• Title/Summary/Keyword: Equilibrium calculations

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Corrosion Behavior of Bimetal Materials (Fe-Ni / Fe-Ni-Mo) for Electromagnetic Switches (전자 개폐기용 바이메탈 소재(Fe-Ni / Fe-Ni-Mo)의 부식거동)

  • Yu-Jeong An;Eun-Hye Hwang;Jae-Yeol Jeon;Sung Jin Kim
    • Corrosion Science and Technology
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    • v.22 no.6
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    • pp.478-483
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    • 2023
  • This study examined the corrosion behavior of bimetal materials composed of Fe-Ni alloy and Fe-Ni-Mo alloy, both suitable for use in electromagnetic switches. Electrochemical polarization and weight loss measurements revealed that, in contrast to Fe-Ni alloy, which exhibited pseudo-passivity behavior, Fe-Ni-Mo alloy had higher anodic current density, displaying only active dissolution and greater weight loss. This indicated a lower corrosion resistance in the Fe-Ni-Mo alloy. Equilibrium calculations for the phase fraction of precipitates suggested that the addition of 1 wt% Mo may lead to the formation of second-phase precipitates, such as Laves and M6C, in the γ matrix. These precipitates might degrade the homogeneity of the passive film formed on the surface, leading to localized attacks during the corrosion process. Therefore, considering the differences in corrosion kinetics between these bimetal materials, the early degradation caused by galvanic corrosion should be prevented by designing a new alloy, optimizing heat treatment, or implementing periodic in-service maintenance.

Glass Dissolution Rates From MCC-1 and Flow-Through Tests

  • Jeong, Seung-Young
    • Proceedings of the Korean Radioactive Waste Society Conference
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    • 2004.06a
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    • pp.257-258
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    • 2004
  • The dose from radionuclides released from high-level radioactive waste (HLW) glasses as they corrode must be taken into account when assessing the performance of a disposal system. In the performance assessment (PA) calculations conducted for the proposed Yucca Mountain, Nevada, disposal system, the release of radionuclides is conservatively assumed to occur at the same rate the glass matrix dissolves. A simple model was developed to calculate the glass dissolution rate of HLW glasses in these PA calculations [1]. For the PA calculations that were conducted for Site Recommendation, it was necessary to identify ranges of parameter values that bounded the dissolution rates of the wide range of HLW glass compositions that will be disposed. The values and ranges of the model parameters for the pH and temperature dependencies were extracted from the results of SPFT, static leach tests, and Soxhlet tests available in the literature. Static leach tests were conducted with a range of glass compositions to measure values for the glass composition parameter. The glass dissolution rate depends on temperature, pH, and the compositions of the glass and solution, The dissolution rate is calculated using Eq. 1: $rate{\;}={\;}k_{o}10^{(ph){\eta})}{\cdot}e^{(-Ea/RT)}{\cdot}(1-Q/K){\;}+{\;}k_{long}$ where $k_{0},\;{\eta}$ and Eaare the parameters for glass composition, pH, $\eta$ and temperature dependence, respectively, and R is the gas constant. The term (1-Q/K) is the affinity term, where Q is the ion activity product of the solution and K is the pseudo-equilibrium constant for the glass. Values of the parameters $k_{0},\;{\eta}\;and\;E_{a}$ are the parameters for glass composition, pH, and temperature dependence, respectively, and R is the gas constant. The term (1-Q/C) is the affinity term, where Q is the ion activity product of the solution and K is the pseudo-equilibrium constant for the glass. Values of the parameters $k_0$, and Ea are determined under test conditions where the value of Q is maintained near zero, so that the value of the affinity term remains near 1. The dissolution rate under conditions in which the value of the affinity term is near 1 is referred to as the forward rate. This is the highest dissolution rate that can occur at a particular pH and temperature. The value of the parameter K is determined from experiments in which the value of the ion activity product approaches the value of K. This results in a decrease in the value of the affinity term and the dissolution rate. The highly dilute solutions required to measure the forward rate and extract values for $k_0$, $\eta$, and Ea can be maintained by conducting dynamic tests in which the test solution is removed from the reaction cell and replaced with fresh solution. In the single-pass flow-through (PFT) test method, this is done by continuously pumping the test solution through the reaction cell. Alternatively, static tests can be conducted with sufficient solution volume that the solution concentrations of dissolved glass components do not increase significantly during the test. Both the SPFT and static tests can ve conducted for a wide range of pH values and temperatures. Both static and SPFt tests have short-comings. the SPFT test requires analysis of several solutions (typically 6-10) at each of several flow rates to determine the glass dissolution rate at each pH and temperature. As will be shown, the rate measured in an SPFt test depends on the solution flow rate. The solutions in static tests will eventually become concentrated enough to affect the dissolution rate. In both the SPFt and static test methods. a compromise is required between the need to minimize the effects of dissolved components on the dissolution rate and the need to attain solution concentrations that are high enough to analyze. In the paper, we compare the results of static leach tests and SPFT tests conducted with simple 5-component glass to confirm the equivalence of SPFT tests and static tests conducted with pH buffer solutions. Tests were conducted over the range pH values that are most relevant for waste glass disssolution in a disposal system. The glass and temperature used in the tests were selected to allow direct comparison with SPFT tests conducted previously. The ability to measure parameter values with more than one test method and an understanding of how the rate measured in each test is affected by various test parameters provides added confidence to the measured values. The dissolution rate of a simple 5-component glass was measured at pH values of 6.2, 8.3, and 9.6 and $70^{\circ}C$ using static tests and single-pass flow-through (SPFT) tests. Similar rates were measured with the two methods. However, the measured rates are about 10X higher than the rates measured previously for a glass having the same composition using an SPFT test method. Differences are attributed to effects of the solution flow rate on the glass dissolution reate and how the specific surface area of crushed glass is estimated. This comparison indicates the need to standardize the SPFT test procedure.

