• Title/Summary/Keyword: Gibbs

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Adsorbed Water in Soil a Interpreted by Its Potentials Based on Gibbs Function (Gibbs 함수의 포텐샬로 해석한 토양 흡착수)

  • 오영택;신제성
    • Journal of the Mineralogical Society of Korea
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    • v.9 no.1
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    • pp.17-25
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    • 1996
  • Usual experimental adsorption isotherms as a function of relative humidity were constructed from adsorbed water contents in soils, which were kept more than 2 days in vacuum desiccators with constant humidities controlled by sulfuric acids of various concentrations. From the experimental data, the adsorption surface areas were calculated on the basis of the existing adsorption theory, such as Langmuir, BET, and Aranovich. Based on the Gibbs function describing chemical potential of perfect gas, the relative humidities in the desiccators were transformed into their chemical potentials, which were assumed to be the same as the potentials of equilibratedly adsorbed water in soils. Moreover, the water potentials were again transformed into the equivalent capillary pressures, heads of capillary rise, and equivalent radius of capillary pores, on the basis of Laplace equation for surface tension pressure of spherical bubbles in water. Adsorption quantity distributions were calculated on the profile of chemical potentials of the adsorbed water, equivalent adsorption and/or capillary pressures, and equivalent capillary radius. The suggested theories were proved through its application for the prediction of temperature rise of sulfuric acid due to hydration heat. Adsorption heat calculated on the basis of the potential difference was dependant on various factors, such as surface area, equilibrium constants in Langumuir, BET, etc.

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Bayesian Multiple Change-Point for Small Data (소량자료를 위한 베이지안 다중 변환점 모형)

  • Cheon, Soo-Young;Yu, Wenxing
    • Communications for Statistical Applications and Methods
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    • v.19 no.2
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    • pp.237-246
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    • 2012
  • Bayesian methods have been recently used to identify multiple change-points. However, the studies for small data are limited. This paper suggests the Bayesian noncentral t distribution change-point model for small data, and applies the Metropolis-Hastings-within-Gibbs Sampling algorithm to the proposed model. Numerical results of simulation and real data show the performance of the new model in terms of the quality of the resulting estimation of the numbers and positions of change-points for small data.

Determination of the Frumkin and Temkin Adsorption Isotherms of Underpotentially Deposited Hydrogen at Pt Group Metal Interfaces Using the Standard Gibbs Energy of Adsorption and Correlation Constants

  • Chun, Jinyoung;Jeon, Sang K.;Chun, Jang H.
    • Journal of the Korean Electrochemical Society
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    • v.16 no.4
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    • pp.211-216
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    • 2013
  • At Pt(111), Pt(100), Pt, and Rh interfaces, the Frumkin adsorption isotherm of underpotentially deposited hydrogen (UPD H) and related electrode kinetic data are determined using the standard Gibbs energy of adsorption. The Temkin adsorption isotherm of UPD H correlating with the Frumkin adsorption isotherm of UPD H is readily determined using the correlation constants between the Temkin and Frumkin or Langmuir adsorption isotherms. At the Pt(111), Pt(100), Pt, and Rh interfaces, the lateral repulsive interaction between the UPD H species is interpreted using the interaction parameter for the Frumkin adsorption isotherm. The lateral repulsive interaction between the UPD H species at the Pt(111), Pt(100), Pt, and Rh interfaces is significantly different from the lateral attractive interaction between the overpotentially deposited hydrogen (OPD H) species at Pt, Ir, and Pt-Ir alloy interfaces.

THE PREDICTION OF pH BY GIBBS FREE ENERGY MINIMIZATION IN THE SUMP SOLUTION UNDER LOCA CONDITION OF PWR

  • Yoon, Hyoungju
    • Nuclear Engineering and Technology
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    • v.45 no.1
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    • pp.107-114
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    • 2013
  • It is required that the pH of the sump solution should be above 7.0 to retain iodine in a liquid phase and be within the material compatibility constraints under LOCA condition of PWR. The pH of the sump solution can be determined by conventional chemical equilibrium constants or by the minimization of Gibbs free energy. The latter method developed as a computer code called SOLGASMIX-PV is more convenient than the former since various chemical components can be easily treated under LOCA conditions. In this study, SOLGASMIX-PV code was modified to accommodate the acidic and basic materials produced by radiolysis reactions and to calculate the pH of the sump solution. When the computed pH was compared with measured by the ORNL experiment to verify the reliability of the modified code, the error between two values was within 0.3 pH. Finally, two cases of calculation were performed for the SKN 3&4 and UCN 1&2. As results, pH of the sump solution for the SKN 3&4 was between 7.02 and 7.45, and for the UCN 1&2 plant between 8.07 and 9.41. Furthermore, it was found that the radiolysis reactions have insignificant effects on pH because the relative concentrations of HCl, $HNO_3$, and Cs are very low.

