Pressure-Dependent Structure of Methanol–Water Mixtures up to 1.2 GPa: Neutron Diffraction Experiments and Molecular Dynamics Simulations

Pressure-Dependent Structure of Methanol–Water Mixtures up to 1.2 GPa: Neutron Diffraction Experiments and Molecular Dynamics Simulations

Total scattering structure factors of per-deuterated methanol and heavy water, CD<sub>3</sub>OD and D<sub>2</sub>O, have been determined across the entire composition range as a function of pressure up to 1.2 GPa, by neutron diffraction. The largest variations due to increasi...

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Bibliographic Details
Main Authors: László Temleitner, Takanori Hattori, Jun Abe, Yoichi Nakajima, László Pusztai
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
alcohol–water mixtures
high pressure
neutron diffraction
molecular dynamics simulations
Online Access:https://www.mdpi.com/1420-3049/26/5/1218

Internet

https://www.mdpi.com/1420-3049/26/5/1218

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