• Title/Summary/Keyword: reaction path modeling

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Formation of Acid Mine Drainage and Pollution of Geological Environment Accompanying the Sulfidation Zone of Nonmetallic Deposits: Reaction Path Modeling on the Formation of AMD of Tongnae Pyrophyllite Mine (비금속광상의 황화광염대에 수반되는 산성광산배수의 형성과 지질환경의 오염 : 동래납석광산 산성광산배수의 형성에 관한 반응경로 모델링)

  • 박맹언;성규열;고용전
    • Economic and Environmental Geology
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    • v.33 no.5
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    • pp.405-415
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    • 2000
  • This study was carried out to understand the formation of acid mine drainage (AMD) by pyrophyllite (so-called Napseok)-rainwater interaction (weathering), dispersion patterns of heavy metals, and patterns of mixing with non-polluted water in the Tongnae pyrophyllite mine. Based on the mass balance and reaction path modeling, using both the geochemistry of water and occurrence of the secondary minerals (weathering products), the geochemical evolution of AMD was simulated by computer code of SOLVEQ and CHILLER. It shows that the pH of stream water is from 6.2 to 7.3 upstream of the Tongnae mine. Close to the mine, the pH decreases to 2. Despite being diluted with non-polluted tributaries, the acidity of mine drainage water maintains as far as downstream. The results of modeling of water-rock interaction show that the activity of hydrogen ion increases (pH decreases), the goncentration of ${HCO_3}^-$ decreases associated with increasing $H^+$ activity, as the reaction is processing. The concentration of ${SO_4}^{2-}$first increases minutely, but later increases rapidly as pH drops below 4.3. The concentrations of cations and heavy metals are controlled by the dissolution of reactants and re-dissolution of derived species (weathering products) according to the pH. The continuous adding of reactive minerals, namely the progressively larger degrees of water-rock interaction, causes the formation of secondary minerals in the following sequence; goethite, then Mn-oxides, then boehmite, then kaolinite, then Ca-nontronite, then Mgnontronite, and finally chalcedony. The results of reaction path modeling agree well with the field data, and offer useful information on the geochemical evolution of AMD. The results of reaction path modeling on the formation of AMD offer useful information for the estimation and the appraisal of pollution caused by water-rock interaction as geological environments. And also, the ones can be used as data for the choice of appropriate remediation technique for AMD.

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Estimation of Geochemical Evolution Path of Groundwaters from Crystalline Rock by Reaction Path Modeling (반응경로 모델링을 이용한 결정질암 지하수의 지구화학적 진화경로 예측)

  • 성규열;박명언;고용권;김천수
    • Economic and Environmental Geology
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    • v.35 no.1
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    • pp.13-23
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    • 2002
  • The chemical compositions of groundwaters from the granite areas mainly belong to Ca-HC0$_{3}$ and Na-HC0$_{3}$type, and some of these belong to Ca-(CI+S0$_{4}$) and Na-(CI+S0$_{4}$) type. Spring waters and groundwaters from anorthosite areas belong to Ca-HC03 and Na-HC03 type, respectively. The result of reaction path modeling shows that the chemical compositions of aqueous solution reacted with granite evolve from initial Ca-CI type, via CaHC0$_{3}$ type, to Na-HC0$_{3}$ type. The result of rain water-anorthosite interaction is similar to evolution path of granite reaction and both of these results agree well with the field data. In the reaction path modeling of rain watergranite/anorthosite reaction, as a reaction is progressing, the activity of hydrogen ion decreases (pH increases). The concentrations of cations are controlled by the dissolution of rock-forming minerals and precipitation and re-dissolution of secondary minerals according to the pH. The continuous addition of granite causes the formation of secondary minerals in the following sequence; gibbsite plus hematite, Mn-oxide, kaolinite, silica, chlorite, muscovite (a proxy for illite here), calcite, laumontite, prehnite, and finally analcime. In the anorthosite reaction, the order of precipitation of secondary minerals is the same as with granite reaction except that there is no silica precipitation and paragonite precipitates instead of analcime. The silica and kaolinite are predominant minerals in the granite and anorthosite reactions, respectively. Total quantities of secondary minerals in the anorthosite reaction are more abundant than those in the granite reaction.

