Zobrazeno 1 - 10
of 92
pro vyhledávání: '"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
Autor:
Aurélien, Perera, Tomaz, Urbic
Publikováno v:
Journal of Molecular Liquids (2018)
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also with three
Externí odkaz:
http://arxiv.org/abs/1802.02357
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
https://doi.org/10.26434/chemrxiv-2022-hz6cb
Publikováno v:
The Journal of chemical physics. 156(12)
Some binary mixtures, such as specific alcohol–alkane mixtures or even water–tbutanol, exhibit two humps “camel back” shaped Kirkwood–Buff integrals (KBIs). This is in sharp contrast with the usual KBIs of binary mixtures having a single ex
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⟩
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
http://arxiv.org/abs/2105.03407
Autor:
Robin Sakrowski, Jennifer Bolle, Mirko Elbers, Aurélien Perera, S. Peter Bierwirth, Martina Požar, P. Münzner, Michael Paulus, Susanne Dogan, Metin Tolan, Göran Surmeier, Christian Sternemann, Roland Böhmer, Christian Albers
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, ⟨10.1039/d1cp02468j⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, ⟨10.1039/d1cp02468j⟩
International audience; The understanding of the microstructure of associated liquids promoted by hydrogen-bonding andconstrained by steric hindrance is highly relevant in chemistry physics, biology and for many aspects ofdaily life. In this study we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7a41632abfedee689c17c2191e81844
https://www.bib.irb.hr/1154839
https://www.bib.irb.hr/1154839
Autor:
Aurélien Perera, Tomaz Urbic
Publikováno v:
Journal of Molecular Liquids
Journal of Molecular Liquids, Elsevier, 2018, 265, pp.307-315. ⟨10.1016/j.molliq.2018.05.133⟩
Journal of Molecular Liquids, Elsevier, 2018, 265, pp.307-315. ⟨10.1016/j.molliq.2018.05.133⟩
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also with three
Autor:
Aurélien Perera, Isham Le Tenoux-Rachidi, Franjo Sokolić, Martina Požar, Bernarda Lovrinčević, Adrien Bella
Publikováno v:
Journal of Molecular Liquids
Journal of Molecular Liquids, Elsevier, 2019, 293, pp.111447. ⟨10.1016/j.molliq.2019.111447⟩
Journal of Molecular Liquids, Elsevier, 2019, 293, pp.111447. ⟨10.1016/j.molliq.2019.111447⟩
International audience; Mixtures of 1-alkanols are a textbook example of the concept of ideal mixtures. Yet, such mixtures have a very strong local order due to the hydrogen bonding interactions, with a strong tendency for chain formation. Despite th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af16bac7cdccc9e907ac42c1bee97566
https://hal.sorbonne-universite.fr/hal-02407576
https://hal.sorbonne-universite.fr/hal-02407576
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
Autor:
Martina Požar, Aurélien Perera
Publikováno v:
Journal of Molecular Liquids
Journal of Molecular Liquids, Elsevier, 2016, ⟨10.1016/j.molliq.2016.12.005⟩
Journal of Molecular Liquids, 2016, ⟨10.1016/j.molliq.2016.12.005⟩
Journal of Molecular Liquids, Elsevier, 2016, ⟨10.1016/j.molliq.2016.12.005⟩
Journal of Molecular Liquids, 2016, ⟨10.1016/j.molliq.2016.12.005⟩
International audience; The micro-heterogeneous structure of neat and aqueous propylamine is examined through computer simulations. Neat propylamine is found to have a pre-peak in the nitrogen-nitrogen structure factor, due to the presence of branche