Naslov
The microscopic structure of hot and cold aqueous alcohol mixtures

Autori
Požar, Martina ; Lovrinčević, Bernarda ; Zoranić, Larisa ; Primorac, Tomislav ; Sokolić, Franjo ; Perera, Aurelien

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
The 13th International "Greta Pifat Mrzljak" School of Biophysics."ABC of Physics of Life: Book of abstracts" / Marion, Sanjin ; Delač Marion, Ida ; Maltar Strmečki, Nadica ; Josef-Golubić Sanja ; Vuletić, Tomislav - Zagreb : Croatian Biophysical Society & Institute of Physics, Zagreb, Croatia, 2016, 128-128

ISBN
978-953-7666-14-9

Skup
The 13th International "Greta Pifat Mrzljak" School of Biophysics

Mjesto i datum
Hrvatska, 01.09.2016. - 10.09.2016

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
binary mixtures ; microheterogeneity ; simulation ; alcohols ; supercooled region

Sažetak
Water and associating liquids constituate the environment where the vast majority of biological processes take place. Also, the physical principles that govern large scale asso- ciations and assembly of biological complexes are also responsible for the local structuring in liquid mixtures. In this work, we’re looking into the ordering in aqueous alcohol mix- tures. It is well known that, under ambient conditions, those mixtures have a pronounced micro-heterogeneous structure where water and alcohol form locally segregated domains [1]. What happens in colder conditions? How does this micro-heterogeneous structure evolve? By using computer simulations, we investigate the changes in microstructure with tempera- ture and concentration and show that it depends both on the topology of the methyl groups and the evolution with temperature of the charge ordering of the charged atomic sites. This evolution with temperature is followed through the static atom-atom distribution functions as well as Kirkwood-Buff integrals and atom-atom structure factors.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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