• Title/Summary/Keyword: 계산화학

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Effects of Temperature and Saturation on the Crystal Morphology of Aragonite (CaCO3) and the Distribution Coefficient of Strontium: Study on the Properties of Strontium Incorporation into Aragonite with respect to the Crystal Growth Rate (온도와 포화도가 아라고나이트(CaCO3)의 결정형상과 스트론튬(Sr)의 분배계수에 미치는 영향: 결정성장속도에 따른 아라고나이트 내 스트론튬 병합 특성 고찰)

  • Lee, Seon Yong;Chang, Bongsu;Kang, Sue A;Seo, Jieun;Lee, Young Jae
    • Korean Journal of Mineralogy and Petrology
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    • v.34 no.2
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    • pp.133-146
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    • 2021
  • Aragonite is one of common polymorphs of calcium carbonate (CaCO3) and formed via biological or physical processes through precipitation in many different environments including marine ecosystems. It is noted that aragonite formation and growth as well as the substitution of trace elements such as strontium (Sr) in the aragonite structure would be dependant on several key parameters such as concentrations of chemical species and temperature. In this study, properties of the incorporation of Sr into aragonite were investigated over a wide range of various saturation conditions and temperatures similar to the marine ecosystem. All pure aragonite samples were inorganically synthesized through a constant-addition method with varying concentrations of the reactive species ([Ca]=[CO3] 0.01-1 M), injection rates of the reaction solution (0.085-17 mL/min), and solution temperatures (5-40 ℃). Pure aragonite was also formed even under the Sr incorporation conditions (0.02-0.5 M, 15-40 ℃). When temperature and saturation index (SI) with respect to aragonite increased, the crystallinity and the crystal size of aragonite increased indicating the growth of aragonite crystal. However, it was difficult to interpret the crystal growth rate because the crystal growth rate calculated using BET-specific surface area was significantly influenced by the crystal morphology. The distribution coefficient of Sr (KSr) into aragonite decreased from 2.37 to 1.57 with increasing concentrations of species (Ca2+ and CO32-) at a range of 0.02-0.5 M. Similarly, it was also found that KSr decreased 1.90 to 1.54 at a range of 15-40 ℃. All KSr values are greater than 1, and the inverse correlation between the KSr and the crystal growth rate indicate that Sr incorporation into aragonite is in a compatible relationship.

Spectral Induced Polarization Characteristics of Rocks in Gwanin Vanadiferous Titanomagnetite (VTM) Deposit (관인 함바나듐 티탄철광상 암석의 광대역 유도분극 특성)

  • Shin, Seungwook
    • Geophysics and Geophysical Exploration
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    • v.24 no.4
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    • pp.194-201
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    • 2021
  • Induced polarization (IP) effect is known to be caused by electrochemical phenomena at interface between minerals and pore water. Spectral induced polarization (SIP) method is an electrical survey to localize subsurface IP anomalies while injecting alternating currents of multiple frequencies into the ground. This method was effectively applied to mineral exploration of various ore deposits. Titanomagnetite ores were being produced by a mining company located in Gonamsan area, Gwanin-myeon, Pocheon-si, Gyeonggi-do, South Korea. Because the ores contain more than 0.4 w% vanadium, the ore deposit is called as Gwanin vanadiferous titanomagnetite (VTM) deposit. The vanadium is the most important of materials in production of vanadium redox flow batteries, which can be appropriately used for large-scale energy storage system. Systematic mineral exploration was conducted to identify presence of hidden VTM orebodies and estimate their potential resources. In geophysical exploration, laboratory geophysical measurement of rock samples is helpful to generate reliable property models from field survey data. Therefore, we performed laboratory SIP data of the rocks from the Gwanin VTM deposit to understand SIP characteristics between ores and host rocks and then demonstrate the applicability of this method for the mineral exploration. Both phase and resistivity spectra of the ores sampled from underground outcrop and drilling cores were different of those of the host rocks consisting of monzodiorite and quartz monzodiorite. Because the phase and resistivity at frequencies below 100 Hz are mainly dependent on the SIP characteristics of the rocks, we calculated mean values of the ores and the host rocks. The average phase values at 0.1 Hz were ores: -369 mrad and host rocks: -39 mrad. The average resistivity values at 0.1 Hz were ores: 16 Ωm and host rocks: 2,623 Ωm. Because the SIP characteristics of the ores were different of those of the host rocks, we considered that the SIP survey is effective for the mineral exploration in vanadiferous titanomagnetite deposits and the SIP characteristics are useful for interpreting field survey data.

