Research School of Physical Sciences and Engineering, Australian National University, Canberra, ACT 0200, Australia.
Langmuir. 2010 Mar 2;26(5):3323-8. doi: 10.1021/la903061h.
A modified Poisson-Boltzmann analysis is made of the double layer interaction between two silica surfaces and two alumina surfaces in chloride electrolyte. The analysis incorporates nonelectrostatic ion-surface dispersion interactions based on ab initio ionic excess polarizabilities with finite ion sizes. A hydration model for the tightly held hydration shell of kosmotropic ions is introduced. A direct Hofmeister series (K > Na > Li) is found at the silica surface while the reversed series (Li > Na > K) is found at alumina, bringing theory in line with experiment for the first time. Calculations with unhydrated ions also suggest that surface-induced dehydration may be occurring at the alumina surface.
对在氯化物电解液中两个二氧化硅表面和两个氧化铝表面之间的双层相互作用进行了修正的泊松-玻尔兹曼分析。该分析纳入了基于有限离子大小的从头算离子超额极化率的非静电离子-表面色散相互作用。引入了一种紧密结合的反离子水化壳的水化模型。在二氧化硅表面上发现了直接的霍夫迈斯特序列（K > Na > Li），而在氧化铝表面上发现了相反的序列（Li > Na > K），这是理论首次与实验相符。对未水合离子的计算也表明，氧化铝表面可能发生表面诱导脱水。
