Two-dimensional Monte Carlo simulations of ionic and nonionic silane self-assembly on hydrophilic surfaces

Vivek Kapila, A. Marcia Almanza-Workman, Pierre A. Deymier, Srini Raghavan

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

The effect of charged groups on the structure of nonionic and ionic silane films deposited on a hydrophilic surface from aqueous solutions was analyzed using Monte Carlo (MC) simulations in 2D. The impact of charged group in cationic silane on the overall structure of the films was investigated. The film structure with spatial pair correlations at each molecular layer of the deposited films was characterized. An average 'most probable' structure for the films of nonionic and cationic silanes was described based on two-dimensional simulations.

Original languageEnglish (US)
Pages (from-to)9277-9285
Number of pages9
JournalJournal of Chemical Physics
Volume120
Issue number19
DOIs
StatePublished - May 15 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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