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Microheterogeneity in aqueous mixtures (CROSBI ID 530260)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Zoranić, Larisa ; Sokolić, Franjo ; Perera, Aurélien Microheterogeneity in aqueous mixtures // The 2nd Opatija Meeting on Computational Solutions in the Life Science / Babić, Darko ; Došlić, Nađa ; Smith, David et al. (ur.). Zagreb: Centre for Computional Solutions in the Life Science, Ruđer Bošković Institute, 2007. str. 41-x

Podaci o odgovornosti

Zoranić, Larisa ; Sokolić, Franjo ; Perera, Aurélien

engleski

Microheterogeneity in aqueous mixtures

The microheterogeneity is related to the fact that associated liquids and mixtures are locally heterogeneous while being globally homogeneous. It is puzzling that liquids, which are in the equilibrium state and far from phase transitions exhibit local heterogeneity. For example, the existence of local inhomogeneity is characteristic for metastable, or even unstable states, where concentration fluctuations become more pronounced, and this instability eventually leads to the phase transition. How the fine balance between microheterogenity and concentration fluctuation is reached and what are the premises of this feature, are questions that will be discussed here. Starting from neat liquids, namely water and alcohols, we investigated the formation of microstructure through the density-density correlation functions, both in direct and reciprocal space, as well as an effective local one-body density function defined by the cluster distribution. We show that two neat alcohols, methanol and tertbutanol, have a rich microstructure: chain-like molecular association for the former and micelle-like for the latter. This proves that even in neat liquids the influence of the hydrogen bonding is to create local ordering, which is not propagated on the global scale. How does this behaviour get translated in the mixtures of hydrogen-bonded liquids? Recent findings, namely for water-methanol mixtures, indicate local immiscibility at the nanoscale level, while these mixtures are fully miscible at the macroscopic level. The resulting influence on the Kirkwood-Buff integrals, which are often considered to contain experimental evidence for microheterogeneity, are investigated.

Microheterogeneity; Kirkwood-Buff integrals

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Podaci o prilogu

41-x.

2007.

objavljeno

Podaci o matičnoj publikaciji

The 2nd Opatija Meeting on Computational Solutions in the Life Science

Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian

Zagreb: Centre for Computional Solutions in the Life Science, Ruđer Bošković Institute

978-953-6690-69-5

Podaci o skupu

The 2nd Opatija Meeting on Computational Solutions in the Life Science

predavanje

04.09.2007-09.09.2007

Opatija, Hrvatska

Povezanost rada

Fizika