کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
11000285 | 1423227 | 2018 | 28 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Confinement effect on water transport in CNT membranes
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Fluid transport through membrane has attracted broad interests in recent decades due to their close association with wide industrial applications. Whereas massive experimental and simulation studies have been reported, the molecular mechanisms of fluid transport in nanopores are still poorly understood. Herein, we report a non-equilibrium molecular dynamics (NEMD) simulation study for elaborating the confinement effect of water transport through carbon nanotube (CNT) membranes. By varying the tube flexibility, inner surface wettability and pore size distribution (PSD), the permeability of water flow characterized with the flux enhancement rate is extensively examined. In addition, the pore size effect and pore size distribution are carefully taken into account when evaluating the apparent water flux through CNT membranes. We show that these treatments allow us to predict the water flux in a satisfactory agreement with reported experimental measurements. This work provides a quantitative simulation model toward the rational design of high efficient membranes.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Engineering Science - Volume 192, 31 December 2018, Pages 1252-1259
Journal: Chemical Engineering Science - Volume 192, 31 December 2018, Pages 1252-1259
نویسندگان
Jiabo Tao, Xianyu Song, Teng Zhao, Shuangliang Zhao, Honglai Liu,