• Title/Summary/Keyword: Edge-Chemistry

검색결과 111건 처리시간 0.024초

Normal Mode Studies for Solids HF, HCl and Polyethylene According to the Pseudolattice Method

  • Chang, Man-Chai;John, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • 제6권2호
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    • pp.68-73
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    • 1985
  • Normal modes of solids HF, HCl and polyethylene having the exciting spectrometric phenomena have been evaluated by taking the lowest temperature phase of these species in the solid. The solids HF and HCl have the same space group as C$_{2}{\nu}$, and polyethylene has a space group with D$_{2h}$. The normal modes were obtained by the valence force field with modified force constants and a quantitative description of the normal mode is adjusted by the potential energy distribution (PED). From the PED, the most fittable force constants are also obtained. We have intended to calculate the normal modes by using the smallest size of the model and the simple computational process. To remove the edge effects being occurred in constructing the single cluster model, different from the boundary condition being generally used up to now, the idea of pseudolattice method being successfully applied to MO calculations of solid was extended to normal mode analysis in order to give the same environment for all moecules in a chosen cluster. By using the above valence force field and boundary condition, we obtain the assigned frequencies and compare those results with the results obtained by others.

Recent Progress on Adsorptive Removal of Cd(II), Hg(II), and Pb(II) Ions by Post-synthetically Modified Metal-organic Frameworks and Chemically Modified Activated Carbons

  • Rallapalli, Phani Brahma Somayajulu;Choi, Suk Soon;Ha, Jeong Hyub
    • 공업화학
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    • 제33권2호
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    • pp.133-144
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    • 2022
  • Fast-paced industrial and agricultural development generates large quantities of hazardous heavy metals (HMs), which are extremely damaging to individuals and the environment. Research in both academia and industry has been spurred by the need for HMs to be removed from water bodies. Advanced materials are being developed to replace existing water purification technologies or to introduce cutting-edge solutions that solve challenges such as cost efficacy, easy production, diverse metal removal, and regenerability. Water treatment industries are increasingly interested in activated carbon because of its high adsorption capacity for HMs adsorption. Furthermore, because of its huge surface area, abundant functional groups on surface, and optimal pore diameter, the modified activated carbon has the potential to be used as an efficient adsorbent. Metal-organic frameworks (MOFs), a novel organic-inorganic hybrid porous materials, sparked an interest in the elimination of HMs via adsorption. This is due to the their highly porous nature, large surface area, abundance of exposed adsorptive sites, and post-synthetic modification (PSM) ability. This review introduces PSM methods for MOFs, chemical modification of activated carbons (ACs), and current advancements in the elimination of Pb2+, Hg2+, and Cd2+ ions from water using modified MOFs and ACs via adsorption.

산해리도가 다른 무기산에 의한 토양 입자 표면 특성 (Characteristics of composition and surface morphology of soil particles influenced by inorganic acids with different acidity)

  • 이동성;이교석;신지수;이재봉;주리나;이명연;민세원;정덕영
    • 농업과학연구
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    • 제42권3호
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    • pp.191-199
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    • 2015
  • We conducted this research to observe the changes of surface morphology and composition of clay minerals influenced by various concentrations of fluoric acid. Hydrofluoric acid (HA), a solution of hydrogen fluoride (HF) in water, is a colourless solution that is highly corrosive, capable of dissolving many materials, especially oxides. To do this, we treated several concentrations of HA on the ground soil samples collected from the agricultural experimental station located at Chungnam National University to observe the influence of fluoric acid on the changes of surface structures and elemental composition of clay particles. Generally, microscopic examination showed that the HA can not only attack an edge of clay particles but also start at any point where structural defects and weaknesses predisposed sites to acid. The orderly flake arrangement of clay minerals may reflect certain crystal symmetry elements. The ESEM-EDS results of element composition of clay particles influenced by HA indicated the changes of structures of clay minerals. It is also clear from the formation of etch figures and element composition of clay particles that the product layer at least partially dissolved or disintegrated in the presence of acid. Conclusively, the clay structures can be strongly influenced by concentrations of HA, resulting in changes of physical and chemical properties that can determine the behavior of solute transport as well as mobility of ions in soils.

Structure and action mechanism of humic substances for plant stimulations

  • Jeon, Jong-Rok;Yoon, Ho Young;Shin, Gyeong-Im;Jeong, Song Yi;Cha, Joon-Yung;Kim, Woe-Yeon
    • 한국초지조사료학회지
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    • 제38권3호
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    • pp.175-179
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    • 2018
  • Humic substances that can be obtained from coal resources such as leonardite in a bulk scale have been employed as crop stimulators and soil conditioners. The polymeric organics containing a variety of aromatic and aliphatic structures are known to activate plants in a multifunctional way, thus resulting in enhanced germination rate and abiotic stress resistance concomitant with induction of numerous genes and proteins. Although detailed structural-functional relationship of humic substances for plant stimulations has not been deciphered yet, cutting-edge analytical tools have unraveled critical features of humic architectures that could be linked to the action mechanisms of their plant stimulations. In this review article, we introduce key findings of humic structures and related biological functions that boost plant growth and abiotic stress resistance. Oxygen-based functional groups and plant hormone-like structures combined with labile and recalcitrant carbon backbones are believed to be critical moieties to induce plant stimulations. Some proteins such as HIGH-AFFINITY $K^+$ TRANSPORTER 1, phospholipase A2 and $H^+$-ATPase have been also recognized as key players that could be critically involved in humic substance-driven changes in plant physiology.

