Molecular dynamics simulations on the adsorption of 4-n-octyl-4-cyanobiphenyl (8CB) at the air/water interface
Küçük Resim Yok
Tarih
2018
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Inc
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The influence of surface coverage to the structural properties of 4-n-octyl-4 '-cyanobiphenyl (8CB) monolayer at the air/water interface was studied by full atomistic molecular dynamics simulations. These properties include density profiles, interface thickness, monolayer width, orientational order parameters, and atom-pair radial distribution functions. The calculated tilt angles of the cyanobiphenyl and alkyl parts are in fairly good agreement with the experiments. The simulation results exhibit the general trends in the previous experimental and simulation data. [GRAPHICS] .
Açıklama
Anahtar Kelimeler
8CB, air, water interface, Langmuir monolayers, liquid crystals, molecular dynamics simulation
Kaynak
Journal of Dispersion Science and Technology
WoS Q Değeri
Q4
Scopus Q Değeri
Cilt
39
Sayı
5
