Lifetime distribution of clusters in binary mixtures involving hydrogen bonding liquids

Autor: Ivo Jukić, Martina Požar, Bernarda Lovrinčević, Aurélien Perera

Publikováno v: Scientific Reports, Vol 12, Iss 1, Pp 1-9 (2022)

Abstract Hydrogen bonded liquids are associated liquids and tend to exhibit local inhomogeneity in the form of clusters and segregated sub-nano domains. It is an open question as to whether Hbonded clusters in pure water have common features with the

Externí odkaz: https://doaj.org/article/85c180caae364b3fb58f5c78d837a7e0

On the role charge ordering in the dynamics of cluster formation in associated liquids

Autor: Bernarda Lovrincevic, Martina Pozar, Ivo Jukic, Aurélien PERERA

Liquids are archetypes of disordered systems, yet liquids of polar molecules are locally more ordered than non-polar molecules, due to the Coulomb interaction based charge ordering phenomenon. Hydrogen bonded liquids, such as water or alcohols, for e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::78cd0dda71332f6fa0dab8cb5372701a
https://doi.org/10.26434/chemrxiv-2022-hz6cb

Universal features in lifetime distribution of clusters in hydrogen bonding liquids

Autor: Ivo Jukić, Martina Požar, Aurélien Perera, Bernarda Lovrinčević

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/d1cp02027g⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/D1CP02027G⟩

Hydrogen bonding liquids, typically water and alcohols, are known to form labile structures (network, chains, etc...), hence the lifetime of such structures is an important microscopic parameter, which can be calculated in computer simulations. Since

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05db36acc97fa8a6dfc4c945e5f6c4c9
http://arxiv.org/abs/2105.03407

Evolution of the micro-structure of aqueous alcohol mixtures with cooling: A computer simulation study

Autor: Martina Požar, Aurélien Perera

Publikováno v: Journal of Molecular Liquids. 248:602-609

We study by computer simulations aqueous ethanol and tert-butanol mixtures for temperatures below room temperature, from T=250 K to T=150 K, in order to monitor how concentration fluctuations and micro-segregation evolve with the lowering of temperat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c1e25fd4ffcde8cfa1be4ef22168475
https://doi.org/10.1016/j.molliq.2017.10.039

Lifshitz phase: the microscopic structure of aqueous and ethanol mixtures of 1,n-diols

Autor: Aurélien Perera, Martina Požar

Publikováno v: Physical Chemistry Chemical Physics. 19:14992-15004

We study binary mixtures of ethylene glycol and 1, 3-propandiol with water or ethanol using computer simulations. Despite strong hydrogen bonding tendencies between all these molecules, we find that these mixtures are surprisingly homogeneous, in con

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edc26ac75f166ab58bc317387254cb41
https://doi.org/10.1039/c7cp01949a