Gastric juice and Realgar and Orpiment Mineral Medicine Reaction; Reaction Path and Speciation Modeling in Human Body (웅황과 자황의 소화 반응과 인체내 존재형태에 대한 예측 모델링)

  • Kim Sun Ok;Park Maeng Eon;Shin Soon Shik;Kim Gyeang Cheol
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.16 no.2
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    • pp.365-372
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    • 2002
  • The mineral medicines mean a sort of mineral or rock for medical treatment and natural material using their chemical components and physical properties. In this study, it was apprehended the mineralogical characteristics of As-bearing group mineral medicines. The extraction test is an vitro test system for predicting the bioavailability of the major and minor elements from mineral medicines and incorporates gastrointestinal tract parameters representative of a human(including stomach and small intestinal pH, stomach mixing time and velocity). The results of the extraction test are used for reaction path modeling in human body. Reaction path modeling in human body can predict digestion with gastric juice as well as bioavailability, speciation. Also, it can predict accumulation of arsenic as pH condition. As the results of the extraction test for digestion, the amounts of Fe extraction was the highest, followed by As, Ca, Ni. In addition, as the results of the reaction path modeling between arsenic compounds and gastric juice using thermodynamic data, when absorbed, major species are followed by H₃As₃S/sub 6/(aq), As₃S/sub 6/ (aq), AsO/sup +/, H₂As₃S/sup 6-/, H₂AsO/sup 3-/, HAs₃S6/sup 2-/, HAsO/sub 3//sup 2-/ and AsO/sub 3//sup 3-/. Specifically the concentration of H₃As₃S/sub 6/(aq) is the highest. As pH increases, the concentration of H₂AsO/sup 3-/, HAsO/sub 3//sup 2-/, HAsO/sub 3//sup 3-/, HAs₃S/sub 6//sup 2-/, H₂As₃S/sup 6-/, and H₃As₃S/sub 6/ increases, whereas the concentration of H₃As₃S/sub 6/ and AsO/sup +/ decreases. On the results of this study, it is able to find out effective and toxic components of poisonous arsenic group of mineral medicines and expected to be widely used for the development of new medicines.

Sequential pattern load modeling and warning-system plan in modular falsework

  • Peng, Jui-Lin;Wu, Cheng-Lung;Chan, Siu-Lai
    • Structural Engineering and Mechanics
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    • v.16 no.4
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    • pp.441-468
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    • 2003
  • This paper investigates the structural behavior of modular falsework system under sequential pattern loads. Based on the studies of 25 construction sites, the pattern load sequence modeling is defined as models R (rectangle), L and U. The study focuses on the system critical loads, regions of largest reaction forces, discrepancy between the pattern load and the uniform load, and the warning-system plan. The analysis results show that the critical loads of modular falsework systems with sequential pattern loads are very close to those with the uniform load used in design. The regions of largest reaction forces are smaller than those calculated by the uniform load. However, the regions of largest reaction forces of three models under sequential pattern loads can be considered as the crucial positions of warning-system based on the measured index of loading. The positions of the sensors for the warning-system for these three different models are not identical.

Reaction Path Modelling on Geochemical Evolution of Groundwater and Formation of Secondary Minerals in Water-Gneiss Reaction System (편마암-물 반응계에서 지하수의 지화학적 진화 및 이차광물 생성에 관한 반응경로 모델링)

