Premium
Cover Picture: Macromol. Theory Simul. 4∕2015
Author(s) -
Śniechowski Maciej,
Borek Remigiusz,
Piwowarczyk Konrad,
Łużny Wojciech
Publication year - 2015
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201570011
Subject(s) - protonation , polyaniline , cover (algebra) , molecular dynamics , front cover , materials science , polymer chemistry , polymer science , chemical physics , chemistry , computational chemistry , polymer , organic chemistry , composite material , engineering , polymerization , mechanical engineering , ion
Front Cover: A new structural model of polyaniline (PANI) protonated with camphorsulfonic acid (CSA) is obtained via molecular dynamics simulations. The only stable and highly ordered structure of the system is characterized by double layers of PANI separated by double layers of CSA. The most important conclusion is that an identical final result is reached while starting from several quite different initial arrangements. Further details can be found in the article by M. Śniechowski, R. Borek, K. Piwowarczyk, and W. Łużny* on page 284 .