Atomistic Level Contact Angle Measurements
Wetting of Polymer Surfaces from Molecular Dynamics
Atomistic level simulations of wetting of crystalline polymer surfaces is
conducted using molecular dynamics method at 300 K for various
crystalline polymer surfaces. Contact angles and surface tensions
for each system is measured using two liquids, water and methyl iodide.
Crystalline PET surface and water droplet at 10 ps.
value at this point of simulation is 124.3 degrees.
Crystalline PET surface and water droplet at 150 ps.
value at this point of simulation is 99.8 degrees.
Cun Feng Fan and Tahir Cagin ,
" Wetting of crystalline polymer
surfaces: a molecular dynamics simulation,"
J. Chem. Phys. 103, 9053-9061 (1995).