Effect of Deposition Parameters on the Morphology and Electrochemical Behavior of Lead Dioxide

  • Hossain, Md Delowar;Mustafa, Chand Mohammad;Islam, Md Mayeedul
    • Journal of Electrochemical Science and Technology
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    • 제8권3호
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    • pp.197-205
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    • 2017
  • Lead dioxide thin films were electrodeposited on nickel substrate from acidic lead nitrate solution. Current efficiency and thickness measurements, cyclic voltammetry, AFM, SEM, and X-ray diffraction experiments were conducted on $PbO_2$ surface to elucidate the effect of lead nitrate concentration, current density, temperature on the morphology, chemical behavior, and crystal structure. Experimental results showed that deposition efficiency was affected by the current density and solution concentration. The film thickness was independent of current density when deposition from high $Pb(NO_3)_2$ concentration, while it decreased for low concentration and high current density deposition. On the other hand, deposition temperature had negative effect on current efficiency more for lower current density deposition. Cyclic voltammetric study revealed that comparatively more ${\beta}-PbO_2$ produced compact deposits when deposition was carried out from high $Pb(NO_3)_2$ concentration. Such compact films gave lower charge discharge current density during cycling. SEM and AFM studies showed that deposition of regular-size sharp-edge grains occurred for all deposition conditions. The grain size for high temperature and low concentration $Pb(NO_3)_2$ deposition was bigger than from low temperature and high concentration deposition conditions. While cycling converted all grains into loosely adhered flappy deposit with numerous pores. X-ray diffraction measurement indicates that high concentration, high temperature, and high current density favored ${\beta}-PbO_2$ deposition while ${\alpha}-PbO_2$ converted to ${\beta}-PbO_2$ together with some unconverted $PbSO_4$ during cycling in $H_2SO_4$.

달성광산의 폐금속 광석의 용해메커니즘과 하상 침전물의 형성특징 (Dissolution Mechanism of Abandoned Metal Ores and Formation of Ochreous Precipitates, Dalseong Mine)

  • 추창오;이진국;정교철
    • 지질공학
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    • 제18권4호
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    • pp.577-586
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    • 2008
  • 산성광산배수는 물-암석반응의 총체적인 결과를 반영하기 때문에 수질특성과 더불어 하상에 형성되는 이차적 기원의 침전물과도 밀접한 관련성을 가진다. 이를 위하여 달성광산의 산성광산배수의 수질특징과 바닥침전물, 폐금속광물의 변질특징을 분석하였다. 하상에는 pH 5이상에서 백색의 침전물이 형성되고, pH가 $3{\sim}4$로 낮은 환경에서는 슈베르트마나이트가 형성된다. 수질은 계절에 따라서도 다르게 나타난다. 폐수처리장의 2002년 10월 수질의 경우 2003년 3월 수질보다 pH가 더 낮으며, Al, Zn, Cu의 함량은 더 높다. 반면에 2003년 3월의 수질은 pH변동이 심하며 2002년 10월 수질에 비하여 As와 Cl의 함량도 더 높게 나타난다. 흰색의 침전물에 대한 $^{27}Al$ MAS 핵자기공명분석에 따르면 Al은 대부분 팔면체자리에 분포한다. 금속광물들은 반응성이 높은 가장자리나 모서리 부분이 집중적으로 용식되거나, 벽개를 따라 변질 분해된다. 황철석의 용해작용은 특징적으로 에칭홈 또는 모서리 에지 부분에서 집중적으로 일어난다.

마디풀 추출물의 경피 전달을 위한 탄성 리포좀의 물리적 특성 및 In Vitro 피부 투과 연구 (Physical Characterizations and In Vitro Skin Permeation of Elastic Liposomes for Transdermal Delivery of Polygonum aviculare L. Extract)

  • 한샛별;권순식;정유민;공봉주;유은령;박수남
    • 폴리머
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    • 제38권6호
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    • pp.694-701
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    • 2014
  • 본 연구에서는 다양한 플라보노이드를 주성분으로 하는 마디풀 추출물의 피부 흡수를 증진시키기 위하여 인지질(PC)과 계면활성제($Tego^{(R)}$ care 450)로 구성된 탄성 리포좀(ELPs)을 제조하였으며, 그것의 물리적 특성 및 in vitro 피부 투과능을 평가하였다. 마디풀 추출물을 담지한 탄성 리포좀의 평균 입자 크기는 148.1~262.2 nm, 가변형성 지수는 11.5~25.4, 포집 효율은 53.1~66.3%로 나타났다. Franz diffusion cell을 이용한 in vitro 피부 투과 실험결과, 인지질 대 계면활성제 비율이 85:15인 ELP-4가 계면활성제가 포함되지 않은 일반 리포좀인 ELP-1보다 더 높은 피부 투과능을 갖는 것을 확인하였으며, 이를 형광 이미지 복원 현미경을 통해 가시적으로 확인하였다. 결론적으로 최적 조건으로 선정된 ELP-4는 마디풀 추출물의 피부 흡수 증진을 위한 유용한 피부 전달체로 이용될 수 있음을 확인하였다.

