Relationship between structure, entropy, and mobility in network-forming ionic melts

被引：48

作者：

Agarwal, Manish ^{[1
]}

Chakravarty, Charusita ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Chem, New Delhi 110016, India

来源：

PHYSICAL REVIEW E | 2009年 / 79卷 / 03期

关键词：

beryllium compounds; carrier mobility; diffusion; entropy; ionic conductivity; liquid structure; molecular dynamics method; silicon compounds; viscosity; UNIVERSAL SCALING LAW; BERYLLIUM FLUORIDE; EXCESS ENTROPY; LIQUID SILICA; SIMPLE FLUIDS; WATER; SIMULATION; TRANSPORT; ANOMALIES;

D O I：

10.1103/PhysRevE.79.030202

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

Diffusivity, ionic conductivity, and viscosity of network-forming ionic melts are examined using molecular dynamics simulations of BeF2 and SiO2 melts. These tetrahedral, network-forming ionic melts are shown to possess a conductivity anomaly, in addition to waterlike viscosity and diffusivity anomalies, corresponding to a striking breakdown of the Nernst-Einstein relation. The contrasting scaling behavior of the different mobility measures with different structural contributions to the excess entropy is demonstrated.

引用

页数：4

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