Molecular dynamics simulations of acetylene plasma deposition of polymer films

Molecular dynamics simulations are carried out for studying growth and properties of polymers from pure acetylene plasma. Mixture of H, C2H and C2H2 is the initial composition for running the molecular dynamics simulations. Resulting films are characterized by characterizing bond order, [H]/[C] ratio and simulated infrared spectrum. The latter is qualitatively compared with three different experiments: IR peak identification and positions are recovered.