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| 压-电场耦合下纳米尺度水输运的MD模拟 | |
| 引用本文： | 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 |
| 作者姓名： | 蒋洁 周宾 郝英立 |
| 作者单位： | 1. 东南大学能源与环境学院,南京,210096 2. 东南大学空间J科学与技术研究院,南京,210096 3. 东南大学能源与环境学院,南京210096;东南大学空间J科学与技术研究院,南京210096 |
| 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) |
| 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... |
| 关 键 词： | 分子动力学模拟 多场耦合 纳米尺度 水流动 |
MD simulation of nanoscale water flow under coupled pressure-electric fields |
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| 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 | |
| Authors: | Jiang Jie Zhou Bin Hao Yingli |
| Affiliation: | Jiang Jie1 Zhou Bin2 Hao Yingli1,2(1 School of Energy and Environment,Southeast University,Nanjing 210096,China)(2Institute of Space Science and Technology,China) |
| 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... |
| Keywords: | molecular dynamic simulation coupled fields nanoscale water flow |
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