가시광선하에서 CdS와 CdZnS/ZnO 광촉매를 이용한 로다민 B, 메틸 오렌지 및 메틸렌 블루의 광분해 반응 (Photocatalytic Degradation of Rhodamine B, Methyl Orange and Methylene Blue with CdS and CdZnS/ZnO Catalysts under Visible Light Irradiation)

  • 전현웅;정민교;안병윤;홍민성;성상혁;이근대
    • 청정기술
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    • 제26권4호
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    • pp.311-320
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    • 2020
  • 본 연구에서는 단순 침전법으로 제조한 CdS 및 CdZnS/ZnO 광촉매를 이용하여 가시광선하에서 로다민 B, 메틸 오렌지 및 메틸렌 블루 등에 대한 광분해 반응 연구를 수행하였다. 특히 염료와 광촉매의 물리화학적 성질이 전체 광촉매 반응의 반응 경로에 미치는 영향에 대해 중점을 두고 검토하였다. X선 회절분석법, UV-vis 확산반사 분광법 그리고 X선 광전자 분광분석법 등을 이용하여 제조된 촉매들의 물리화학적 특성을 분석하였다. CdS 및 CdZnS/ZnO 광촉매 모두 자외선뿐만 아니라 가시광선 영역에 있어서도 우수한 광흡수 특성을 나타내었다. 메틸 오렌지의 경우에는 CdS 및 CdZnS/ZnO 각각의 광촉매 상에서 동일한 반응기구를 통해 반응이 진행되는 반면, 로다민 B 및 메틸렌 블루는 각각의 광촉매 상에서 서로 다른 반응 경로를 통해 광분해 반응이 진행되는 것으로 나타났다. 특히 메틸렌 블루의 광분해 반응을 보면, CdZnS/ZnO 광촉매 상에서는 주로 단일분자 형태로 전체 반응이 진행되지만, CdS 상에서는 반응 초기부터 이량체를 형성하였다. 이와 같은 결과들은 CdS 및 CdZnS/ZnO 각각의 반도체 광촉매들의 전도대의 띠끝 전위 차이와 염료들의 흡착 특성 차이에 기인한 것으로 판단된다.

Interaction of SO2 with Oxygen on Ni(100) Studied by XPS and NEXAFS

  • Kim, Chang-Min
    • Bulletin of the Korean Chemical Society
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    • 제27권12호
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    • pp.2037-2039
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    • 2006
  • The adsorption and surface reactions of $SO_2$ on Ni(100), c($2{\times}2$)_O/Ni (100) and NiO(111)/Ni(100) surfaces have been investigated using X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) technique. On Ni(100), chemisorbed $SO_2$ is formed at 160 K. When $SO_2$ is adsorbed on c($2{\times}2$)_O/Ni(100) at 160 K, $SO_2$ reacts with oxygen to form $SO_3$ and trace amount of $SO_4$ species. $SO_3$ is adsorbed on this surface with its $C_3$ axis perpendicular to the surface. On a NiO(111)/Ni(100) surface, both $SO_3$ and $SO_4$ species are formed at 160 K from adsorbed $SO_2$.

Visible-photoresponsive Nitrogen-Doped Mesoporous TiO2 Films for Photoelectrochemical Cells

  • Bae, Jae-Young;Yun, Tae-Kwan;Ahn, Kwang-Soon;Kim, Jae-Hong
    • Bulletin of the Korean Chemical Society
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    • 제31권4호
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    • pp.925-928
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    • 2010
  • Nitrogen-doped $TiO_2$ ($TiO_2$:N) nano-particles with a pure anatase crystalline structure were successfully synthesized through the hydrolysis of $TiCl_4$ in an ammonia aqueous solution. The samples were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), $N_2$-sorption, and UV-vis diffuse reflectance spectra (UV-vis DRS) techniques. The absorption edge of nitrogen-doped $TiO_2$ shifted into the visible wavelength region. The photoelectrochemical (PEC) performances were investigated for the $TiO_2$ mesoporous electrodes doped with different nitrogen concentrations. The $TiO_2$:N electrodes exhibited much higher PEC responses compared to the pure $TiO_2$ electrode because of the significantly enhanced visible-photoresponsibility of the $TiO_2$:N electrodes.