Molecular dynamics simulations of a poly(ethylene oxide) surface

• Potentials developed earlier for crystalline and amorphous bulk PEO systems have been used for the MD simulation of a PEO surface model. The surface comprises the outer region of a 122 Angstrom-thick sheet of PEO in which the PEO, -(CH2-CH2-O)(n)- chains

Subject headings

NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)

Keyword

molecular dynamics; simulation; poly(ethylene oxide); surface; COMPUTER-SIMULATION; CHEMISTRY

Inorganic chemistry

Oorganisk kemi

Publication and Content Type

ref (subject category)

art (subject category)