【10/19專題演講】國立清華大學計算與建模科學研究所李金龍教授-Activity coefficients of Electrolyte Solutions from Poisson-Fermi Model
講題：Activity coefficients of Electrolyte Solutions from Poisson-Fermi Model
講者：李金龍 (國立清華大學計算與建模科學研究所)
時間：107年10月19日(五)上午10：00-12：00
地點：民生校區五育樓4樓401教室
摘要
In 1923, Debye and Hückel proposed a famous theory to determine the activity coefficient of an ion in an electrolyte solution. These results are based on the linear Poisson- Boltzmann (PB) equation. In order to deal with the influences of the steric (finite size), correlation, and polarization effects of ions and solvent molecules such as water, the Poisson-Fermi (PF) model is developed in recent years that takes these effects into account.
In this talk, a linear fourth-order PF equation is presented to derive a generalized Debye-ückel equation. Moreover, the unique analytical solution of the linear PF equation in spherically symmetric domains is also derived to describe the chemical potential in the spherical domain occupied by the solvated ion, the hydration shell domain of the ion, and the rest of solvent domain. Numerically, the experimental data on the individual activity coefficients of eight 1:1 and six 2:1 electrolytes are fitted with only three adjustable parameters.
講者：李金龍 (國立清華大學計算與建模科學研究所)
時間：107年10月19日(五)上午10：00-12：00
地點：民生校區五育樓4樓401教室
摘要
In 1923, Debye and Hückel proposed a famous theory to determine the activity coefficient of an ion in an electrolyte solution. These results are based on the linear Poisson- Boltzmann (PB) equation. In order to deal with the influences of the steric (finite size), correlation, and polarization effects of ions and solvent molecules such as water, the Poisson-Fermi (PF) model is developed in recent years that takes these effects into account.
In this talk, a linear fourth-order PF equation is presented to derive a generalized Debye-ückel equation. Moreover, the unique analytical solution of the linear PF equation in spherically symmetric domains is also derived to describe the chemical potential in the spherical domain occupied by the solvated ion, the hydration shell domain of the ion, and the rest of solvent domain. Numerically, the experimental data on the individual activity coefficients of eight 1:1 and six 2:1 electrolytes are fitted with only three adjustable parameters.
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