Free energy of adsorption of water and calcium on the {10(1)over-bar-4} calcite surface

被引：64

作者：

Kerisit, S ^{[1
]}

Parker, SC ^{[1
]}

机构：

[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England

来源：

CHEMICAL COMMUNICATIONS | 2004年 / 01期

基金：

英国自然环境研究理事会;

关键词：

D O I：

10.1039/b311928a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics simulations of the calcite-water interface have shown that the free energy of adsorption of water is relatively small compared to the previously calculated enthalpy of adsorption implying a large entropy change and that the free energy profile of a calcium adsorbing on the surface correlates with the solvent density; these calculations allow us to begin to address the rates of adsorption and desorption which are essential for studying growth and dissolution.

引用

页码：52 / 53

页数：2

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