MOLECULAR MODELING OF ADHESION - THE INTERACTION OF ACRYLATE AND METHACRYLATE ESTERS WITH ALUMINUM-OXIDE

被引：16

作者：

HOLUBKA, JW ^{[1
]}

DICKIE, RA ^{[1
]}

CASSATTA, JC ^{[1
]}

机构：

[1] FORD MOTOR CO,RES STAFF,POB 2053,DEARBORN,MI 48121

来源：

JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY | 1992年 / 6卷 / 02期

关键词：

ACID-BASE INTERACTIONS; ACRYLATE ESTERS; ALUMINUM OXIDE; MNDO; MOLECULAR MODELING; ELECTRON-BEAM CURING;

D O I：

10.1163/156856192X00313

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

A theoretical examination of Lewis acid-base interactions of ethyl acrylate and methyl methacrylate with a model aluminum oxide surface has been performed using semi-empirical, MNDO, molecular orbital calculations. Interactions of the carbonyl and carbon-carbon double bonds with aluminum oxide were evaluated. Overall, the structures formed by ethyl acrylate were more stable than those formed by methyl methacrylate. The highest stability was found for ethyl acrylate complexes involving the carbon-carbon double bond. These results tally with experimental studies of the adhesion of electron-beam cured acrylic coatings to aluminum, which suggests indirectly that acrylic unsaturation interacts more strongly with aluminum oxide than does methacrylic unsaturation.

引用

页码：243 / 252

页数：10

共 12 条

[1]

[Anonymous], 1988, SOLIDS SURFACES CHEM

[2] QUANTUM-MECHANICAL APPROACH TO UNDERSTANDING ACID-BASE INTERACTIONS AT METAL POLYMER INTERFACES [J].