Conditional Moment-based Classification of Patterns Using Spatial Information Based on Gibbs Random Fields (깁스확률장의 공간정보를 갖는 조건부 모멘트에 의한 패턴분류)

  • Kim, Ju-Sung;Yoon, Myoung-Young
    • The Transactions of the Korea Information Processing Society
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    • v.3 no.6
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    • pp.1636-1645
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    • 1996
  • In this paper we proposed a new scheme for conditional two dimensional (2-D)moment-based classification of patterns on the basis of Gibbs random fields which are will suited for representing spatial continuity that is the characteristic of the most images. This implementation contains two parts: feature extraction and pattern classification. First of all, we extract feature vector which consists of conditional 2-D moments on the basis of estimated Gibbs parameter. Note that the extracted feature vectors are invariant under translation, rotation, size of patterns the corresponding template pattern. In order to evaluate the performance of the proposed scheme, classification experiments with training document sets of characters have been carried out on 486 66Mhz PC. Experiments reveal that the proposed scheme has high classification rate over 94%.

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A Study on Real-time Data Acquisition System and Denoising for Energy Saving Device (에너지 절약 장치용 실시간 데이터 획득 시스템 구현과 잡음제거에 관한 연구)

  • Huh, Keol;Choi, Yong-Kil;Jeong, Won-Kyo;Hoang, Chan-Ku
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2004.05b
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    • pp.47-53
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    • 2004
  • The paper shows that the combination of the hardware, NI PCI 6110E board and the software, Fourier and continuous wavelet transform(CWT) can be used to implement for extracting the important features of the real-time signal. The results confirmed that CWT produces the fast computation enough for the application of the real-time signal processing except the negligible time delay. In denoising case, because of the lack of translation invariance of wavelet basis, traditional wavelet thresholding leads to pseudo-Gibbs phenomena in the vicinity of discontinuities of signal. In this paper, in order to reduce the pseudo-Gibbs phenomena, wavelet coefficients are threshold and reconstruction algorithm is implement through shift-invariant gibbs free denoising algorithm based on wavelet transform footprint. The proposed algorithm can potentially be extended to more general signals like piecewise smooth signals and represents an effective solution to problems like signal denoising.

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Synthesis and Exchange Properties of Sulfonated Poly(phenylene sulfide) with Alkali Metal Ions in Organic Solvents

  • Son, Won Geun;Kim, Sang Heon;Park, Su Gil
    • Bulletin of the Korean Chemical Society
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    • v.22 no.1
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    • pp.53-58
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    • 2001
  • Sulfonated poly(phenylene sulfide) (SPPS) polymers were prepared by sulfonation of poly[methyl[4-(phenylthio) phenyl]sulfonium trifluoromethanesulfonate] (PPST) with fumic sulfonic acid (10% $SO_3-H_2SO_4$) and demethylation with aqueous NaOH solution. The equilibrium constants of ion exchange reactions between alkali metal cations ($Li^+,\;Na^+,\;and\;K^+$) and SPPS ion exchanger in organic solvents such as tetrahydrofuran (THF) and dioxane were measured. The equilibrium constants of ion exchange reactions increased as the polarity of the solvent increased, and the reaction temperature decreased. The equilibrium constants of the ion exchange reaction ($K_{eq}$) also increased in the order of $Li^+,\;Na^+,\;and\;K^+$. To elucidate the spontaneity of the exchange reaction in organic solvents, the enthalpy, entropy, and Gibbs free energy were calculated. The enthalpy of reaction ranged from -0.88 to -1.33 kcal/mol, entropy ranged from 1.42 to 4.41 cal/Kmol, and Gibbs free energy ranged from -1.03 to -2.55 kcal/mol. Therefore, the exchange reactions were spontaneous because the Gibbs free energies were negative. The SPPS ion exchanger and alkali metal ion bounding each other produced good ion exchange capability in organic solvents.