A Study of Fluoride Adsorption in Aqueous Solution Using Iron Sludge based Adsorbent at Mine Drainage Treatment Facility (광산배수 정화시설 철 슬러지 기반 흡착제를 활용한 수용액상 불소 흡착에 관한 연구)

  • Lee, Joon Hak;Kim, Sun Joon
    • Economic and Environmental Geology
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    • v.54 no.6
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    • pp.709-716
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    • 2021
  • In this study, an adsorbent prepared by natural drying of iron hydroxide-based sludge collected from settling basin at a mine drainage treatment facility located in Gangneung, Gangwon-do was used to remove fluoride in an artificial fluoride solution and mine drainage, and the adsorption characteristics of the adsorbent were investigated. As a result of analyzing the chemical composition, mineralogical properties, and specific surface area of the adsorbent used in the experiment, iron oxide (Fe2O3) occupies 79.2 wt.% as the main constituent, and a peak related to calcite (CaCO3) in the crystal structure analysis was analyzed. It was also identified that an irregular surface and a specific surface area of 216.78 m2·g-1. In the indoor batch-type experiment, the effect of changes in reaction time, pH, initial fluoride concentration and temperature on the change in adsorption amount was analyzed. The adsorption of fluoride showed an adsorption amount of 3.85 mg·g-1 16 hours after the start of the reaction, and the increase rate of the adsorption amount gradually decreased. Also, as the pH increased, the amount of fluoride adsorption decreased, and in particular, the amount of fluoride adsorption decreased rapidly around pH 5.5, the point of zero charge at which the surface charge of the adsorbent changes. Meanwhile, the results of the isotherm adsorption experiment were applied to the Langmuir and Freundlich isotherm adsorption models to infer the fluoride adsorption mechanism of the used adsorbent. To understand the thermodynamic properties of the adsorbent using the Van't Hoff equation, thermodynamic constants 𝚫H° and 𝚫G° were calculated using the adsorption amount information obtained by increasing the temperature from 25℃ to 65℃ to determine the adsorption characteristics of the adsorbent. Finally, the adsorbent was applied to the mine drainage having a fluoride concentration of about 12.8 mg·L-1, and the fluoride removal rate was about 50%.

Priority Analysis of Cause Factors of Safety Valve Failure Mode Using Analytical Hierarchy Process (AHP를 활용한 안전밸브(PSV) 고장모드의 Cause Factors 우선순위 분석)

  • Kim, Myung Chul;Lee, Mi Jeong;Lee, Dong Geon;Baek, Jong-Bae
    • Korean Chemical Engineering Research
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    • v.60 no.3
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    • pp.347-355
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    • 2022
  • The safety valve (PSV) is a safety device that automatically releases a spring when the pressure generated by various causes reaches the set pressure, and is restored to a normal state when the pressure falls below a certain level. Periodic inspection and monitoring of safety valves are essential so that they can operate normally in abnormal conditions such as pressure rise. However, as the current safety inspection is performed only at a set period, it is difficult to ensure the safety of normal operation. Therefore, evaluation items were developed by finding failure modes and causative factors of safety valves required for safety management. In addition, it is intended to provide decision-making information for securing safety by deriving the priority of items. To this end, a Delphi survey was conducted three times to derive evaluation factors that were judged to be important in relation to the Failure Mode Cause Factor (FMCFs) of the safety valve (PSV) targeting 15 experts. As a result, 6 failure modes of the safety valve and 22 evaluation factors of its sub-factors were selected. In order to analyze the priorities of the evaluation factors selected in this way, the hierarchical structure was schematized, and the hierarchical decision-making method (AHP) was applied to the priority calculation. As a result of the analysis, the failure mode priorities of FMCFs were 'Leakage' (0.226), 'Fail to open' (0.201), 'Fail to relieve req'd capacity' (0.152), 'Open above set pressure' (0.149), 'Spuriously' 'open' (0.146) and 'Stuck open' (0.127) were confirmed in the order. The lower priority of FMCFs is 'PSV component rupture' (0.109), 'Fail to PSV size calculation' (0.068), 'PSV Spring aging' (0.065), 'Erratic opening' (0.059), 'Damage caused by improper installation and handling' (0.058), 'Fail to spring' (0.053), etc. were checked in the order. It is expected that through efficient management of FMCFs that have been prioritized, it will be possible to identify vulnerabilities of safety valves and contribute to improving safety.

