Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films

J Mol Model. 2011 Nov;17(11):2725-33. doi: 10.1007/s00894-011-1050-3. Epub 2011 May 6.

Abstract

Parylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results are consistent with a polymer film scaling growth mechanism and contribute to the description of the dynamic growth of the parylene C polymer.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Hydrophobic and Hydrophilic Interactions
  • Molecular Dynamics Simulation*
  • Polymers / chemistry*
  • Xylenes / chemistry*

Substances

  • Polymers
  • Xylenes
  • parylene