Naslov
Simple and complex disorder in binary mixtures

Autori
Primorac, Tomislav ; Sokolić, Franjo ; Vrabec, Jadran ; Janzen, Tatjana ; Zoranić, Larisa ; Požar, Martina ; Lovrinčević, Bernarda ; 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, 130-130

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
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
binary mixtures ; microheterogeneity ; simulation ; benzene

Sažetak
We aim to classify binary mixtures according to whether they contain hydrogen bonds forming liquids (water, alcohols) or not (benzene, cyclohexane, toluene, carbon tetrachlo- ride), into complex and simple disorder. We define complex disorder as the presence of microheterogeneous spatial associations of molecules with similar interactions, like hydrogen bonding ones, where simple disorder represents the totally homogeneous mixture. For that purpose we compare experimental and simulation results for thermodynamic, structural (ra- dial distribution factor, structural factor and Kirkwood-Buff integral) and dynamical (diffu- sion coefficient) data. This analysis clarifies the role of the concentration fluctuations versus that of micro-heterogeneous structures. This is done mainly analyzing the k=0 values of the structure factors S(k) and those corresponding to the pre-peak. The existance of structure factor prepeaks at small k, arising from periodicity in radial distribution functions should imply the microheterogeneous structural ordering. The structure factor value at k=0 tells us about the concentration fluctuations which are, with the help from statistical physics, related to the experimentally measureable quantities such as isothermal compresibility. Un- derstanding the microheterogeneity and structural behavior on molecular level can be useful in understanding more complex biological structures and processes.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

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