Ecological Network on Benthic Diatom in Estuary Environment by Bayesian Belief Network Modelling (베이지안 모델을 이용한 하구수생태계 부착돌말류의 생태 네트워크)

  • Kim, Keonhee;Park, Chaehong;Kim, Seung-hee;Won, Doo-Hee;Lee, Kyung-Lak;Jeon, Jiyoung
    • Korean Journal of Ecology and Environment
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    • v.55 no.1
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    • pp.60-75
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    • 2022
  • The Bayesian algorithm model is a model algorithm that calculates probabilities based on input data and is mainly used for complex disasters, water quality management, the ecological structure between living things or living-non-living factors. In this study, we analyzed the main factors affected Korean Estuary Trophic Diatom Index (KETDI) change based on the Bayesian network analysis using the diatom community and physicochemical factors in the domestic estuarine aquatic ecosystem. For Bayesian analysis, estuarine diatom habitat data and estuarine aquatic diatom health (2008~2019) data were used. Data were classified into habitat, physical, chemical, and biological factors. Each data was input to the Bayesian network model (GeNIE model) and performed estuary aquatic network analysis along with the nationwide and each coast. From 2008 to 2019, a total of 625 taxa of diatoms were identified, consisting of 2 orders, 5 suborders, 18 families, 141 genera, 595 species, 29 varieties, and 1 species. Nitzschia inconspicua had the highest cumulative cell density, followed by Nitzschia palea, Pseudostaurosira elliptica and Achnanthidium minutissimum. As a result of analyzing the ecological network of diatom health assessment in the estuary ecosystem using the Bayesian network model, the biological factor was the most sensitive factor influencing the health assessment score was. In contrast, the habitat and physicochemical factors had relatively low sensitivity. The most sensitive taxa of diatoms to the assessment of estuarine aquatic health were Nitzschia inconspicua, N. fonticola, Achnanthes convergens, and Pseudostaurosira elliptica. In addition, the ratio of industrial area and cattle shed near the habitat was sensitively linked to the health assessment. The major taxa sensitive to diatom health evaluation differed according to coast. Bayesian network analysis was useful to identify major variables including diatom taxa affecting aquatic health even in complex ecological structures such as estuary ecosystems. In addition, it is possible to identify the restoration target accurately when restoring the consequently damaged estuary aquatic ecosystem.

Mass Balance of Salts, DIP, DIN and DON in the Gomso Tidal Flat (곰소만 조간대에서 Salts, DIP, TDN의 물질 수지)

