Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces

by: Hai-Ping Fang, Jun Hu

Nuclear Science and Techniques, Vol. 17, No. 2. (April 2006), pp. 71-77.

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Abstract

Molecular dynamics simulations have been used to study two topics of water molecules on hydrophobic surfaces. Some properties of the nanobubbles with different ingredients and behavior of single water chains in single-walled carbon nanochannels are exploited. Molecular simulations show that the density of the N2 and H2 are quite high, which is critical for the stability of the nanobubbles and may have potential applications, such as hydrogen storage, incorporated with recent experimental method to controllably produce hydrogen nanobubbles. The water molecules inside the nanochannel show an unexpected directed motion with long time period, which is indispensable in the future study of the dynamics of biological channels.

@article{citeulike:2758751, abstract = {Molecular dynamics simulations have been used to study two topics of water molecules on hydrophobic surfaces. Some properties of the nanobubbles with different ingredients and behavior of single water chains in single-walled carbon nanochannels are exploited. Molecular simulations show that the density of the N2 and H2 are quite high, which is critical for the stability of the nanobubbles and may have potential applications, such as hydrogen storage, incorporated with recent experimental method to controllably produce hydrogen nanobubbles. The water molecules inside the nanochannel show an unexpected directed motion with long time period, which is indispensable in the future study of the dynamics of biological channels.}, author = {Fang, Hai-Ping and Hu, Jun }, citeulike-article-id = {2758751}, doi = {10.1016/S1001-8042(06)60015-8}, journal = {Nuclear Science and Techniques}, keywords = {bubbles}, month = {April}, number = {2}, pages = {71--77}, posted-at = {2008-05-05 19:32:48}, priority = {2}, title = {Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces}, url = {http://dx.doi.org/10.1016/S1001-8042(06)60015-8}, volume = {17}, year = {2006} }

RIS record

TY - JOUR ID - citeulike:2758751 L3 - citeulike-article-id:2758751 TI - Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces JF - Nuclear Science and Techniques VL - 17 IS - 2 SP - 71 EP - 77 N2 - Molecular dynamics simulations have been used to study two topics of water molecules on hydrophobic surfaces. Some properties of the nanobubbles with different ingredients and behavior of single water chains in single-walled carbon nanochannels are exploited. Molecular simulations show that the density of the N2 and H2 are quite high, which is critical for the stability of the nanobubbles and may have potential applications, such as hydrogen storage, incorporated with recent experimental method to controllably produce hydrogen nanobubbles. The water molecules inside the nanochannel show an unexpected directed motion with long time period, which is indispensable in the future study of the dynamics of biological channels. KW - bubbles AU - Fang, Hai-Ping AU - Hu, Jun PY - 2006/04// UR - http://dx.doi.org/10.1016/S1001-8042(06)60015-8 ER -

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