Glass polymorphism and liquid–liquid phase transition in aqueous solutions: experiments and computer simulations

J Bachler, PH Handle, N Giovambattista… - Physical Chemistry …, 2019 - pubs.rsc.org
One of the most intriguing anomalies of water is its ability to exist as distinct amorphous ice
forms (glass polymorphism or polyamorphism). This resonates well with the possible first …

[HTML][HTML] Communication: Hydrogen bonding interactions in water-alcohol mixtures from X-ray absorption spectroscopy

RK Lam, JW Smith, RJ Saykally - The Journal of chemical physics, 2016 - pubs.aip.org
While methanol and ethanol are macroscopically miscible with water, their mixtures exhibit
negative excess entropies of mixing. Despite considerable effort in both experiment and …

Direct observation of reversible liquid–liquid transition in a trehalose aqueous solution

Y Suzuki - Proceedings of the National Academy of …, 2022 - National Acad Sciences
Water forms two glassy waters, low-density and high-density amorphs, which undergo a
reversible polyamorphic transition with the change in pressure. The two glassy waters …

Intermolecular interactions in an equimolar methanol-water mixture: Neutron scattering, DFT, NBO, AIM, and MD investigations

S Trabelsi, M Tlili, H Abdelmoulahi, S Bouazizi… - Journal of Molecular …, 2022 - Elsevier
A detailed analysis of equimolar methanol–water (MeW) liquid structure at 298 K and
atmospheric pressure is performed using neutron scattering, Density Functional Theory …

[HTML][HTML] Temperature-dependent structure of methanol-water mixtures on cooling: X-ray and neutron diffraction and molecular dynamics simulations

I Pethes, L Pusztai, K Ohara, S Kohara… - Journal of Molecular …, 2020 - Elsevier
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray
and neutron diffraction at low temperatures. We are thus able to report the first complete sets …

Hydrophilic and hydrophobic effects on the structure and themodynamic properties of confined water: Water in solutions

F Mallamace, D Mallamace, SH Chen… - International Journal of …, 2021 - mdpi.com
NMR spectroscopy is used in the temperature range 180–350 K to study the local order and
transport properties of pure liquid water (bulk and confined) and its solutions with glycerol …

Densities and viscosities of (ethylene glycol-water) and (1, 3-propanediol-water) binary mixtures at high temperatures of 373.2 and 473.2 K and high pressures up to …

T Ono, Y Komatsu, Y Sasaki, M Ota, Y Sato… - Journal of Molecular …, 2022 - Elsevier
Densities and viscosities of ethylene glycol-water and 1, 3-propanediol-water binary
mixtures have been measured over the whole composition range at 373.2 K and 473.2 K …

The Stokes-Einstein relation in water/methanol solutions

C Corsaro, E Fazio, D Mallamace - The Journal of Chemical Physics, 2019 - pubs.aip.org
The hydrogen bonding ability of both water and methanol, together with the occurrence of
hydrophobic interactions, makes their solutions nonideal. This nonideality is reflected in both …

Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields

G Cassone, A Sofia, J Sponer, AM Saitta, F Saija - Molecules, 2020 - mdpi.com
Intense electric fields applied on H-bonded systems are able to induce molecular
dissociations, proton transfers, and complex chemical reactions. Nevertheless, the effects …

Effect of truncating electrostatic interactions on predicting thermodynamic properties of water–methanol systems

A Rahbari, R Hens, SH Jamali, M Ramdin… - Molecular …, 2019 - Taylor & Francis
The combination of the TraPPE and OPLS/2016 force fields with five water models, TIP3P,
SPC/E, OPC, TIP4P/2005 and TIP4P/EW was used to compute mixing enthalpies, excess …