講者：李金龍 教授（國立清華大學計算與建模科學研究所）

時間：10月22日(一) 14:00-15:40

地點：致理大樓 MA620教室

題目：Debye-Hückel Theory of electrolyte solutions for Poisson-Fermi Model.

摘要：Debye-Hückel (DH) Theory is a fundamental tool in chemical thermodynamics that calculates
the activity coefficients of an electrolyte solution and describes how electrolyte solutions behave
differently from ideality. The Debye-Hückel equation is based on the linear Poisson-Boltzmann (PB)
equation that ignores the steric (finite size), correlation, and polarization effects of ions and solvent
molecules such as water. The Poisson-Fermi(PF) theory developed in recent years takes these effects
into account. In this talk, a generalized Debye length is proposed to include the size effects of ions and
water. The generalized activity coefficient also satisfies the original DH limiting law. Numerical results
of this generalized activity coefficient formula are shown to well fit experimental data of ion activities
for eight 1:1 and six 2:1 electrolytes with only three adjustable parameters in comparison with numerous
combinatorial parameters for the extended DH models that are based on the classical DH theory. 

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