TY - JOUR
T1 - Thermal effect on the dynamic infiltration of water into single-walled carbon nanotubes
AU - ZHAO, J.
AU - LIU, L.
AU - CULLIGAN, P.J.
AU - CHEN, X.
PY - 2009
Y1 - 2009
N2 - Thermally induced variation in wetting ability in a confined nanoenvironment, indicated by the change in infiltration pressure as water molecules enter a model single-walled carbon nanotube submerged in aqueous environment, is investigated using molecular dynamics simulations. The temperature-dependent infiltration behavior is impacted in part by the thermally excited radial oscillation of the carbon nanotube, and in part by the variations of fundamental physical properties at the molecular level, including the hydrogen bonding interaction. The thermal effect is also closely coupled with the nanotube size effect and loading rate effect. Manipulation of the thermally responsive infiltration properties could facilitate the development of a next-generation thermal energy converter based on nanoporous materials. © 2009 The American Physical Society.
AB - Thermally induced variation in wetting ability in a confined nanoenvironment, indicated by the change in infiltration pressure as water molecules enter a model single-walled carbon nanotube submerged in aqueous environment, is investigated using molecular dynamics simulations. The temperature-dependent infiltration behavior is impacted in part by the thermally excited radial oscillation of the carbon nanotube, and in part by the variations of fundamental physical properties at the molecular level, including the hydrogen bonding interaction. The thermal effect is also closely coupled with the nanotube size effect and loading rate effect. Manipulation of the thermally responsive infiltration properties could facilitate the development of a next-generation thermal energy converter based on nanoporous materials. © 2009 The American Physical Society.
UR - http://www.scopus.com/inward/record.url?scp=73649132295&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.80.061206
DO - 10.1103/PhysRevE.80.061206
M3 - Journal Article (refereed)
SN - 1539-3755
VL - 80
IS - 6
M1 - 61206
ER -