Molecular dynamics simulations of phase transitions in argon-filled single-walled carbon nanotube bundles under high pressure

A molecular dynamics simulation of metha

A molecular dynamics simulation of methane adsorption in single walled carbon nanotube bundles

✍ Sergi Vela; Fermín Huarte-Larrañaga 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 959 KB

The physisorption of methane in idealized bundles of single walled carbon nanotubes (SWCNT) is investigated in detail in this work employing computational. Several aspects related to the possible application of nanotubes as fuel gas containers are analyzed employing molecular dynamics simulations. T