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A Study on the Reactivity Effect due to Expansion of Diagrid and Pad (Diagram와 Pad의 팽창에 의한 반응도 효과에 대한 연구)

  • Young In Kim;Keun Bae Oh;Kun Jong Yoo;Mann Cho
    • Nuclear Engineering and Technology
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    • v.16 no.2
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    • pp.70-79
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    • 1984
  • With the help of the nuclear computational system for a large LMFBR (KAERI-26 group cross section library/1DX/2DB), the reactivity coefficients for the diagrid expansion and the pad expansion at the beginning of cycle of the equilibrium core of SUPER-PHENIX I are calculated and reviewed. the core is described using R-Z geometry model, and a two-dimensional multigroup diffusion theory is used. For reference cases, reactivity calculations for radial and axial uniform expansion are performed, and also calculated are reactivity variations due to changes in material density and core volume. The reactivity coefficient for the diagrid expansion is calculated to be -0.553pcm/mil. The temperature coefficient corresponding to the above value is -1.0766pcm/$^{\circ}C$ and is well in accord with the French datum of -1.09pcm/$^{\circ}C$ within 1.2% difference. With the use of 4he calculational method for the diagrid expansion effect, reactivity calculations for the pad expansion bringing about nonuniform expansion are performed, which show that the calculational method is very useful in the analysis of the pad expansion effect. The reactivity coefficients for the pad expansion are calculated to be -0.2743 pcm/mil and -0.2786pcm1mi1 for the averaged expansion model and for the integrated pancake model, respectively. Under the assumption of the free expanding core the temperature reactivity coefficients for each model are obtained to be -0.5766pcm/$^{\circ}C$ and -0.5858pcm/$^{\circ}C$, both of which agree with the French datum of -0.574pcm/$^{\circ}C$ within 2% difference.

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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.

