ArticleJournal of applied crystallography2025
Optimal ratio or historical convention: the use of methanol-ethanol mixtures as pressure-transmitting mediums.
Article in Journal of applied crystallography, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Compression of Ribavirin to 35 GPa.Crystal growth & design · 2026Article
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6 authors.
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Abstract
We employ a combined computational and experimental approach to systematically assess the hydrostatic properties of methanol-ethanol (MeOH-EtOH) mixtures of varying compositions, with the aim of evaluating their suitability as pressure-transmitting mediums (PTMs). PTMs are essential for enabling the characterization of materials properties at high pressure, perhaps most prominently in the context of diffraction measurements, to provide uniform compression and avoid strain on the sample. Molecular dynamics (MD) simulations indicate that the hydrostatic limit and several structural and dynamic properties of the widely used 4:1 MeOH-EtOH volume ratio do not exhibit any significant deviations from the monotonic trends observed as a function of MeOH content within the mixture. These findings are in agreement with X-ray pair distribution function measurements, which show no peculiar structural behaviour for the 4:1 composition. Experimental measurements of the hydrostatic limit confirm this result and demonstrate that, as previously reported, the role of ethanol is primarily to delay MeOH crystallization. However, we find that the same role can be fulfilled by other small molecules, such as propan-2-ol. Additional simulations of several MeOH-
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