首页> 中文期刊> 《哈尔滨工业大学学报》 >海水浓度的变化对其微观结构和动力学性质的影响

海水浓度的变化对其微观结构和动力学性质的影响

         

摘要

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.%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.

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