Prediction of Tcv for Coal Slags under Reducing Condition (환원 조건에서 석탄 슬래그의 Tcv 예측)

  • Park, Yoonkyung;Oh, Myungsook
    • Korean Chemical Engineering Research
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    • v.44 no.6
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    • pp.623-630
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    • 2006
  • The slag viscosity is an important factor determining the operation temperature of entrained flow type of gasifiers. The temperature of critical viscosity, $T_{cv}$, for 5 crystalline slags was predicted by empirical models and FactSage equilibrium calculations, and the validity of each method was tested. Two empirical models were employed: one using $T_h$ from the ash fusion test, and the other using the concentrations of 5 major components. The first model using $T_h$ over-predicted $T_{cv}$ by $20{\sim}100^{\circ}C$, while the model based on the slag composition under-predicted $T_{cv}$ by $80{\sim}120^{\circ}C$. In the equlibrium calculations, $T_{cv}$ was obtained from the liquidus temperature. When the 4-major component concentrations were used in the calculation, the predicted temperatures were higher than the observed. The liquidus temperature was very sensitive to the concentrations of minor components, and the addition of MgO and $Na_2O$ lowered the liquidus temperature. The results with 4 major and 3 minor components most closely described experimentally observed $T_{cv}$. In the case that a chromia refractory was used, it was shown that $Cr_2O_3$ concentration in the slag also needs to be included for more accurate prediction of $T_{cv}$.

Carbon Dioxide Reforming of Methane over a Ni/KIT-1 Catalyst (Ni/KIT-1 촉매를 이용한 메탄의 이산화탄소 개질반응 연구)

  • Ryn, Seong-Yun;Ahn, Wha-Seung;Park, Sang-Eon
    • Applied Chemistry for Engineering
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    • v.9 no.7
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    • pp.1070-1078
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    • 1998
  • Thermodynamic analysis on carbon dioxide reforming of methane was performed using a computer program which can handle condensed species in the products, and the reforming experiments were conducted over $Al_2O_3$, $La_2O_3$, ZSM-5, MCM-41, KIT-1 supported nickel catalysts, and a commercial ICI 46-1. It was estabished that a system which consists of $CH_4$, $CO_2$, CO, $H_2$, $H_2O$, and C is appropriate for theoretical equilibrium calculations and addition of water vapor or oxygen was found to diminish the contribution of carbon dioxide in reforming. Silicate molecular sieve-supported catalysts such as Ni/ZSM-5, Ni/MCM-41, Ni/KIT-1 were effective for high $CH_4$ and $CO_2$ conversions as well as for high CO yield. Coke formation was suppressed when CaO was added as a promoter. Ni/Ca/KIT-1 which contains 10% Ni with 3% Ca showed conversion approaching equilibrium levels above $650^{\circ}C$ and maintained constant activity over 20 h. Despite increased space velocity, relatively high conversion and CO yield were observed.

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Calculation of Combustion Stability Limits Using Linear Stability Analysis in Liquid Rocket Engines (액체 로켓엔진에서 선형 연소 불안정 해석을 이용한 연소 안정한계 곡선 계산)

  • Sohn, Chae-Hoon;Moon, Yoon-Wan;Huh, Hwan-Il
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.32 no.10
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    • pp.93-101
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    • 2004
  • A method to calculate stability limits is investigated to predict the characteristics of high-frequency combustion instability in liquid-propellant rocket engine. It is based on the theory of linear stability analysis proposed in previous works and useful to predict combustion stability at the beginning stage of engine development. The system of equations governing reactive flow in combustor has the simplified and linearized forms. The overall equation expressing stability limits is adopted. The procedures to evaluate quantitatively each term included in the equation are proposed. The thermo-chemical properties and flow variables required in the evaluation can be obtained from calculation of thermodynamic equilibrium, CFD results, and experimental test data. Based on the existent data, stability limits are calculated with actual rocket engine (KSR-III rocket engine). The present calculations show the reasonable stability limits in a quantitative manner and the stability characteristics of the engine are discussed. The prediction from linear stability analysis could be serve as the first approximation to the true prediction.

