• 한국신재생에너지학회:학술대회논문집
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• 2005.11a
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• pp.634-637
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• 2005

Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of $H_2C_6H_6$ model system the adsorption energy of hydrogen molecule into MOF was investigated with the consideration of the favorable adsorption sites and the orientations. We also calculated the second favorable adsorption sites by geometry optimization using every combination of two first absorbed hydrogen molecules. Based on the calculation of first and second adsorption sites and energies, the hydrogen adsorption into MOF follows a cooperative mechanism in which the initial metal sites initiate the propagation of the hydrogen adsorption on the whole frameworks. In addition, it was found that the interaction strength between the simple benzene ring with hydrogen is significantly reinforced when the benzene ring has been incorporated into the framework of MOFs.

• Macromolecular Research
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• v.16 no.7
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• pp.651-658
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• 2008

Poly(butylene succiate) (PBS), poly(butylene succinate-co-L-lactate) (PBSL), and poly(butylene succinate-co-6-hydroxycaproate) (PBSCL) polymers were degraded by lipase $PS^{(R)}$, and the enzymatic degradation mechanism of PBS was analyzed in detail. The enzymatic degradation of PBS gave 4-hydroxybutyl succinate (4HBS) as the main product. An exo-type hydrolysis mechanism was proposed based on this observation. The terminal chain of PBS had conformational similarity to ordinary tri- and diglycerides and could be incorporated as a substrate in the active site of this lipase. The surface adsorption of the lipase was much larger on PBS and its copolymer films than on the other polyester films because the lipase adhered quite strongly to the polymer terminal through a specific adsorption mechanism. Kinetic analysis showed that the total number of surface adsorption points per unit area of PBSL and PBSCL copolymers was larger than that of the PBS homopolymer.

• Membrane and Water Treatment
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• v.7 no.6
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• pp.555-571
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• 2016

Heavy metal contamination has attracted considerable attention during recent decades due to the potential risk brought about for human beings and the environment. Several adsorbent materials are utilized for the purification of contaminated water resources among which chitosan is considered as an appropriate alternative. Copper is a heavy metal contaminants found in several industrial wastewaters and its adsorption on porous and macroporous chitosan membranes is investigated in this study. Membranes are prepared by phase inversion and particulate leaching method and their morphology is characterized using SEM analysis. Batch adsorption experiments are performed and it is found that copper adsorption on macroporous chitosan membrane is higher than porous membrane. The iso-steric heat of adsorption was determined by analyzing the variations of temperature to investigate its effect on adsorption characteristics of macroporous chitosan membranes. Furthermore, desorption experiments were studied using NaCl and EDTA as eluants. The mechanism of copper adsorption was also investigated using XPS spectroscopy which confirms simultaneous occurrence of chelation and electrostatic adsorption mechanisms.

• Journal of the Korean Ceramic Society
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• v.56 no.2
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• pp.146-152
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• 2019

In order to study the transport behavior of tripolyphosphate (TPP) in aqueous solutions, the adsorption process of TPP on synthetic goethite, which exists stably in supergene environment, has been systematically studied. The adsorption properties under different conditions (pH, electrolyte presence, and temperature) were investigated. The adsorption of TPP in the presence of humic acid (HA)/fulvic acid (FA) has also been discussed in this paper. The results indicated that the adsorption capacity quickly increased within the first hour and equilibrium was reached within 24 h. The adsorption capacity decreased from 1.98 to 0.27 mg·g^-1 upon increasing the pH from 8.5 to 11.0, whereas the adsorption of TPP on goethite hardly changed with increasing electrolyte concentration. The results of analysis of the kinetic and isothermal models showed that the adsorption was more in accord with the pseudo second-order equation and Freundlich model. The adsorption capacity decreased obviously regardless of the order of addition of TPP, HA, and goethite. Subsequent addition of FA led to a large increase in the adsorption capacity, which might be attributed to the adsorption ability of FA. According to the predictions of the kinetic and isothermal models and the spectroscopic evidence (X-ray diffraction (XRD), Fourier Transform infrared spectroscopy (FT-IR), and scanning electron microscope (SEM)), the adsorption mechanism may be mainly based on surface complexation and physical adsorption.

• Tribology and Lubricants
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• v.17 no.3
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• pp.171-178
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• 2001

In order to elucidate the lubricating mechanism of polyolester base oils [POEs], the wear characteristics of 27 kinds of polyolester base oils including mixed POEs were investigated. Their wear results were discussed in terms of the effect of molecular structure on wear performance and compared with those of mineral oil. In addition, the adsorption ability of POEs to reduced iron and their hydrolysis rates were measured and the effect of their molecular structures on the adsorptivity and hydrolysis rate of POEs was discussed, respectively. Finally, the lubricating mechanism anlyzed from these results of wear characteristics, adsorptivity and hydrolysis rate was proposed. That is to say, POEs are firstly adsorbed to friction surface and decomposed by hydrolysis or thermal degradation. Fatty acids obtained by degradation of POEs form adsorption film on friction surface. The larger become cohesive ability among fatty acid molecules in the adsorption film, the better gets the wear performance of POEs.

• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.3033-3038
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• 2012

The hydrogen storage mechanism of graphite was studied by measuring the electrical resistance change. Graphite was expanded and activated to allow for an easy hydrogen molecule approach and to enlarge the adsorption sites. A vanadium catalyst was simultaneously introduced on the graphite during the activation process. The hydrogen storage increased due to the effects of expansion, activation, and the catalyst. In addition, the electrical resistance of the prepared samples was measured during hydrogen molecule adsorption to investigate the hydrogen adsorption mechanism. It was found that the electrical resistance changed as a result of the easy hydrogen molecule approach, as well as of the adsorption process and the catalyst. It was also notable that the catalyst improved not only the hydrogen storage capacity but also the speed of hydrogen storage based on the response time. The hydrogen storage mechanism is suggested based on the effects of expansion, activation, and the catalyst.

• Journal of the Korea Concrete Institute
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• v.27 no.1
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• pp.85-92
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• 2015

The chloride ions, responsible for the initiation of the corrosion mechanism, intrude from the external medium into the concrete. A part of the intruding chloride ions will be retained by the hydration products of the binder in concrete, either through chemical adsorption or by physical adsorption. Since the hydration products of cement are responsible for the chloride binding in concrete, this study focused on the chloride binding in individual hydrate. The purpose of this study is to explore the time dependant behaviors of chloride ions adsorption with cement hydrates, focused on its mechanism. AFt phase and CH phase were not able to absorb chloride ion, however, C-S-H phase and AFm phase had a significant chloride adsorption capacity. In particular, AFm phase showed a chemical adsorption with slow rate in 40 days, while C-S-H phase showed binding behaviors with 3 stages including momentary physical adsorption, physico-chemical adsorption, and chemical adsorption. Based on the results, this study suggested theoretical approach to depict chloride adsorption behavior with elapsed time of C-S-H phase and AFm phase effectively. It is believed that the approach suggested in this study can provide us with a good solution to understand the mechanism on chloride adsorption with hydrates and to calculate a rate of chloride penetration with original source of chloride ions, for example, marine sand at initial time or sea water penetration later on.

• Journal of Electrochemical Science and Technology
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• v.10 no.1
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• pp.69-81
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• 2019

The corrosion inhibiting mechanism of Vietnam orange peel essential oil (OPEO) for mild steel in 1 N HCl solution was investigated elaborately. Corrosion inhibition ability of OPEO was characterized by electrochemical polarization, electrochemical impedance spectroscopy (EIS), and weight loss method. In the corrosive solution, OPEO worked as a mixed inhibitor and the inhibition efficiency of OPEO increased with the increase of its concentration. High inhibition efficiencies over 90% were achieved for the concentration of 3 - 4 g/L OPEO, comparable to that of 3.5 g/L urotropine (URO), a commercial corrosion inhibitor for acid media used in industry. By using adsorption isotherm models (Langmuir, Temkin and Frumkin), thermodynamic parameters of adsorption were calculated. The obtained results indicated physical adsorption mechanism of OPEO on the steel surface. The components responsible for the corrosion inhibition activity of OPEO were not only D-limonene, but also other compounds, which contain C=O, C=C, O-H, C-O-C, -C=CH and C-H bonding groups in the molecules.

• Journal of the Korean Society of Clothing and Textiles
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• v.12 no.1 s.26
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• pp.27-35
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• 1988

In order to investigate a practical application of the fibrous adsorbent to heavy metal ions, acrylic fibers were treated with the hydroxylamine solution that was producted by hydroxylamine hydrochloride and potasium hydroxide in a condition of strong alkaline and $70^{\circ}C$. The adsorption mechanism of copper(2) ion on the fibrous adsorbent, that is hydroxylaminated acrylic fibers, was studied. The adsorption of copper(2) ion was explained in terms of the activated adsorption that are formed the complex with the ligand, such as C=N, N-H, NHOH, on the surface of the adsorbent. The activation energy was evaluated to be 3.8 Kcal/mol. and the times of adsorption equilibrium was approximately 10 minutes. The uptake of copper(2) ion was found to be effected with the increase of temperatures and the pH dependence.

• Korean Chemical Engineering Research
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• v.56 no.1
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• pp.14-23
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• 2018

The effect of dodecylbenzene sulfonic acid (DBSA) with different addition amount of DBSA ($M_{DBSA}$), temperatures and solvent-to-oil ratio (SOR, v/v) on asphaltene aggregation in a solvent deasphalting system was investigated. Increasing the $M_{DBSA}$ at SOR 10 and $55^{\circ}C$ caused the asphaltene removal ratio (ARR) to increase first, then maximize at 1 wt% of $M_{DBSA}$ and then decrease continuously. Based on the SARA (saturate, aromatic, resin, asphaltene) composition, the adsorption amount of DBSA on the asphaltene surface and the self-aggregation of the DBSA, the reason for the change in ARR with $M_{DBSA}$ was found due to the adsorption mechanism. In addition, the asphaltene-resin-DBSA colloidal size confirmed the change of adsorption behavior between the asphaltene and DBSA. Based on the results of this study, a hypothetical adsorption mechanism of DBSA on asphaltene aggregation in the solvent deasphalting system was conceived of and proposed.