  • Jeong Yong-Hoon;Kim Yeong-Tae;Kim Ki-Hyun;Kim Soh-Young;Kim Byung-Hoon;Yang Jae-Sam
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.11 no.2
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    • pp.68-81
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    • 2006
  • As one of the on-going projects to investigate the biogeochemical characteristics of tidal flat, we develop seasonal mass balance calculations (or DIP, DIN and DON in Gomso Bay. We have obtained 13-hours time-series data of salinity, tidal current, nutrients, and chlorophyll-a of seawater for spring, dry summer, rainy summer and winter during $1999{\sim}2000$. DIP of $-1.10{\times}10^6g\;P\;day^{-1},\;-4.50{\times}10^5g\;P\;day^{-1}$ was out-fluxed from the bay to the bay proper for spring and dry summer, respectively. Whereas $1.06{\times}10^4g\;P\;day^{-1}$ of net influx of DIP was found during winter and $2.72{\times}10^6g\;P\;day^{-1}$ of net influx was also found during the rainy summer. Therefore we suggest the role of Gomso tidal flat as a source of DIP fur the seasons of spring and summer, but as an opposite role during the rainy summer and winter but much smaller in magnitude. Except winter, the advection process by tidal current is found the most dominant flux among the diverse fluxes of DIP in the bay. Whereas ground water is estimated as the strongest flux of TDN except winter. TDN of $1.38{\times}10^7g\;N\;day^{-1},\;2.45{\times}10^6g\;N\;day^{-1},\;and\;4.65{\times}10^7g\;N\;day^{-1}$ was in-fluxed to the bay from the bay proper far spring, rainy summer and summer, respectively. Only $-1.70{\times}10^7g\;N\;day^{-1}$ of net out-flux was found during the winter. Therefore we suggest the role of Gomso tidal flat as a sink of TDN far the year round except winter.

Antimicrobial effect of infrared diode laser utilizing indocyanine green against Staphylococcus aureus biofilm on titanium surface (티타늄 표면에 형성한 Staphylococcus aureus 바이오필름에 대한 인도시아닌 그린을 활용한 광역학치료의 항미생물 효과)

  • Seung Gi Kim;Si-Young Lee;Jong-Bin Lee;Heung-Sik Um;Jae-Kwan Lee
    • Journal of Dental Rehabilitation and Applied Science
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    • v.40 no.2
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    • pp.55-63
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    • 2024
  • Purpose: This study aimed to assess the antimicrobial efficacy of an 810-nm infrared diode laser with indocyanine green (ICG) against Staphylococcus aureus on sandblasted, large grit, and acid-etched (SLA) titanium surfaces, comparing its effectiveness with alternative chemical decontamination modalities. Materials and Methods: Biofilms of S. aureus ATCC 25923 were cultured on SLA titanium disks for 48 hours. The biofilms were divided into five treatment groups: control, chlorhexidine gluconate (CHX), tetracycline (TC), ICG, and 810-nm infrared diode laser with ICG (ICG-PDT). After treatment, colony-forming units were quantified to assess surviving bacteria, and viability was confirmed through confocal laser-scanning microscope (CLSM) imaging. Results: All treated groups exhibited a statistically significant reduction in S. aureus (P < 0.05), with notable efficacy in the CHX, TC, and ICG-PDT groups (P < 0.01). While no statistical difference was observed between TC and CHX, the ICG-PDT group demonstrated superior bacterial reduction. CLSM images revealed a higher proportion of dead bacteria stained in red within the ICG-PDT groups. Conclusion: Within the limitations, ICG-PDT effectively reduced S. aureus biofilms on SLA titanium surfaces. Further investigations into alternative decontamination methods and the clinical impact of ICG-PDT on peri-implant diseases are warranted.

An Investigation of the Current Squeezing Effect through Measurement and Calculation of the Approach Curve in Scanning Ion Conductivity Microscopy (Scanning Ion Conductivity Microscopy의 Approach Curve에 대한 측정 및 계산을 통한 Current Squeezing 효과의 고찰)