  • 정찬호;김천수;김통권;김수진
    • Journal of the Mineralogical Society of Korea
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    • v.10 no.1
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    • pp.33-44
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    • 1997
  • The reaction path of water-gneiss in 200m borehole at the Soorichi site of Yugu Myeon, Chungnam was simulated by the EQ3NR/EQ6 program. Mineral composition of borehole core and fracture-filling minerals, and chemical composition of groundwater was published by authors. In this study, chemical evolution of groundwater and formation of secondary minerals in water-gneiss system was modelled on the basis of published results. The surface water was used as a starting solution for reaction. Input parameters for modelling such as mineral assemblage and their volume percent, chemical composition of mineral phases, water/rock ratio reactive surface area, dissolution rates of mineral phases were determined by experimental measurement and model fit. EQ6 modelling of the reaction path in water-gneiss system has been carried out by a flow-centered flow through open system which can be considered as a suitable option for fracture flow of groundwater. The modelling results show that reaction time of 133 years is required to reach equilibrium state in water-gneiss system, and evolution of present groundwater will continue to pH 9.45 and higher na ion concentration. The secondary minerals formed from equeous phase are kaolinite, smectite, saponite, muscovite, mesolite, celadonite, microcline and calcite with uincreasing time. Modeling results are comparatively well fitted to pH and chemical composition of borehole groudwater, secondary minerals identified and tritium age of groundwater. The EQ6 modelling results are dependent on reliability of input parameters: water-rock ratio, effective reaction surface area and dissolution rates of mineral phases, which are difficult parameters to be measured.

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Numerical analysis of propagation of macrocracks in 3D concrete structures affected by ASR

  • Moallemi, S.;Pietruszczak, S.
    • Computers and Concrete
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    • v.22 no.1
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    • pp.1-10
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    • 2018
  • In this study an implicit algorithm for modeling of propagation of macrocracks in 3D concrete structures suffering from alkali-silica reaction has been developed and implemented. The formulation of the problem prior to the onset of localized deformation is based on a chemo-elasticity approach. The localized deformation mode, involving the formation of macrocracks, is described using a simplified form of the strong discontinuity approach (SDA) that employs a volume averaging technique enhanced by a numerical procedure for tracing the propagation path in 3D space. The latter incorporates a non-local smoothening algorithm. The formulation is illustrated by a number of numerical examples that examine the crack propagation pattern in both plain and reinforced concrete under different loading scenarios.

Genesis of Bonanza-style Ores in Uichang Area, Changwon City: Geochemical Interpretation by Reaction Path Modeling (창원시 의창지역 보난자형 금광상 성인 : 반응경로 모델링에 의한 지구화학적 해석)

  • Lee, Seung-han;No, Sang-gun;Park, Maeng-Eon
    • Economic and Environmental Geology
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    • v.50 no.2
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    • pp.85-96
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    • 2017
  • Gold mineralization of Samjeong and Yongjang gold mines in Uichang area shows characteristics of Bonanza-type gold deposits. Ores are mainly developed along the contact parts between quartz vein and arkosic sandstone beds(Fe-rich bed) in sedimentary rock. Electrum, silver sulfide and sulfate minerals are mainly in the ores. On the other hand, gold mineralization is less developed in cherty rock and andesitic rock than arkosic sandstone. The study highlights characteristics of gold precipitation in the deposit on the basis of numerical modelling of the reactions between the assumed hydrothermal ore fluids with multicomponent heterogeneous equilibrium calculations. Aqueous species, gases and minerals, containing electrum are included in the calculations. The reaction result between hydrothermal ore fluids and arkosic sandstone show that pH increasing in the ore-forming fluid would trigger precipitation of quartz, chlorite, sericite, chalcopyrite, galena, pyrite, electrum, actinolite and feldspar. The numerical modelling also illustrates the drastic increase of pH and desulfidation lead to precipitation of electrum. Ag/Au ratios in the ore vary with pH conditions and subsequently precipitation of silver-bearing sulfides such as acanthite and polybasite. The modelling of the reaction between andesitic rock and ore-forming fluid shows that mineral assemblages of the case are analogous to ones of the reaction between arkosic sandstone and fluid except the latter has little portion of electrum. The abovementioned modelling results suggest that gold-silver mineralization is bounded by host rocks at the study area.

