• Journal of the Korean Vacuum Society
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• v.4 no.2
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• pp.150-155
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• 1995

Mo 단결정 표면에 황을 흡착시켜 형성된 상층구조를 AES와 LEED로써 연구하였다. 황의 피복률은 sulfur gun으로부터 생성되는 S2 flux로써 조절하였으며, 여러 가지 흡착된 황의 상층구조를 LEED로써 관찰하였다. 황화된 Mo 표면에서 탈산소반응(HDO)의 모델 분자로서, Furan의 흡착과 반응을 승온반응분광법(TPRS)으로 조사하였다. 낮은 온도에서 Furan 분자의 헤테로 원자는 직접 이탈하여 안정한 기체상의 반응 생성물인 일산화탄소를 형성하였으며, 이 반응은 Mo의 (100) 및 (110)면에서 각각 깨끗한 표면 및 황화된 표면에 관계없이 일어났다. 이를 바탕으로 Mo 표면에서 Furan의 분해반응에 대한 메카니즘을 제안하였다.

• Journal of Soil and Groundwater Environment
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• v.10 no.5
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• pp.61-69
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• 2005

Changes in pyrene binding by dissolved and kaolinite-associated humic substances (HS) due to HS adsorptive fractionation processes were examined using purified Aldrich humic acid (PAHA) at different pH (4, 7 and 9). Irrespective of solution pH, molecular weight (MW) fractionation occurred upon adsorption of PAHA onto kaolinite, resulting in the deviation of residual PAHA MW from the original MW prior to sorption. Variation in $K_{OC}$ by bulk PAHA was observed at different pH due to relative contributions of partitioning and size exclusion effects (i.e., specific interactions). For all pH conditions investigated, carbon-normalized pyrene binding coefficients for nonadsorbed, residual fractions $(K_{OC}(res))$ were different from the original dissolved PAHA $K_{OC}$ value $(K_{OC}(orig))$ prior to contact with the kaolinite suspensions. Positive correlations between pyrene $(K_{OC}(res))$ and weight-average molecular weight $(MW_W)$ for residual PAHA fractions were observed for pH 7 and 9. However, such a positive correlation was not found at pH 4 due to the absence of the dramatic fractionation observed for high pH conditions (i.e., exclusive fractionation with respect to higher MW), suggesting that actual MW distribution pattern is more important for sorption-fractionated HS than the composite MW value. For adsorbed PAHA, conformational changes of PAHA upon adsorption seem to be important for the extent of pyrene binding. At relatively high pH (7 and 9), lower extent of pyrene binding was observed for adsorbed PAHA versus nonadsorbed PAHA. The conformation effects were more pronounced at higher pH.

• Journal of Energy Engineering
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• v.23 no.2
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• pp.7-12
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• 2014

Molecular simulation was performed to evaluate the possibility of hydrogen storage of carbon nanotubes. The equilibrium state of hydrogen adsorbed on carbon nanotubes was simulated by grand canonical Monte Carlo method at constant temperature and pressure. The interaction energy between hydrogen molecule and carbon nanotube was calculated by Lennard-Jones potential model. According to the interaction energy calculated, more hydrogen molecules were adsorbed on the inside than the outside of nanotubes. Whereas the adsorption strength was higher outside than inside. Adsorption capacity was investigated for various temperature and pressure. The maximum capacity of carbon nanotube for hydrogen storage was 2.5wt% at 200 K and 200 bar.

• Proceedings of the Korean Fiber Society Conference
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• 2003.04a
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• pp.421-422
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• 2003

면섬유를 가공할 때 가공효과는 면섬유 미세기공에의 가공제 흡착량에 의존한다. 흡착량에 영향을 주는 것은 화학적으로는 가공제와 면섬유 간의 친화력이고, 물리적으로는 가공제의 물 속에서의 크기 즉, hydrodynamic volume이다. 기존 면섬유 가공제의 경우 낮은 분자량을 사용하였으나, 최근 들어 높은 분자량의 가공제를 사용 하는 경향이 있다. 고분자량 가공제의 경우에는 앞서 언급한 것과 같이 가공제의 크기가 가공제의 가공효과에 영향을 미칠 수 있으나, 이에 관련된 연구는 많지 않다. (중략)

• Proceedings of the Korean Environmental Sciences Society Conference
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• 2003.05a
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• pp.297-302
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• 2003

