Monte Carlo simulation of submonolayer vapor-deposition polymerization

In this paper, we propose a Monte Carlo simulation model for the initial growth of polymer films by considering only monomer surface diffusion in the vapor-deposition polymerization process. In the model, monomers are deposited randomly on a two-dimensional square lattice with periodic boundary cond...

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Veröffentlicht in:Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics Statistical physics, plasmas, fluids, and related interdisciplinary topics, 1999-10, Vol.60 (4 Pt B), p.4310-4318
Hauptverfasser: Zhao, Y P, Hopper, A R, Wang, G C, Lu, T M
Format: Artikel
Sprache:eng
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Zusammenfassung:In this paper, we propose a Monte Carlo simulation model for the initial growth of polymer films by considering only monomer surface diffusion in the vapor-deposition polymerization process. In the model, monomers are deposited randomly on a two-dimensional square lattice with periodic boundary conditions and are allowed to diffuse with nearest neighbor hops. Whenever monomers meet, they stop diffusing and form a stable dimer. When a diffusing or deposited monomer encounters one of the ends of a polymer (L>1), it stops moving and attaches to the polymer. Attachment of monomers or other polymers is allowed only at the two ends of the polymer. We have shown that there are three distinct growth regimes for surface coverages theta
ISSN:1063-651X
1095-3787
DOI:10.1103/PhysRevE.60.4310