• 제목/요약/키워드: electrolyte solution theory

검색결과 16건 처리시간 0.023초

Modeling of ion diffusion coefficient in saturated concrete

  • Zuo, Xiao-Bao;Sun, Wei;Yu, Cheng;Wan, Xu-Rong
    • Computers and Concrete
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    • 제7권5호
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    • pp.421-435
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    • 2010
  • This paper utilizes the modified Davis model and the mode coupling theory, as parts of the electrolyte solution theory, to investigate the diffusivity of the ion in concrete. Firstly, a computational model of the ion diffusion coefficient, which is associated with ion species, pore solution concentration, concrete mix parameters including water-cement ratio and cement volume fraction, and microstructure parameters such as the porosity and tortuosity, is proposed in the saturated concrete. Secondly, the experiments, on which the chloride diffusion coefficient is measured by the rapid chloride penetration test, have been carried out to investigate the validity of the proposed model. The results indicate that the chloride diffusion coefficient obtained by the proposed model is in agreement with the experimental result. Finally, numerical simulation has been completed to investigate the effects of the porosity, tortuosity, water-cement ratio, cement volume fraction and ion concentration in the pore solution on the ion diffusion coefficients. The results show that the ion diffusion coefficient in concrete increases with the porosity, water-cement ratio and cement volume fraction, while we see a decrease with the increasing of tortuosity. Meanwhile, the ion concentration produces more obvious effects on the diffusivity itself, but has almost no effects on the other ions.

Diffusion Coefficients and Membrane Potential within Carrier Membrane by Reverse Transport System

  • Yang, Wong-Kang;Jeong, Sung-Hyun;Lee, Won-Chul
    • Korean Membrane Journal
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    • 제4권1호
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    • pp.36-40
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    • 2002
  • The diffusion coefficients of ions in the reverse transport system using the carrier mediated membrane were estimated from the diffusional membrane permeabilities and the ion activity in membrane system. In the aqueous alkali metal ions-membrane system diffusional flux of alkali metal ions driven by coupled proton was analyzed. The aqueous phase I contained NaOH solution and the aqueous phase II also contained NaCl and HCl mixed solution. The concentration of Na ions of both phases were $10^{0},\;10^{-1},\;10^{-2},\;5{\times}10^{-1}\;and\;5{\times}10^{-2}\;mol{\cdot}dm^{-3}$ and the concentration of HCI in aqueous phase II was always kept at $1{\times}10^{-1}\;mol{\cdot}dm^{-3}$. Moreover, the carrier concentration in liquid membrane was $10^{-2}\;mol{\cdot}dm^{-3}$. The results indicated that the diffusion coefficients depend strongly on the concentration of both phases electrolyte solution equilibriated with the membrane. The points were interpreted in terms of the energy barrier theory. Furthermore, eliminating the potential terms from the membrane equation was derived.

진한 전해질 용액 중에서 염의 수화수와 활성도 계수에 관한 이론적 연구 (Theoretical Calculation of Hydration Number and Activity Coefficients of Salts in Concentrated Electrolyte Solutions)

  • 성용길;전무식
    • 대한화학회지
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    • 제14권2호
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    • pp.185-192
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    • 1970
  • The extension of the theory of the electrolyte solution to the calculation of the hydration number and the mean activity coefficient of some 1:1 electrolytes in the concentrated solutions has been made. In this derivation, the hydration number has been calculated from the equation of the dielectric constant proposed by Hobbs, Jhon, and Eyring, and the mean activity coefficient from the theoretical formula developed by Jhon and Eyring. The agreement between theory and experiment over a.wide concentration range is quite satisfactory.

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A Density Functional Theory Study of Additives in Electrolytes of a Dye Sensitized Solar Cell

  • Lee, Maeng-Eun;Kang, Moon-Sung;Cho, Kwang-Hwi
    • Bulletin of the Korean Chemical Society
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    • 제34권8호
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    • pp.2491-2494
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    • 2013
  • The effect of additives in an electrolyte solution on the conversion efficiency of a dye sensitized solar cell was investigated. A density functional theory (DFT) method was used to examine the physical and chemical properties of nitrogen-containing additives adsorbed on a $TiO_2$ surface. Our results show that additives which cause lower partial charges, higher Fermi level shifts, and greater adsorption energies tend to improve the performance of DSSCs. Steric effects that prevent energy losses due to electron recombination were also found to have a positive effect on the conversion efficiency. In this work, 3-amino-5-methylthio-1H-1,2,4-triazole (AMT) has been suggested as a better additive than the most popular additive, TBP, and verified with experiments.

