کد مقاله کد نشریه سال انتشار مقاله انگلیسی ترجمه فارسی نسخه تمام متن
166366 1423395 2015 6 صفحه PDF سفارش دهید دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics simulation of water transport through graphene-based nanopores: Flow behavior and structure characteristics
ترجمه فارسی عنوان
شبیه سازی دینامیک مولکولی انتقال آب از طریق نانوپورهای مبتنی بر گرافن: رفتار جریان و ویژگی های ساختاری
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موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی

The flow behavior of pressure-driven water infiltration through graphene-based slit nanopores has been studied by molecular simulation. The simulated flow rate is close to the experimental values, which demonstrates the reasonability of simulation results. Water molecules can spontaneously infiltrate into the nanopores, but an external driving force is generally required to pass through the whole pores. The exit of nanopore has a large obstruction on the water effusion. The flow velocity within the graphene nanochannels does not display monotonous dependence upon the pore width, indicating that the flow is related to the microscopic structures of water confined in the nanopores. Extensive structures of confined water are characterized in order to understand the flow behavior. This simulation improves the understanding of graphene-based nanofluidics, which helps in developing a new type of membrane separation technique.

Flow behavior of pressure-driven water through graphene-based subnanometer nanochannels is simulated, along with the microscopic structures of water confined in the graphene nanopores. The flow behavior can be related to the microscopic structures of confined water.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Journal of Chemical Engineering - Volume 23, Issue 10, October 2015, Pages 1587–1592
نویسندگان
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