  • Young-Seo Kim;Young-Jun Cho;Han-Kyun Shin;Hyun Park;Jung Han Kim;Hyo-Jong Lee
    • Journal of the Microelectronics and Packaging Society
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    • v.31 no.2
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    • pp.54-62
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    • 2024
  • SICM (Scanning Ion Conductivity Microscopy) is a technique for measuring surface topography in an environment where electrochemical reactions occur, by detecting changes in ion conductivity as a nanopipette tip approaches the sample. This study includes an investigation of the current response curve, known as the approach curve, according to the distance between the tip and the sample. First, a simulation analysis was conducted on the approach curves. Based on the simulation results, then, several measuring experiments were conducted concurrently to analyze the difference between the simulated and measured approach curves. The simulation analysis confirms that the current squeezing effect occurs as the distance between the tip and the sample approaches half the inner radius of the tip. However, through the calculations, the decrease in current density due to the simple reduction in ion channels was found to be much smaller compared to the current squeezing effect measured through actual experiments. This suggests that ion conductivity in nano-scale narrow channels does not simply follow the Nernst-Einstein relationship based on the diffusion coefficients, but also takes into account the fluidic hydrodynamic resistance at the interface created by the tip and the sample. It is expected that SICM can be combined with SECM (Scanning Electrochemical Microscopy) to overcome the limitations of SECM through consecutive measurement of the two techniques, thereby to strengthen the analysis of electrochemical surface reactivity. This could potentially provide groundbreaking help in understanding the local catalytic reactions in electroless plating and the behaviors of organic additives in electroplating for various kinds of patterns used in semiconductor damascene processes and packaging processes.

Janggunite, a New Mineral from the Janggun Mine, Bonghwa, Korea (경북(慶北) 봉화군(奉化郡) 장군광산산(將軍鑛山産) 신종광물(新種鑛物) 장군석(將軍石)에 대(對)한 광물학적(鑛物學的) 연구(硏究))

  • Kim, Soo Jin
    • Economic and Environmental Geology
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    • v.8 no.3
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    • pp.117-124
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    • 1975
  • Wet chemical analysis (for $MnO_2$, MnO, and $H_2O$(+)) and electron microprobe analysis (for $Fe_2O_3$ and PbO) give $MnO_2$ 74.91, MnO 11.33, $Fe_2O_3$ (total Fe) 4.19, PbO 0.03, $H_2O$ (+) 9.46, sum 99.92%. 'Available oxygen determined by oxalate titration method is allotted to $MnO_2$ from total Mn, and the remaining Mn is calculated as MnO. Traces of Ba, Ca, Mg, K, Cu, Zn, and Al were found. Li and Na were not found. The existence of (OH) is verified from the infrared absorption spectra. The analysis corresponds to the formula $Mn^{4+}{_{4.85}}(Mn^{2+}{_{0.90}}Fe^{3+}{_{0.30}})_{1.20}O_{8.09}(OH)_{5.91}$, on the basis of O=14, 'or ideally $Mn^{4+}{_{5-x}}(Mn^{2+},Fe^{3+})_{1+x}O_{8}(OH)_{6}$ ($x{\approx}0.2$). X-ray single crystal study could not be made because of the distortion of single crystals. But the x-ray powder pattern is satisfactorily indexed by an orthorhombic cell with a 9.324, b 14.05, c $7.956{\AA}$., Z=4. The indexed powder diffraction lines are 9.34(s) (100), 7.09(s) (020), 4.62(m) (200, 121), 4.17(m) (130), 3.547(s) (112), 3.212(vw) (041), 3.101(s) (300), 2.597(w) (013), 2.469(m) (331), 2.214(vw)(420), 2.098(vw) (260), 2.014 (vw) (402), 1.863(w) (500), 1.664(w) (314), 1.554(vw) (600), 1.525(m) (601), 1.405(m) (0.10.0). DTA curve shows the endothermic peaks at $250-370^{\circ}C$ and $955^{\circ}C$. The former is due to the dehydration: and oxidation forming$(Mn,\;Fe)_2O_3$(cubic, a $9.417{\AA}$), and the latter is interpreted as the formation of a hausmannite-type oxide (tetragonal, a 5.76, c $9.51{\AA}$) from $(Mn,\;Fe)_2O_3$. Infrared absorption spectral curve shows Mn-O stretching vibrations at $515cm^{-1}$ and $545cm^{-1}$, O-H bending vibration at $1025cm^{-1}$ and O-H stretching vibration at $3225cm^{-1}$. Opaque. Reflectance 13-15%. Bireflectance distinct in air and strong in oil. Reflection pleochroism changes from whitish to light grey. Between crossed nicols, color changes from yellowish brown with bluish tint to grey in air and yellowish brown to grey through bluish brown in oil. No internal reflections. Etching reactions: HCl(conc.) and $H_2SO_4+H_2O_2$-grey tarnish; $SnCl_2$(sat.)-dark color; $HNO_3$(conc.)-grey color; $H_2O_2$-tarnish with effervescence. It is black in color. Luster dull. Cleavage one direction perfect. Streak brownish black to dark brown. H. (Mohs) 2-3, very fragile. Specific gravity 3.59(obs.), 3.57(calc.). It occurs as radiating groups of flakes, flower-like aggregates, colloform bands, dendritic or arborescent masses composed of fine grains in the cementation zone of the supergene manganese oxide deposits of the Janggun mine, Bonghwa-gun, southeastern Korea. Associated minerals are calcite, nsutite, todorokite, and some undetermined manganese dioxide minerals. The name is for the mine, the first locality. The mineral and name were approved before publication by the Commission on New Minerals and Mineral Names, I.M.A.

