• Mineral and Industry
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• v.19 no.1
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• pp.1-12
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• 2006

• Journal of the Mineralogical Society of Korea
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• v.31 no.4
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• pp.325-325
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• 2018

• Journal of the Mineralogical Society of Korea
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• v.32 no.4
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• pp.323-323
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• 2019

• Journal of the Mineralogical Society of Korea
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• v.27 no.4
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• pp.271-281
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• 2014

The physicochemical properties of clay minerals have been investigated at the atomistic to nano scale. The microscopic studies are often challenging to perform by using experimental approaches alone. In particular, hydroxyl groups of octahedral sheets in 2:1 clay minerals have been hypothesized to impact the sorption process of metal cations; however, X-ray based techniques alone, a common tool for mineral structure examination, cannot properly test the hypothesis. The current study has examined whether computational mineralogy techniques can be applied to examine the hydroxyl structures of clay minerals. Based on quantum-mechanics and molecular-mechanics computational methods, geometry optimizations were carried out for representative dioctahedral and trioctahedral phyllosilicate minerals. Both methods well reproduced the experimental lattice parameters; however, for structural distortion occurring in the tetrahedral or octahedral sheets, molecular mechanics showed significant deviations from experimental data. The orientation angle of the hydroxyl with respect to (001) basal plane is determined by the balance of repulsion between the hydroxyl proton and Si cations of tetrahedral sites; the quantum-mechanics method predicted $25-26^{\circ}$ for the angle, whereas the angle predicted by the molecular-mechanics method was much higher by $10^{\circ}$ (i.e., $35^{\circ}$). These results demonstrate that computational mineralogy techniques are a reliable tool for clay mineral studies and can be used to further elucidate the roles of hydroxyls in metal sorption process.

• Mineral and Industry
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• v.18 no.2
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• pp.42-43
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• 2005

• Journal of the Mineralogical Society of Korea
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• v.31 no.3
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• pp.227-227
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• 2018

• Journal of the Mineralogical Society of Korea
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• v.23 no.2
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• pp.161-170
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• 2010

Many microbes, including both bacteria and fungi, produce manganese (Mn) oxides by oxidizing soluble Mn(II) to form insoluble Mn(IV) oxide minerals, a kinetically much faster process than abiotic oxidation. These biogenic Mn oxides drive the Mn cycle, coupling it with diverse biogeochemical cycles and determining the bioavailability of environmental contaminants, mainly through strong adsorption and redox reactions. This mini review introduces recent findings based on quantum mechanical density functional theory that reveal the detailed mechanisms of toxic metal adsorption at Mn oxide surfaces and the remarkable role of Mn vacancies in the photochemistry of these minerals.

• Journal of the Mineralogical Society of Korea
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• v.7 no.2
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• pp.97-110
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• 1994

고사리광산의 도석에는 다량의 석영과 함께 녹니석/스멕타이트 혼합층광물, 운도/스멕타이트 혼합층광물, 카오리나이트와 같은 점토광물이 산출한다. 이들 점토광물에 대해 주로 X-선회전분석과 화학분석 등을 이용하여 광물학적 특성을 검토하였다. 이 광산의 도석은 녹니석/스멕타이트 혼합층광물을 다량 함유하는 것이 특징으로 나타났다. 이 녹니석/스멕타이트 혼합층광물은 Li을 함유하는 돈바싸이트로 된 녹니석층과 바이델라이트에 가까운 스apr타이트층으로 구성된 혼합층구조를 이룬다. 이 곳에 산출하는 운모/스멕타이트 혼합층광물은 모두 약 15% 이하의 팽윤층을 포함하는 것으로 되어 있다.이 광산의 도석은 백악기의 유문암 및 유문암질 응회암이 열수변질작용을 받아 형성된 것으로 나타났다. 점토광물조합의 분포상태에 의해 대략적인 변질분대가 나누어진다. 중심부인 강변질대에서는 다량의 녹니석/스텍타이트 혼합층광물이 나타나며 카오리나이트가 수받되기도 한다. 그 외곽지역의 약변질대에서는 점토광물로서 운모/스멕타이트 혼합층광물이 주로 나타난다. 카오리나이트는 주로 열극이나 그 주위에 국부적으로 산출되는 경향이 있다. 이와 같은 변질광물의 산출상태로 볼 때 변질작용의 진행에 따라 운모/스멕타이트 혼합층광물이 먼저 형성된 후 이것의 일부가 녹니석/스맥타이트 혼합층광물 및 카오리나이트로 변화된 것으로 생각된다. 도 카오리나이트는 열수의 공급이 많은 열극부에서 녹니석/스멕타이트 혼합층 광물과 거의 동시기에 침전된 것으로 생각된다. 이 광산에서 산출하는 일부 운모/스멕타이트 혼합층광물은 후기의 변질작용에 의해 형성된 것도 포함된다.

• Mineral and Industry
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• v.25
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• pp.63-73
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• 2012

• Journal of the Mineralogical Society of Korea
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• v.24 no.3
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• pp.225-234
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• 2011

The mineralogy and mixing state were investigated by the high resolution scanning electron microscopy combined with energy-dispersive X-ray analysis on particles of the total suspended solid (TSP) samples collected during the Asian dust event, spring, 2009. Relatively large particles were dominated by quartz, plagioclase, K-feldspar, amphibole, biotite, muscovite, chlorite, and calcite. Clay minerals usually occur as thin coatings on the coarse minerals or as aggregates. Calcite nanofibers are often admixed with clay platelets in the clay coatings and aggregates. Dust particles were classified on the basis of their main minerals. The single-particle mineralogy and mixing state of the TSP sample are consistent with those of $PM_{10}$ samples in previous studies.