Naslov
Statistical and thermodynamical analysis of the micro-structure in molecular emulsions

Autori
Kežić, Bernarda

Vrsta, podvrsta i kategorija rada
Ocjenski radovi, doktorska disertacija

Fakultet
Prirodoslovno-matematički fakultet i Ecole Doctorale de Physique - ED389

Mjesto
Split i Pariz

Datum
23.10

Godina
2013

Stranica
195

Mentor
Sokolić, Franjo i Perera, Aurelien

Ključne riječi
aqueous mixtures; concentration fluctuations; micro-heterogeneity; integral equations; computer simulations; molecular emulsions

Sažetak
Aqueous mixtures differ from mixtures of simple liquids from the fact that water molecules tend to self-associate preferentially due to the hydrogen bonding interaction, hence segregating solute molecules, without however leading to macroscopic phase separation. Even simple mixtures such as water with methanol exhibit such local order. The resulting micro-heterogeneity (MH) appear then as distinct from concentration fluctuations (CF), which play an important role in the stability of mixtures. By establishing a correspondence between micro-emulsions and these mixtures that we name as “molecular emulsions”, from the small wave number form of the Ornstein-Zernike theory, we demonstrate how certain difficulties intrinsic to molecular simulations can be avoided by accounting for the long-range form of the correlations. Similarly, by introducing bridge functions which we extract from simulation results of neat liquids, a better understanding of the behaviour of liquid state integral equation theories is achieved, which in particular help a better understanding of the difference between CF and MH.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

Napomena
Doktorat pod dvojnim mentorstvom (cotutelle)

POVEZANOST RADA