Conductivity of molten sodium chloride in an arbitrarily weak dc electric field

被引:24
作者
Delhommelle, J
Cummings, PT
Petravic, J
机构
[1] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA
[2] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia
关键词
D O I
10.1063/1.2035085
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
We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 10(9) V m(-1), i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields. (c) 2005 American Institute of Physics.
引用
收藏
页数:5
相关论文
共 31 条
[1]  
Allen M. P., 2017, Computer Simulation of Liquids, VSecond, DOI [10.1093/oso/9780198803195.001.0001, DOI 10.1093/OSO/9780198803195.001.0001]
[2]   Shear viscosity of a simple fluid over a wide range of strain rates [J].
Borzsák, I ;
Cummings, PT ;
Evans, DJ .
MOLECULAR PHYSICS, 2002, 100 (16) :2735-2738
[3]   TRANSPORT PROPERTIES OF MOLTEN ALKALI-HALIDES [J].
CICCOTTI, G ;
JACUCCI, G ;
MCDONALD, IR .
PHYSICAL REVIEW A, 1976, 13 (01) :426-436
[4]   KINETIC-THEORY OF NON-EQUILIBRIUM FLUIDS [J].
COHEN, EGD .
PHYSICA A, 1983, 118 (1-3) :17-42
[5]   Should "lane formation" occur systematically in driven liquids and colloids? [J].
Delhommelle, J .
PHYSICAL REVIEW E, 2005, 71 (01)
[6]   Simulations of shear-induced melting in two dimensions [J].
Delhommelle, J .
PHYSICAL REVIEW B, 2004, 69 (14) :144117-1
[7]   On the effects of assuming flow profiles in nonequilibrium simulations [J].
Delhommelle, J ;
Petravic, J ;
Evans, DJ .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (21) :11005-11010
[8]   Shear viscosity of molten sodium chloride [J].
Delhommelle, J ;
Petravic, J .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (06) :2783-2791
[9]  
DELHOMMELLE J, UNPUB
[10]  
DROSTHANSEN W, 1992, FUNDAMENTALS MED CEL