Surface Chemical Aspects of Coagulation, Deposition, and Filtration Processes: Variation of Electrokinetic Potential at Metal Oxide-Water and Organic-Water Interfaces in the $Na^+$ and $Ca^{2+}$ Ion Solutions

  • Kim, Sung-Jae
    • Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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    • 제4권3호
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    • pp.173-183
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    • 2000
  • This study measured the zeta potential of both latex colloidal particles with carboxylate surface groups and glass beads (collectors) with silanol surface group employing various solution with different chemical characteristics. The results have been compared with the surface chemistry theory. The zeta potential of the particle and collector increased with increasing pH up to 5.0 regardless of the solution chemistry. For a monovalent electrolyte solution(sodium chloride solution) the zeta potential steadily increased until the pH reached 9.5. In contrast, little change in zeta potential was made between 5.0 and 9.5 for a divalent electrolyte solution (sodium chloride solution) the zeta potential steadily increased until the pH reached 9.5. In contrast, little change in zeta potential was made between 5.0 and 9.5 for a divalent electrolyte solution (calcium chloride solution). In other words, the more the pH decreases, the larger the effect of neutral salts, such as NaCl and CaCl$_2$, have on the ζ-potential values. In this study, the PZPC(point of zero proton condition) of the particle and collector occurred below a pH of 3.1, H(sup)+ and OH(sup)- acted as a PDI (potential determining ion), and Na(sup)+ acted as an IDI(indifferent ion). The magnitude of the negative ζ-potential values of the particle and collector monotonically increased as the concentrations of Na(sup)+ or Ca(sup)2+([Na(sup)+] or [Ca(sup)2+]) decreased (the values of pNa or pCa increased). In the case of latex particles, the ζ-potential should aproach zero (isoelectric point; IEP) asymptotically as the pNa approaches zero, while in the case of calcium chloride electrolyte, ζ-potential reversal may be expected to occur around 3.16$\times$10(sup)-2MCaCl$_2$(pCa=1.5). pH, valance and ionic strength can be used in various ways to improve the water treatment efficiency by modifying the charge characteristics of the particle and collector. Predictive capability is far less certain when EDL(electrical double layer) repulsive forces exist between the particle and collector.

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On the Hydration Numbers and Activity Coefficients of Some Salts Present in Sea Water

  • Sung, Yong Kil;Jhon, Mu Shik
    • 한국해양학회지
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    • 제5권1호
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    • pp.1-5
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    • 1970
  • The hydration numbers of some salts present in sea water have been calculated by a simple model for the equation of the dielectric constant, and the mean activity coefficients from the theoretical formula proposed by Jhon and Eyring. The validity of the theory for the electrolyte solution is tested by evaluating the hydration numbers and the mean activity coefficients of some 1:1, 1:2, 2:1 and 1:3 electrolytes in sea water. The results show good agreement with the observations.

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니켈산화물 박막의 전기적착색특성 (The electrochromic properties of nickel oxide films)

  • 이길동
    • 한국진공학회지
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    • 제8권2호
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    • pp.127-135
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    • 1999
  • Nickel oxide films were prepard by using the electron beam evaporation technique. Coloring and bleaching experiments for cyclic durability were repeated in KOH electrolyte by cyclic voltammetry. Visible spectrophtometry was used to assess the stability of the transmittance in the degraded films. X-ray photoelectron spectroscopy results showed that the grain surface are oxygen-rich compared to the grain interiors in a NiO film. Open circuit memory of colored films is about 400hours in lN KOH. The rate of self discharge was evaluated by measuring the transmittance at 550nm of a fully oxidized NiO film. The rate of self discharge was increased polynomially with time and the film is nearly bleached after about 400hours. It was also found that the degraded film by repeated cycles in the KOH solution changed the grain shape of film surface The film prepared under a vacuum pressure of $3\times10^{-4}$ mbar was found to be rather stable when subjected to the repeated coloring and bleaching cycles in KOH electrolyte. Band theory applied to explain the electrochromic mechanism was discussed.

