• Title/Summary/Keyword: transport coefficients

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Diffusion study for chloride ions and water molecules in C-S-H gel in nano-scale using molecular dynamics: Case study of tobermorite

  • Zehtab, Behnam;Tarighat, Amir
    • Advances in concrete construction
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    • v.4 no.4
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    • pp.305-317
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    • 2016
  • Porous materials such as concrete could be subjected to aggressive ions transport. Durability of cement paste is extremely depended on water and ions penetration into its interior sections. These ions transport could lead different damages depending on reactivity of ions, their concentrations and diffusion coefficients. In this paper, chloride diffusion process in cement hydrates is simulated at atomistic scale using molecular dynamics. Most important phase of cement hydrates is calcium silicate hydrate (C-S-H). Tobermorite, one of the most famous crystal analogues of C-S-H, is used as substrate in the simulation model. To conduct simulation, a nanopore is considered in the middle of simulation cell to place water molecules and aggressive ions. Different chloride salts are considered in models to find out which one is better for calculation of the transport properties. Diffusion coefficients of water molecules and chloride ions are calculated and validated with existing analytical and experimental works. There are relatively good agreements among simulation outputs and experimental results.

The study of ionization coefficients in mixtures of $SF_6$ and Ar ($SF_6$-Ar혼합기체의 전리계수에 관한 연구)

  • Kim, Sang-Nam;Ha, Sung-Chul
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.05e
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    • pp.96-99
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    • 2003
  • In this dissertation the results of the combined experimental and theoretical studies designed to understand and predict the spatial growth and transport coefficients for electrons in $SF_6$ and $SF_6$-Ar mixtures have described. The transport coefficients for electrons in (0.1[%])$SF_6$-Ar, (0.5[%])$SF_6$-Ar, (1.0[%])$SF_6$-Ar, (3.0[%])$SF_6$-Ar and (5.0[%])$SF_6$-Ar mixtures were measured by time-of-flight method, and the electron energy distribution function and the parameters of the velocity and the diffusion were determined by the variation of the collision cross-sections with energy.

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Analysis of electron transport coefficients in Air (Air에서의 전자수송계수 특성파악)

  • Seo, Sang-Hyun;Ha, Sung-Chul;Jun, Byung-Hun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.05c
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    • pp.181-184
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    • 2002
  • The electron transport coefficients in Air is analysed in range of E/N values from 100~1000(Td) by a MCS and BE method. This paper have calculated W, $ND_L$,$ ND_T$, Mean energy mixtures by $N_2+O_2$. The results gained that the values of the electron swarm parameters such as the electron drift velocity, longitudinal and transverse diffusion coefficients.

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A Study of Electron Transport properties in $SF_6+Ar$ Gas ($SF_6+Ar$의 전자수송계수에 관한 연구)

  • Park, Jae-Sae;Kim, Sang-Nam
    • Proceedings of the KIEE Conference
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    • 2001.07e
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    • pp.72-75
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    • 2001
  • In this paper, we describe the results of a combined experimental theoretical study designed to understand and predict the dielectric properties of $SF_6$ and $SF_6+Ar$ mixtures. The electron transport, ionization, and attachment coefficients for pure $SF_6$ and gas mixtures containing $SF_6$ has been analysed over the E/N range $30{\sim}300Td$ by a two term Boltzrnann equation and by a Monte Carlo Simulation using a set of electron cross sections determined by other authors, experimentally the electron swarm parameters for 0.2% and 0.5% $SF_6+Ar$ mixtures were measured by time- of- flight method, The results show that the deduced electron drift velocities, the electron ionization or attachment coefficients, longitudinal and transverse diffusion coefficients and mean energy agree reasonably well with the experimental and theoretical for a rang of E/N values.

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Analysis of electron transport properties in $SF_6+N_2$ mixtures gas used by MCS-BE (MCS-BE에 의한 $SF_6+N_2$ 혼합기체의 전자수송특성 해석)

  • 서상현;하성철
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1999.05a
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    • pp.696-699
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    • 1999
  • The electron transport coefficients in $SF_6+N_2$ gas is analysed in range of E/N values from 100~900(Td) by a Monte Carlo simulation and Boltzmann method, using a set of electron collision cross sections determined by the authors. The result of the Monte Carlo simulation such as electron drift velocity, ionization and electron attachment coefficients, longitudinal and transverse diffusion coefficients in nearly agreement with the respective experimental and theoretical for a range of E/N.

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A Simulation of the ionization coefficients in mixtures of $SF_6$ and Ar (시뮬레이션을 이용한 $SF_6-Ar$의 전리계수)

  • Kim, Sang-Nam
    • Proceedings of the KIEE Conference
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    • 2005.07c
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    • pp.2202-2204
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    • 2005
  • In this dissertation the results of the combined experimental and theoretical studies designed to understand and predict the spatial growth and transport coefficients for electrons in $SF_6$ and $SF_6-Ar$ mixtures have described. The transport coefficients for electrons in (0.1[%]) $SF_6-Ar$, (0.5[%])$SF_6-Ar$,(1.0[%])$SF_6-Ar$,(3.0[%])$SF_6-Ar$ and(5.0[%]) $SF_6-Ar$ mixtures were measured by time-of- flight method, and the electron energy distribution function and the parameters of the velocity and the diffusion were determined by the variation of the collision cross-sections with energy.

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A Simulation of the ionization coefficients in mixtures of $SF_6$ and Ar (시뮬레이션을 이용한 $SF_6$-Ar혼합기체의 전리계수)

  • Kim, Sang-Nam
    • Proceedings of the KIEE Conference
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    • 2007.07a
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    • pp.1494-1495
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    • 2007
  • In this dissertation the results of the combined experimental and theoretical studies designed to understand and predict the spatial growth and transport coefficients for electrons in $SF_6$ and $SF_6$-Ar mixtures have described. The transport coefficients for electrons in (0.1[%])$SF_6$-Ar, (0.5[%])$SF_6$-Ar, (1.0[%])$SF_6$-Ar, (3.0[%])$SF_6$-Ar and (5.0[%])$SF_6$-Ar mixtures were measured by time-of-flight method, and the electron energy distribution function and the parameters of the velocity and the diffusion were determined by the variation of the collision cross-sections with energy.

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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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    • v.4 no.1
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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.

Transport Coefficients Across A Charged Mosaic Membrane III

  • Lee, Jungwoon;Minho Kang;Song, Myung-Kwan;Wongkang Yang;Lee, Jang-Woo
    • Korean Membrane Journal
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    • v.5 no.1
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    • pp.61-67
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    • 2003
  • Various characteristics of ion transport properties of a charged mosaic membrane with a parallel array of positive and negative functional charges were investigated, From the analysis of the volume flux, it was found that the salt flux based on nonequilibrium thermodynamics, preferential salt transport across the charged mosaic membrane. Transport properties of the magnesium sulfate(MgSO$_4$) and sucrose across the charged mosaic membrane were estimated. As a result, metal salts transport depended largely on the charged states and molecular weight otherwise nonelectrolyte solution was rejected under all experimental conditions. On the other hand, the reflection coefficient s indicated the negative value that suggested preferential material transport and was independent of charged mosaic thickness.