MONTE-CARLO SIMULATION OF AMORPHOUS SILICA DEHYDRATION

被引：9

作者：

BRANDA, MM

MONTANI, RA

CASTELLANI, NJ

机构：

[1] UNIV NACL SUR, CONICET, PLAPIQUI, RA-8000 BAHIA BLANCA, ARGENTINA

[2] UNIV NACL SUR, DEPT QUIM & INGN QUIM, RA-8000 BAHIA BLANCA, ARGENTINA

[3] UNIV NACL SUR, DEPT FIS, RA-8000 BAHIA BLANCA, ARGENTINA

来源：

SURFACE SCIENCE | 1995年 / 341卷 / 03期

关键词：

AMORPHOUS SURFACES; MODELS OF SURFACE CHEMICAL REACTIONS; SILICON OXIDES; THERMAL DESORPTION;

D O I：

10.1016/0039-6028(95)00715-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In the present work, a Monte Carlo simulation of the dehydration process of an amorphous silica surface has been performed. Our modelling allowed a complete compositional description of the different hydroxyl species present during the thermal treatment. Simulation results have been compared with temperature programmed desorption, surface nuclear magnetic resonance spectroscopy and surface chemical analysis experimental data.

引用

页码：295 / 303

页数：9

共 23 条

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KISELEV AV, 1965, ZH FIZ KHIM, V39, P236

[12] INFRARED STUDIES OF REACTIONS ON OXIDE SURFACES .5. LEWIS ACID SITES ON DEHYDROXYLATED SILICA [J].