Silica condensation reaction:: an ab initio study

被引：76

作者：

Pereira, JCG

Catlow, CRA

Price, GD

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1X 4BS, England

[2] Univ London Univ Coll, Dept Geol Sci, London WC1E 6BT, England

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 13期

关键词：

D O I：

10.1039/a801816b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio techniques are used to investigate the mechanisms and energetics of condensation of two Si(OH)(4) monomers in a simulated hydrated environment; the calculated activation energies accord well with those measured for silica condensation in sol-gel systems.

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页码：1387 / 1388

页数：2

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