A novel Metropolis-within-Gibbs sampler for Bayesian model updating using modal data based on dynamic reduction

  • Ayan Das;Raj Purohit Kiran;Sahil Bansal
    • Structural Engineering and Mechanics
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    • v.87 no.1
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    • pp.1-18
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    • 2023
  • The paper presents a Bayesian Finite element (FE) model updating methodology by utilizing modal data. The dynamic condensation technique is adopted in this work to reduce the full system model to a smaller model version such that the degrees of freedom (DOFs) in the reduced model correspond to the observed DOFs, which facilitates the model updating procedure without any mode-matching. The present work considers both the MPV and the covariance matrix of the modal parameters as the modal data. Besides, the modal data identified from multiple setups is considered for the model updating procedure, keeping in view of the realistic scenario of inability of limited number of sensors to measure the response of all the interested DOFs of a large structure. A relationship is established between the modal data and structural parameters based on the eigensystem equation through the introduction of additional uncertain parameters in the form of modal frequencies and partial mode shapes. A novel sampling strategy known as the Metropolis-within-Gibbs (MWG) sampler is proposed to sample from the posterior Probability Density Function (PDF). The effectiveness of the proposed approach is demonstrated by considering both simulated and experimental examples.

Bayesian Analysis for Categorical Data with Missing Traits Under a Multivariate Threshold Animal Model (다형질 Threshold 개체모형에서 Missing 기록을 포함한 이산형 자료에 대한 Bayesian 분석)

  • Lee, Deuk-Hwan
    • Journal of Animal Science and Technology
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    • v.44 no.2
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    • pp.151-164
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    • 2002
  • Genetic variance and covariance components of the linear traits and the ordered categorical traits, that are usually observed as dichotomous or polychotomous outcomes, were simultaneously estimated in a multivariate threshold animal model with concepts of arbitrary underlying liability scales with Bayesian inference via Gibbs sampling algorithms. A multivariate threshold animal model in this study can be allowed in any combination of missing traits with assuming correlation among the traits considered. Gibbs sampling algorithms as a hierarchical Bayesian inference were used to get reliable point estimates to which marginal posterior means of parameters were assumed. Main point of this study is that the underlying values for the observations on the categorical traits sampled at previous round of iteration and the observations on the continuous traits can be considered to sample the underlying values for categorical data and continuous data with missing at current cycle (see appendix). This study also showed that the underlying variables for missing categorical data should be generated with taking into account for the correlated traits to satisfy the fully conditional posterior distributions of parameters although some of papers (Wang et al., 1997; VanTassell et al., 1998) presented that only the residual effects of missing traits were generated in same situation. In present study, Gibbs samplers for making the fully Bayesian inferences for unknown parameters of interests are played rolls with methodologies to enable the any combinations of the linear and categorical traits with missing observations. Moreover, two kinds of constraints to guarantee identifiability for the arbitrary underlying variables are shown with keeping the fully conditional posterior distributions of those parameters. Numerical example for a threshold animal model included the maternal and permanent environmental effects on a multiple ordered categorical trait as calving ease, a binary trait as non-return rate, and the other normally distributed trait, birth weight, is provided with simulation study.

Estimation of Genetic Parameters for Carcass Traits in Hanwoo Steer (거세한우의 도체형질에 대한 유전모수 추정)

  • Yoon, H.B.;Kim, S.D.;Na, S.H.;Chang, U.M.;Lee, H.K.;Jeon, G.J.;Lee, D.H.
    • Journal of Animal Science and Technology
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    • v.44 no.4
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    • pp.383-390
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    • 2002
  • The data were consisted of 1,262 records for carcass traits observed at Hanwoo steers from 1998 to 2001 at Namwon and Deakwanryung branch of National Livestock Research Institute, Rural Development Administration. Pedigrees of young bulls were traced back to search for magnifying inbreeding. Genetic parameters for carcass traits with Gibbs sampling in a threshold animal model were compared to estimates with REML algorithm in linear model. As the results, most of bulls were not inbred and sire pedigree group was non-inbred population. However, most of the bulls fell in some relationship with each other. Heritability estimates as fully posterior means by Gibbs samplers in threshold model were higher than those by REML in linear model. Furthermore, these estimates in threshold model using GS showed higher estimates than estimates using tested young bulls in previous study and same model. Heritability estimate by GS for marbling score was 0.74 and genetic correlation estimate between marbling score and body weight at slaughter was –0.44. Further study for correlation of breeding values between REML algorithm in linear model and Gibbs sampling algorithm in threshold model was needed.