Abstract
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.
| Original language | English |
|---|---|
| Article number | 061206 |
| Journal | Physical Review E |
| Volume | 80 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 5 Dec 2009 |
| Externally published | Yes |
Funding
The work is supported by NSF under Grants No. CMMI0643726 (X. C.) and No. CMS-0409521 (P.J.C). L. L acknowledges the support of the Founder's Prize, through the American Academy of Mechanics, sponsored by the Robert M. and Mary Haythornthwaite Foundation. X. C. is also supported by a WCU (World Class University) program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology of Korea (R322008 000 20042 0). X. C. is also supported by the National Natural Science Foundation of China, Grant No. 50928601.