Why Direct or Reversed Hofmeister Series? Interplay of Hydration, Non-electrostatic Potentials, and Ion Size

被引：111

作者：

Parsons, D. F. ^{[1
]}

Bostrom, M. ^{[2
,3
]}

Maceina, T. J. ^{[2
]}

Salis, A. ^{[3
]}

Ninham, B. W. ^{[1
]}

机构：

[1] Australian Natl Univ, Res Sch Phys Sci & Engn, Canberra, ACT 0200, Australia

[2] Linkoping Univ, Dept Phys & Measurement Technol, SE-58183 Linkoping, Sweden

[3] Univ Cagliari, CSGI, Dept Chem Sci, Monserrato, Italy

来源：

LANGMUIR | 2010年 / 26卷 / 05期

基金：

澳大利亚研究理事会; 瑞典研究理事会;

关键词：

CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; DOUBLE-LAYER; VANDERWAALS FORCES; SILICA SURFACES; LIFSHITZ THEORY; ALPHA-ALUMINA; SUSPENSIONS; WATER; ELECTROLYTES;

D O I：

10.1021/la903061h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：3323 / 3328

页数：6

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