The effects of finite size in molecular dynamics simulations of langmuir monolayers

S. Karaborni, J. I. Siepmann

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Molecular dynamics simulations have been used to investigate the effect of system size on the structure of model Langmuir monolayers. Several simulations with 64 molecules were performed in the range 0-185-0-40 nm2 per molecule. In addition, results were obtained for 16 and 256 molecule systems at 0-23, 0-25 and 0-27 nm2 per molecule. The simulations reveal a marked dependence on the number of molecules at 0-27 nm2 per molecule. System size effects play an important role at intermediate densities, mainly due to the competition between the formation of a large tilt angle and the appearance of domains.

Original languageEnglish (US)
Pages (from-to)345-350
Number of pages6
JournalMolecular Physics
Volume83
Issue number2
DOIs
StatePublished - Oct 10 1994

Fingerprint Dive into the research topics of 'The effects of finite size in molecular dynamics simulations of langmuir monolayers'. Together they form a unique fingerprint.

Cite this