Computational studies of layered silicates

被引：4

作者：

Coombes, DS

Catlow, CRA

Garcés, JM

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England

[2] Dow Chem Co USA, Corp R&D, Midland, MI 48674 USA

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2003年 / 11卷 / 03期

关键词：

D O I：

10.1088/0965-0393/11/3/303

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report the calculations of the structure and energetics of the layered silicate Na+ saponite. We have used computational modelling techniques together with atomistic potential parameters to probe the effects of altering the layer charge on the energetics of separation, a problem which is of growing technological importance.

引用

页码：301 / 306

页数：6

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