Naslov
Microstructure of neat alcohols

Autori
Perera, Aurélien ; Sokolić, Franjo ; Zoranić, Larisa

Izvornik
Physical Review E. Statistical Physics, Plasmas, Fluids, & Related Interdisciplinary Topics (1539-3755) 75 (2007), 6, Part 1; 060502-4

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
microstructure; neat alcohols; MD study

Sažetak
Formation of microstructure in homogeneous associated liquids is analyzed through the density-density pair correlation functions, both in direct and reciprocal space, as well as an effective local one-body density function. This is illustrated through a molecular dynamics study of two neat alcohols, namely, methanol and tert-butanol, which have a rich microstructure: chainlike molecular association for the former and micellelike for the latter. The relation to hydrogen bonding interaction is demonstrated. The apparent failure to find microstructure in water-a stronger hydrogen bonding liquid-with the same tools is discussed.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA