Naslov
On the nature of structural fluctuations in complex liquids

Autori
Požar, Martina

Vrsta, podvrsta i kategorija rada
Ocjenski radovi, doktorska disertacija

Fakultet
Prirodoslovno-matematički fakultet i Faculté des Sciences et Ingénierie

Mjesto
Split i Pariz

Datum
16.11

Godina
2018

Stranica
178

Mentor
Zoranić, Larisa i Perera, Aurélien

Ključne riječi
liquids ; binary-mixtures ; molecular-dynamics ; structural-properties ; microheterogeneity ; water ; alcohols ; amines ; non-polar-solvents

Sažetak
The analysis of different types of structuring, present in simple and complex liquids and their mixtures, was done using the method of molecular dynamics. Complex mixtures have at least one associative component, such as water, alcohols (mono-ols and diols) and amines. The supra-molecular structuring in these mixtures is detected, described, quantified and connected with the atom-atom interactions is the molecules. These systems have interesting fluctuation behaviors, as shown through Kirkwood-Buff integrals. Their correlation functions behave in a complex way, depending on the component, concentration and temperature. The pre-peak at small k values in the site-site structure factor is defined as a signature of molecular domains in these mixtures. A special focus is placed on long-range structuring, which is a novelty considering the majority of the work in the field of the physics of liquids. This thesis contributes to a better understanding of micro-heterogeneous structures in molecular liquids, and gives new links to structural heterogeneities in soft and bio-matter.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

Napomena
Disertacija je proizišla iz doktorata pod dvojnim mentorstvom (cotutelle) Sveučilišta u Splitu i Sveučilišta Sorbonne u Parizu.

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