| 引用本文: | 王晓琳,韩海波,郭斌.海水浓度的变化对其微观结构和动力学性质的影响[J].哈尔滨工业大学学报,2011,43(11):80.DOI:10.11918/j.issn.0367-6234.2011.11.017 |
| WANG Xiao-lin,HAN Hai-bo,GUO Bin.The effect of seawater concentration on seawater’s microstructure and dynamics[J].Journal of Harbin Institute of Technology,2011,43(11):80.DOI:10.11918/j.issn.0367-6234.2011.11.017 |
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| 摘要: |
| 为了提高新型旋转耦合电磁海水淡化技术的效率,优化旋转电磁发生装置的工作参数和选择合适的电子膜与反渗透膜,采用分子动力学模拟方法详细地研究了海水浓度的变化对其微观结构和动力学性质的影响.结果表明:随着离子浓度的增加,离子间相互作用增强,而离子-水分子、水分子-水分子的相互作用强度均减弱,海水的短程有序性降低;接触离子对和桥接离子对均增加;溶液中氢键网络逐渐模糊,水分子的自扩散系数减小.因此,海水浓度增大不利于海水淡化的进行. |
| 关键词: 旋转耦合电磁理论 海水淡化 微观结构 浓度 分子动力学 |
| DOI：10.11918/j.issn.0367-6234.2011.11.017 |
| 分类号:P747 |
| 基金项目:国家自然科学基金青年科学基金资助项目(NSFC20904007);中国博士后科学基金面上资助项目(20080440862);黑龙江省博士后资助项目(LBH-Z08201) |
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| The effect of seawater concentration on seawater’s microstructure and dynamics |
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WANG Xiao-lin1,2, HAN Hai-bo3, GUO Bin3
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1.Academy of Fundamental and Interdisciplinary Sciences,Harbin Institute of Technology,150080 Harbin,China;2.School of Science,Beijing Institute of Technology,100081 Beijing,China;3.School of Material Science and Engineering,Harbin Institute of Technology,150001 Harbin,China)
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| Abstract: |
| To enhance the efficiency of a new seawater desalination technique based on rotating coupling electromagnetic theory,and to optimize its parameters and to select the proper electronic and reverse osmosis membranes,we investigate the effects of seawater concentration on the seawater’s microstructure and dynamics by molecular dynamics(MD) simulations in details.The results indicate that with the increment of ion concentration,the ion-ion interaction strengthens,while the ion-water and water-water interactions weaken,resulting in reducing seawater short-range order.The number of the contact ion pairs as well as the solvent separated ones increases.The hydrogen bond network is gradually indistinct,and the self-diffusion coefficient of water molecule decreases.Therefore,the increment of ion concentration is disadvantageous to seawater desalination. |
| Key words: rotating coupling electromagnetic theory seawater desalination microstructure concentration molecular dynamics |
