کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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5372894 | 1504191 | 2016 | 8 صفحه PDF | دانلود رایگان |
In the present research, molecular dynamic (MD) simulations are utilized in order to examine the water transport properties through hourglass-shaped pore structures with various lengths. The length elongates in a range of 100-200Â Ã , while the size of the narrowest diameter remains constant at 3Â Ã . The results show that the defect effect can be substantially diminished as the length increases, so that the fluctuations of the energy barrier reaches zero inside 200Â Ã pore structure, which is an indication of rapid increase of water transport rate. The flux increases with length, suggesting a reduction in hydrodynamic resistance, that water molecules are able to easily enter the pore. The axial diffusivity and permeability are increased once the length increments, which indicate a fast water transport. It is concluded that the thermal fluctuations of water molecules inside reservoir affect the motion of water molecules inside the pore as length decreases.
Journal: Chemical Physics - Volume 477, 30 September 2016, Pages 24-31