고압증기멸균을 통해서 변형된 키토산을 FT-IR로 분석해 봤을 때, 기존의 키토산의 형태를 유지하고 있음을 알수가 있었고 분자량을 변화 시킨 키토산을 기존의 키토산과 납 흡착실험을 통해서 제거능 비교해 볼 때 15 min > 30 min > 10 min > 5min > 60 min > 0 min 순으로 나타났다 이로써 시간별로 autoclaving처리하여 분자량을 변화시킨 키토산의 제거율이 높음을 알 수가 있었다. 그 중에서도 15 min 동안 autoclaving처리하는 것이 가장 적당한 것으로 알 수가 있었다. 중금속 제거 전후의 키토산을 SAM과 TEM을 통해서 관찰해 보았다. SAM의 경우 autoclaving처리하지 않은 키토산의 표면보다는 autoclaving처리한 키토산의 표면에 보다 많은 기공이 생겨났음을 알 수 있었으며 그로 인해서 납 중금속이 보다 많이 흡착되어 있음을 알 수가 있었다. TEM의 결과로 봤을 때 높은 고압과 온도에 의해서 키토산 고유의 물결무늬가 사라졌음을 알 수가 있었다. 납 중금속이 내부에는 흡착이 이루어지지 않고 외부에 흡착이 이루어 진 것을 볼 수가 있었다.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.12 no.2
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• pp.110-114
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• 2002

The relationship between the orientation of molecules adsorbed on $_TiO2$ and their photoproducts was examined by employing HBPCA (4-hydroxy-biphenylcarboxylic acid) as a model organic pollutant. For this purpose, the Photoproducts after irradiation with UV radiation at various pH were compared by utilizing UV and Raman spectroscopies. It was found from these studies that pH affected the photoproducts probably due to the different orientations of the adsorbed molecules, and that the orientation of the adsorbed molecules and their photoproducts were closely correlated.

• Journal of Korean Society of Environmental Engineers
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• v.27 no.9
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• pp.989-994
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• 2005

The treatment efficiency and the degradation characteristics of humic acid were investigated in three processes-GAC adsorption, Ozone alone and Ozone/GAC hybrid process, in which $UV_{254}$, DOC, molecular size distribution and surface change of GAC were evaluated. DOC removal rate in Ozone/GAC hybrid profess(ca. 80%) was higher than the arithmetic sum of Ozone alone(38%) and GAC adsorption(19%). This result approves that the combined Ozone/GAC hybrid process brings synergistic effects on DOC removal from the HA containing water. $UV_{254}$ decrease rate was also at the highest in Ozone/GAC hybrid process from the three processes. It may be interpreted that the granular activated carbon in Ozone/GAC hybrid process acts as not only an adsorbent but also a catalyst for ozonation, and futhermore offers an additional reaction site between adsorbed organic matter and ozone. In the study of molecular sire distribution, there was no significant change of molecular size distribution in the GAC adsorption process during the reaction time of 120 min. In Ozone alone process, the fraction of molecular size over 30 kDa was decreased a little at the beginning and left constant after 10 min. But in Ozone/GAC hybrid process, the molecules size over 30 kDa of HA was significantly decreased from 36.3% to 3.9%. And also the fraction of smaller molecular size below 0.5 kDa was increased from 4.8%(untreated HA) to 12.3%(in Ozone alone) and 40.1%(in Ozone/GAC) respectively at the reaction time of 120 min.

• Resources Recycling
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• v.15 no.3 s.71
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• pp.81-86
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• 2006

Altered Langmuir adsorption isotherm has been suggested for adsorption reactions occurring in aqueous environment based upon the concept of the steric displacement between adsorbates and water molecules at the surface of adsorbent. For the adsorption of $Cd^{2+}$ on activated carbon, the suggested adsorption isotherm was shown to be more well applied to the experimental results compared with the classical Langmuir adsorption isotherm. Based on this, regarding the adsorption system which following the Langmuir model more precise design and controllable operation of the process were considered to be attainable when the adsorption process is analyzed employing the altered adsorption isotherm.

• Korean Chemical Engineering Research
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• v.46 no.6
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• pp.1087-1094
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• 2008

This article presents a multi-scale simulation approach starting from the molecular level for the adsorption process development, specifically, in n-hexane adsorption on activated carbon. A grand canonical Monte-Carlo(GCMC) method is used for the prediction of adsorption isotherms of n-hexane on activated carbon at the molecular level. Geometric effects and hydrodynamic properties of the adsorption column are examined by means of the two dimensional CFD(computational fluid dynamics) simulation. The adsorption isotherms from the molecular simulation and the axial diffusivity from the CFD simulation are exploited for the process simulation where the elution curve of n-hexane is obtained. For the first moment(mean residence time) of the pulse-response with respect to temperature and flowrate, the process simulation results obtained from this three-steps multiscale simulation approach show a good agreement with experimental data within 20% of maximum difference. The multi-scale simulation approach addressed in this study will be useful to accelerate the adsorption process development, while reducing the number of experiments required.

• Journal of the Mineralogical Society of Korea
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• v.21 no.3
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• pp.307-312
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• 2008

Rietveld analysis using synchrotron X-ray powder diffraction data collected at 15 K reveals that CFC-13 ($CF_{3}Cl;$ chlorotrifluoromethane) sorbed on Na,K-LSX binds through fluorine to sodium ions around the single 6-ring aperture in the supcrgage.