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IR Study on the Adsorption of Carbon Monoxide on Silica Supported Ruthenium-Nickel Alloy (실리카 지지 루테늄-니켈 합금에 있어서 일산화탄소의 흡착에 관한 IR 연구)

  • Park, Sang-Youn;Yoon, Dong-Wook
    • Applied Chemistry for Engineering
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    • v.17 no.4
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    • pp.349-356
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    • 2006
  • We have investigated adsorption and desorption properties of CO adsorption on silica supported Ru/Ni alloys at various Ru/Ni mole content ratio as well as CO partial pressures using Fourier transform infrared spectrometer (FT-IR). For Ru-$SiO_{2}$ sample, four bands were observed at $2080.0cm^{-1}$, $2021.0{\sim}2030.7cm^{-1}$, $1778.9{\sim}1799.3cm^{-1}$, $1623.8cm^{-1}$ on adsorption and three bands were observed at $2138.7cm^{-1}$, $2069.3cm^{-1}$, $1988.3{\sim}2030.7cm^{-1}$ on vacumn desorption. For Ni-$SiO_{2}$ sample, four bands were observed at $2057.7cm^{-1}$, $2019.1{\sim}2040.3cm^{-1}$, $1862.9{\sim}1868.7cm^{-1}$, $1625.7cm^{-1}$ on adsorption and two bands were observed at $2009.5{\sim}2040.3cm^{-1}$, $1828.4{\sim}1868.7cm^{-1}$ on vacumn desorption. These absorption bands correspond with those of the previous reports approximately. For Ru/Ni(9/1, 8/2, 7/3, 6/4, 5/5; mole content ratio)-$SiO_{2}$ samples, three bands were observed at $2001.8{\sim}2057.7cm^{-1}$, $1812.8{\sim}1926.5cm^{-1}$, $1623.8{\sim}1625.7cm^{-1}$ on adsorption and three bands were observed at $2140.6cm^{-1}$, $2073.1cm^{-1}$, $1969.0{\sim}2057.7cm^{-1}$ on vacumn desorption. The spectrum pattern observed for Ru/Ni-$SiO_{2}$ sample at 9/1 Ru/Ni mole content ratio on CO adsorption and on vacumn desorption is almost like the spectrum pattern observed for Ru-$SiO_{2}$ sample. But the spectrum patterns observed for Ru/Ni-$SiO_{2}$ samples under 8/2 Ru/Ni mole content ratio on CO adsorption and vacumn desorption are almost like the pattern observed for $Ni-SiO_{2}$ sample. It may be suggested surfaces of alloy clusters on the Ru/Ni-$SiO_{2}$ samples contain more Ni components than the mole content ratio of the sample considering the above phenomena. With Ru/Ni-$SiO_{2}$ samples the absorption band shifts may be ascribed to variations of surface concentration, strain variation due to atomic size difference, variation of bonding energy and electronic densities, and changes of surface geometries according to surface concentration variation. Studies for CO adsorption on Ru/Ni alloy cluster surface by LEED and Auger spectroscopy, interation between Ru/Ni alloy cluster and $SiO_{2}$, and MO calculation for the system would be needed to look into the phenomena.