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Numerical simulation of electrokinetic dissipation caused by elastic waves in reservoir rocks

  • Zhang, Xiaoqian;Wang, Qifei;Li, Chengwu;Sun, Xiaoqi;Yan, Zheng;Nie, Yao
    • Geomechanics and Engineering
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    • 제19권1호
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    • pp.11-20
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    • 2019
  • The use of electrokinetic dissipation method to study the fluid flow law in micro-pores is of great significance to reservoir rock microfluidics. In this paper, the micro-capillary theory was combined with the coupling model of the seepage field and the current field under the excitation of the harmonic signal, and the coupling theory of the electrokinetic effect under the first-order approximation condition was derived. The dissipation equation of electrokinetic dissipation and viscous resistance dissipation and its solution were established by using Green's function method. The physical and mathematical models for the electrokinetic dissipation of reservoir rocks were constructed. The microscopic mechanism of the electrokinetic dissipation of reservoir rock were theoretically clarified. The influencing factors of the electrokinetic dissipation frequency of the reservoir rock were analyzed quantitatively. The results show that the electrokinetic effect transforms the fluid flow profile in the pores of the reservoir from parabolic to wavy; under low-frequency conditions, the apparent viscosity coefficient is greater that one and is basically unchanged. The apparent viscosity coefficient gradually approaches 1 as the frequency increases further. The viscous resistance dissipation is two orders of magnitude higher than the electrokinetic effect dissipation. When the concentration of the electrolyte exceeds 0.1mol/L, the electrokinetic dissipation can be neglected, while for the electrolyte solution (<$10^{-2}M$) in low concentration, the electrokinetic dissipation is very significant and cannot be ignored.

유전체 이완 분광법의 원리 및 이를 이용한 전해액 미시구조 연구 (Basic theory of Dielectric Relaxation Spectroscopy and Studies of Electrolyte Structure)

  • 구본협;황순욱;이호춘
    • 전기화학회지
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    • 제22권2호
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    • pp.53-59
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    • 2019
  • 전해질의 미시 구조분석을 위해서는 이온-이온 및 이온-용매 상호작용을 이해하는 것이 매우 중요하다. 이 총설은 유전체 이완 분광법(Dielectric relaxation spectroscopy)의 기본 원리와, 이를 이용한 전해질 구조 연구 사례를 소개하고자 한다. 유전체 이완 분광법은 임피던스법의 일종으로서, 수십 GHz 수준의 높은 주파수 영역에 걸쳐 전해질의 유전 특성을 측정한다. 이를 통해, 유전체 이완 분광법은 전해질 내 존재하는 다양한 극성 화학 종, 즉, 쌍극자 모멘트(Dipole moment)를 갖는 자유 용매(Free solvent) 및 이온쌍(Ion pair)의 종류와 농도에 대한 정보를 제공한다. 유전체 이완 분광법이 제공하는 정보는 기존 분석 기법(적외선 분광법(Infrared), 라만 분광법(Raman) 및 핵자기 공명 분광법(Nuclear magnetic resonance) 등)이 제공하는 정보들과 상호보완적 관계에 있으며, 이러한 종합적 분석을 통해 전해질 구조에 관한 깊은 이해가 가능하다.

Polyester직물에의 Hematite입자의 부착과 제거에 관한 계면전기적 고찰(제1보) -기질과 입자간의 상호작용에너지- (Interfacial Electrical Studies on Adhesion of Hematite Particle to Polyester Fabric and its Removal from the Fabric(Part I) -The interaction energy between particle and fabric-)

  • 강인숙;김성련
    • 한국의류학회지
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    • 제17권3호
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    • pp.380-390
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    • 1993
  • Effect of interfacial electrical conditions on adhesion of ${\alpha}-Fe_2O_3$ particles to PET fabric and the removal of ${\alpha}-Fe_2O_3$ particles from PET fabric, were investigated as functions of pH, electrolyte and ionic strength. The ${\zeta}$ potential of PET fiber and ${\alpha}-Fe_2O_3$ particles in the electrolyte solution were measured by streaming potential and microelectrophoresis methods respectively. The potential energy of interaction between ${\alpha}-Fe_2O_3$ particles and PET fabric were calculated by using the heterocoagulation theory for a sphere-plate model. The negative ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber increased with pH, and then decreased certain pH and isoelectric points of ${\alpha}-Fe_2O_3$ particles and PET fiber were pH 6.5 and pH 3.5, respectively. The negative ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber affected by electrolytes, were relatively high with polyanion electrolytes in solutions and were low with neutral salts. However, at surfactant solution, ${\zeta}$ potential was levelled off. The influence of the ionic strength on the ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle was small but the negative ${\zeta}$ potential of PET fiber increased with the ionic strength. In the presence of anionic surfactant, the ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber increased regardless of solution conditions. The interaction energy between ${\alpha}-Fe_2O_3$ particle and PET fabric increased with pH. The interaction energy was relatively high with polyanion electrolytes in solution, and the influence of ionic strength on the interaction energy was small, and the effective thickness of electrical double layer increased with decreasing the ionic strength.

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