[1]蒋洁,周宾,郝英立.压-电场耦合下纳米尺度水输运的MD模拟[J].东南大学学报(自然科学版),2011,41(4):757-760.[doi:10.3969/j.issn.1001-0505.2011.04.019]
 Jiang Jie,Zhou Bin,Hao Yingli.MD simulation of nanoscale water flow under coupled pressure-electric fields[J].Journal of Southeast University (Natural Science Edition),2011,41(4):757-760.[doi:10.3969/j.issn.1001-0505.2011.04.019]
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压-电场耦合下纳米尺度水输运的MD模拟()
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《东南大学学报(自然科学版)》[ISSN:1001-0505/CN:32-1178/N]

卷:
41
期数:
2011年第4期
页码:
757-760
栏目:
能源与动力工程
出版日期:
2011-07-20

文章信息/Info

Title:
MD simulation of nanoscale water flow under coupled pressure-electric fields
作者:
蒋洁1周宾2郝英立12
(1东南大学能源与环境学院,南京 210096)
(2东南大学空间科学与技术研究院,南京 210096)
Author(s):
Jiang Jie1Zhou Bin2Hao Yingli12
(1 School of Energy and Environment, Southeast University, Nanjing 210096, China)
(2Institute of Space Science and Technology, Southeast University, Nanjing 210096, China)
关键词:
分子动力学模拟多场耦合纳米尺度水流动
Keywords:
molecular dynamic simulation coupled fields nanoscale water flow
分类号:
T124
DOI:
10.3969/j.issn.1001-0505.2011.04.019
摘要:
运用分子动力学方法构建了纳米尺度的输运模型,针对纳米通道内水分子的流动与传热特性,分析了通道内压-电场耦合下水的速度分布、密度分布、自扩散系数和黏度等流动特性,同时也讨论了温度对通道内热导率的影响.模拟结果表明,速度轮廓从单纯电场驱动的电渗流型开始转变,由于压力的影响,速度分布呈抛物线型,速度随温度的升高而增大; 温度的增加使分子有序度降低,水分子的笼状结构被逐渐破坏; 随着温度的升高,热导率总体呈增大趋势; 扩散系数随温度的升高从3.056 2×10-9 m2/s增大到2.483 6×10-8 m2/s; 黏度也从0.131 320 mPa·s增大到0.139 748 mPa·s.
Abstract:
The nanoscale transport system is modeled by molecular dynamics(MD) simulation. The characteristics of water flow under coupled pressure-electric fields in nanochannel are studied with molecular dynamics. The influence of temperature on transport characteristics is also discussed. The nanofluidic properties, such as velocity profile, density, diffusion coefficient, viscosity and thermal conductivity are all obtained on the basis of thermo-physics statistical methods. The results show that, the velocity profile under coupled pressure-electric fields is no longer slug flow, but parabolic flow. The higher temperature causes the lower degree of order in water. With the increasing temperature, the heat transfer coefficient increases, the diffusion coefficient increases from 3. 056 2×10-9 m2/s to 2. 483 6×10-8 m2/s, and the viscosity also increases from 0. 131 320 mPa·s to 0. 139 748 mPa·s.

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备注/Memo

备注/Memo:
作者简介:蒋洁(1981—),女,博士生;周宾(联系人),男,博士,讲师,zhoubinde@seu.edu.cn.
基金项目:国家自然科学基金资助项目(50676020,50906013)、国家重点基础研究发展计划(973计划)资助项目(2006CB300404)、教育部新教师基金资助项目(20090092120064).
引文格式: 蒋洁,周宾,郝英立.压-电场耦合下纳米尺度水输运的MD模拟[J].东南大学学报:自然科学版,2011,41(4):757-760.[doi:10.3969/j.issn.1001-0505.2011.04.019]
更新日期/Last Update: 2011-07-20