Assessment of Natural Attenuation Processes in the Groundwater Contaminated with Trichloroethylene (TCE) Using Multi-Species Reactive Transport Modeling (다성분 반응 이동 모델링을 이용한 트리클로로에틸렌(TCE)으로 오염된 지하수에서의 자연저감 평가)

  • Jeen, Sung-Wook;Jun, Seong-Chun;Kim, Rak-Hyeon;Hwang, Hyoun-Tae
    • Journal of Soil and Groundwater Environment
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    • v.21 no.6
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    • pp.101-113
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    • 2016
  • To properly manage and remediate groundwater contaminated with chlorinated hydrocarbons such as trichloroethylene (TCE), it is necessary to assess natural attenuation processes of contaminants in the aquifer along with investigation of contamination history and aquifer characterization. This study evaluated natural attenuation processes of TCE at an industrial site in Korea by delineating hydrogeochemical characteristics along the flow path of contaminated groundwater, by calculating reaction rate constants for TCE and its degradation products, and by using geochemical and reactive transport modeling. The monitoring data showed that TCE tended to be transformed to cis-1,2-dichloroethene (cis-1,2-DCE) and further to vinyl chloride (VC) via microbial reductive dechlorination, although the degree was not too significant. According to our modeling results, the temporal and spatial distribution of the TCE plume suggested the dominant role of biodegradation in attenuation processes. This study can provide a useful method for assessing natural attenuation processes in the aquifer contaminated with chlorinated hydrocarbons and can be applied to other sites with similar hydrological, microbiological, and geochemical settings.

Reaction Path Modeling of Granitic Cultural Properties and Its Implication for Preservation (화강암질 석조문화재의 풍화반응경로 특성과 보존에 대한 제언)

  • Park Maeng-Eon;Sung Kyu-Youl
    • Journal of the Mineralogical Society of Korea
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    • v.18 no.2
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    • pp.83-92
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    • 2005
  • Dissolution rate of minerals may differ from climates configuration, but weathering rate of feldspars is generally proved to be relatively higher The result of geochemical reaction modeling indicates the acid water of pH 4.5 excluding any other variables, was 2.3 times higher than that in ordinary rain of pH 5.7. This result proved that pH is very important factor in preservation of granite cultural properties. To prevent the weathering of stone cultural properties, weathering characteristics of stones should be studied first and constitution of dry environments, using water repellent or oil coating, isolating water which cause chemical weathering reaction like hydration and oxidization should be considered. Considering the long-term reactions between granite and rain, selection of materials, which can bring neutralization and non-oxidization conditions, are very important in using cleaning agents and biological controls.

Standardization Studies for the Oriental Mineral Medicine (광물성 약재(광물약)의 표준화에 관한 연구)

  • Kim, Seon-Ok;Park, Maeng-Eon
    • Economic and Environmental Geology
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    • v.48 no.3
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    • pp.187-197
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    • 2015
  • Oriental mineral medicines are single or mixture of more than one mineral species or rock/fossil which are used to treat disease. Mineral medicines remove harmful or useless substances to decrease toxicity and secondary effects, and cause the manufacture of medical compounds with increased efficacy. The extraction test is an accepted in vitro system to predict the bioaccessibility of major and minor elements from mineral medicine. It incorporates gastrointerstinal tract parameters representative of a human body that including stomach and small intestinal pH which are the same as digestion condition. The bioaccessibility of a mineral medicine is the fraction that is soluble in the gastrointestinal environment and is available for absorption. Reaction path modeling in the human body can predict digestion with gastric fluid as well as absorption in the small intestine, existence in body fluids and reaction progress of the exhaust process according to pH conditions in body. Also reaction path modeling can predict bioavailability, which is equal to existence rate in the body and the form and amount of a medicine in the body after intake. The study results from predicating the existence form mineral medicines in the body, and proving the effective ingredient using bioaccessibitily and human risk assessment, suggest these that should be necessary data for new medicine development.