The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions
Molecular dynamics simulations are carried out to determine the effects of channel wall structure on water and ion properties. We compare hydrophobic (Lennard-Jones 5-3 and atomic) and molecular-hydrophilic cylindrical pores of 2-6 Å in effective radius,
|Collections||ANU Research Publications|
|Source:||Journal of Chemical Physics|
|01_Allen_The_effect_of_hydrophobic_and_1999.pdf||917.47 kB||Adobe PDF|
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