Development of a 3-Dimensional Turbulent Reaction Computer program for the Incineration of a Carbon Tetrachloride($CCl_4$) ( I ) (사염화탄소($CCl_4$) 소각을 위한 로타리 킬른 소각로 3차원 난류반응 컴퓨터 프로그램 개발( I ))

  • 엄태인;장동순
    • Journal of the Korean Society of Safety
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    • v.9 no.1
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    • pp.100-109
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    • 1994
  • In this study, it is investigated that the possibility of the numerical simulation for the incineration of the hazardous material, crbon tetrachloride($CCl_4$). A 3-dimensional numerical technology is applied for turbulent reacting flows of the full-scale Dow Chemical incinerator. The calculations are made by a CRAY-2S, super computer. The major parameters considered in this study are kiln revolution rate (rpm), filling ratio of the solid waste(f), burner Injection velocity and angle, and turbulent air jets for swirl. And the employed turbulent reaction model is the eddy break-up model which is a kind of fast chemistry model assuming general equilibrium and used for a premixed flame. The calculated flow fields are presented and discussed. 1) The presence of turbulent air nozzles for swirl gives rise to visible increase of the convective motion over the region of the solid waste. This implies the possibility to enhance the mixing of the waste with the surrounding all and thereby to reduce thermal and species stratification, which were reported in a large rotary kiln operation. 2) Considering that the location of the recirculation region has a strong relation with the heating rate of the solid waste, the control of the recirculation region by the burner injection angle Is quite desirable in the sense of the flexible design of the rotary kiln incinerator for a carbon tetrachloride. 3) Finally, it is found that the eddy break-up model Is not suitable for carbon tetrachloride($CCl_4$) because this model is not incorporated the flame inhibition trend due to the presence $CCl_4$compound.

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Neutron Generation from a 24 MV Medical Linac (24 MV 의료용 선형가속기의 중성자 발생에 관한 연구)

  • Jeong Dong Hyeok;Kang Jeong Ku;Lee Jeong Ok
    • Progress in Medical Physics
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    • v.16 no.2
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    • pp.97-103
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    • 2005
  • The energy spectra and dose calculations were performed for secondary neutrons from a 24 MV LINAC using MCNPX code (V2, 4, 0). The energy spectra for neutrons and photons emitted from the LINAC head, and absorbed dose to water were calculated in water phantom. The absorbed doses calculated with Monte Carlo were $0.66\~0.35$ mGy/photon Gy at the surface to d=5 cm, and calculated with interaction data was 0.52 mGy/photon Gy at the depth of electron equilibrium in water. We have shown that this work can be applied to dose estimation of neutrons from high energy LINAC through the comparison of our results with other results.

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Genesis of Clay Minerals in the Vicinity of Gwangpo Bay, Southern Coast of Korea (광포만 집수유역내에 분포하는 점토광물의 성인에 관한 연구)

  • PARK Maeng-Eon;SONG Yong-Sun;KIM Hee-Joon;KIM Dae-Choul;PAIK In-Sung;CHUNG Sang-Yong;SONG Shi-Tae
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.21 no.4
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    • pp.259-268
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    • 1988
  • Clay deposits in the vicinity of the Gwangpo Bay, southern coast of Korea, occur restrictively in anorthositic masses. Laumontite and meta-halloysite are the predominant clay minerals with iron oxides at the uppermost surface. Chlorite and halloysite occur in deeper zone. Beneath the main clay horizon, but not above, some anorthositic rocks are pervasively altered to quartz, sericite, chlorite, pyrite and montmorillonite along the hydrothermal channels. The hypotheses of hydrothermal and weathering origins of the clay minerals are tested by multi-component equilibrium calculations of the reactions of modified hydrothermal water and rain water with anorthositic rocks at $100^{\circ}C\;and\;25^{\circ}C$, respectively. The calculated mineralogy from the reaction with rain water resembles natural mineral assemblage except for abundance in laumontite. The result implies that the weathering process is the main machanism of the formation of clay deposits in the area.

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