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- W2183693234 abstract "Molecular Dynamics simulations were carried out using GROMACS to study the temperature and diameter dependency of water transport through carbon nanotubes in equilibrium state and non- equilibrium state simulations. In equilibrium state simulations, the water flow has shown a linear dependency on the temperature for nanotubes. The carbon nanotube of diameter 8.1 A may be considered as critical diameter value below which the water flow through the nanotube did not indicate a clear relationship with temperature. In non-equilibrium state simulations the nanotubes were considered as biological water channels that transport water under osmotic pressure difference. An artificial osmotic pressure difference was successfully implemented to mimic the physiological behavior of biological water channels. The osmotic permeability and hydraulic permeability have shown approximately linear dependence on the temperature for the given diameter values of nanotubes within the temperature range of 280 K and 360 K." @default.
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- W2183693234 date "2011-01-01" @default.
- W2183693234 modified "2023-09-27" @default.
- W2183693234 title "Study of the Effect of Temperature on Water Permeation Through Carbon Nanotubes Subjected to an Induced Pressure Gradient: A Molecular Dynamics Simulation" @default.
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