SIMULATIONS OF STRUCTURE AND TRANSPORT IN POLYMER ELECTROLYTES

被引：14

作者：

PAYNE, VA

LONERGAN, MC

FORSYTH, M

RATNER, MA

SHRIVER, DF

DELEEUW, SW

PERRAM, JW

机构：

[1] NORTHWESTERN UNIV,DEPT CHEM,EVANSTON,IL 60208

[2] NORTHWESTERN UNIV,CTR MAT RES,EVANSTON,IL 60208

[3] MONASH UNIV,DEPT MAT ENGN,CLAYTON,VIC 3168,AUSTRALIA

[4] PHYS CHEM LAB,1018 WS AMSTERDAM,NETHERLANDS

[5] ODENSE UNIV,DEPT MATH,DK-5230 ODENSE M,DENMARK

来源：

SOLID STATE IONICS | 1995年 / 81卷 / 3-4期

关键词：

D O I：

10.1016/0167-2738(95)00188-C

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：

Simulations implementing both Monte Carlo (MC) and molecular dynamics (MD) techniques were used to explore various aspects of polymer electrolytes. Evidence is presented to support the conclusion that collective behavior of ions determines much of the behavior of these complex materials. Simple theories attributing ion transport to either single ions or clusters of three ions are inadequate to explain ion transport behavior; in particular, the Nernst-Einstein relation commonly used to discuss polymer electrolytes is almost certainly quantitatively inappropriate for these materials.

引用

页码：171 / 181

页数：11

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