Slip length of water on graphene: Limitations of non-equilibrium molecular dynamics simulations

S Kumar Kannam, BD Todd, JS Hansen… - The Journal of chemical …, 2012 - pubs.aip.org
Data for the flow rate of water in carbon nanopores is widely scattered, both in experiments
and simulations. In this work, we aim at precisely quantifying the characteristic large slip
length and flow rate of water flowing in a planar graphene nanochannel. First, we quantify
the slip length using the intrinsic interfacial friction coefficient between water and graphene,
which is found from equilibrium molecular dynamics (EMD) simulations. We then calculate
the flow rate and the slip length from the streaming velocity profiles obtained using non …
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