Diffusion of water in amorphous polymers at different temperatures using Molecular Dynamics simulation

被引：0

作者：

Dermitzaki, E. D. ^{[1
]}

Bauer, J. ^{[1
]}

Wunderle, B. ^{[1
]}

Michel, B. ^{[1
]}

机构：

[1] Fraunhofer Inst Reliabil & Microintegrat, IZM, Dept Mech Reliabil & Micro Mat, Gustav Meyer Allee 25, D-13355 Berlin, Germany

来源：

ESTC 2006: 1ST ELECTRONICS SYSTEMINTEGRATION TECHNOLOGY CONFERENCE, VOLS 1 AND 2, PROCEEDINGS | 2006年

关键词：

D O I：

暂无

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The present work deals with the self-diffusion coefficient of water molecules in amorphous polymeric materials (aromatic epoxy: 1, 3-Bis-(2,3-epoxypropyl)-berizene and amine hardener: 1, 2-Diaminoethan Both experiments and Molecular Dynamics (AM) simulations examine the temperature range of 300-400K, where diffusion coefficients will be calculated under NVT - thermodynamic boundary conditions by using a classicalforce-field MC). The diffusion- mechanisms are examined as a function of the stoichiometry and molecular weight of the polymers. The influence of numerical artefacts is also discussed.

引用

页码：762 / +

页数：4

共 49 条

[1]

Allen M.P., 2004, COMPUTER SIMULATION

[2]

BELTON DJ, 1989, ACS SYM SER, V407, P286

[3] Diffusion of gases in silicone polymers: Molecular dynamics simulations [J].