bacterial activity to the adsorption equilibrium constant. Axial dispersion coefficient Ez was determined to be in proportional to flow rate and Pe=dpu/Ez independent or existence or bacteria.