A Study of the Adsorption and Diffusion Behavior of a Single Polydimethylsiloxane Chain on a Silicon Surface by Molecular Dynamics Simulation

Abstract:

The adsorption and diffusion of polydimethylsiloxane (PDMS) with different chain lengths on a silicon (111) surface were studied by molecular dynamics simulations. The relative dielectric constant was selected to be 1 to mimic a vacuum. The chains were all present as two dimensional (2D) adsorption conformation on the surface but different conformations and dynamic properties were found in the two absolutely different environments. The relationship between the adsorption energy of the different chain lengths and the degree of polymerization follows a linear function and the average adsorption energy per segment is -0.42 kcal/mol. In addition, the diffusion coefficient (D) of these chains scales with the degree of polymerization (N) as N_-3/2.

• Periodical: Advanced Materials Research (Volumes 391-392)
• Pages: 998-1002
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.391-392.998
• Online since: December 2011
• Authors: Jian Quan Li, Dan Mu
• Keywords: PDMS, Scaling Law, Silicon Surface, Two Dimensional Adsorption Conformation

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