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Dynamical correlations in simple disorder and complex disorder liquids (CROSBI ID 723251)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija

Bernarda Lovrinčević ; Ivo Jukić ; Martina Požar and Aurelien Perera Dynamical correlations in simple disorder and complex disorder liquids. 2022

Podaci o odgovornosti

Bernarda Lovrinčević ; Ivo Jukić ; Martina Požar and Aurelien Perera

engleski

Dynamical correlations in simple disorder and complex disorder liquids

Liquids are disordered and they come in two variants [1]: simple disorder, such as Lennard-Jones liquids, CCL4, or weakly polar liquids such as acetone, and complex disorder, such as water, alcohols, hydrogen bonding liquids, or soft-matter and biological liquids. The second variant differs from the first in the intriguing duality between concentration fluctuations and clustering [2]. In Ref.[1] we described this difference using statistical quantities such as atom-atom pair correlation functions, in particular the pre-peak feature [3]. In this presentation, we extend this study to dynamical atom- atom van Hove correlation functions and the associated memory functions, as obtained from molecular dynamics simulations. Interestingly, dynamical complexity is characterized by the difference between real time and kinetic time, the latter which is an emerged quantity, just as clusters are, due to the fact that associated entities appear as supra-particles, distinct from the real molecules in the system. The analysis highlights many new properties of dynamical correlations in molecular liquids. REFERENCES [1] M. Požar et al., Simple and complex disorder in binary mixtures with benzene as a common solvent, Phys. Chem. Chem. Phys., 17 (2015) 9885-9898 [2] A. Perera, M. Požar and B. Lovrinčević, Camel back shaped Kirkwood–Buff integrals, J. Chem. Phys. 156 (2022) 124503 [3] A. Perera, From solutions to molecular emulsions, Pure Appl. Chem. 88 (3) (2016) 189–206

Liquids ; Hydrogen bonding ; Dynamical correlations ; Dynamical strucure factor ; Molecular Dynamics

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Podaci o prilogu

22

2022.

objavljeno

Podaci o matičnoj publikaciji

Podaci o skupu

EMLG/JMLG Annual Meeting: Molecular Liquids at Interfaces

predavanje

12.09.2022-16.09.2022

Barcelona, Španjolska

Povezanost rada

Fizika, Kemija