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Figure 4
Structural properties of MeOH–EtOH mixtures at ambient pressure. The PDFs for different MeOH–EtOH mixtures under ambient conditions obtained from (a) simulations and experiments and (b) experiments only, overlapped for comparison. Panel (a) shows the change in the simulated G(r), from red to blue curves, as the MeOH fraction increases. Experimental G(r) are represented by black dashed lines. The different systems are offset vertically for better visualization and the heights of the peaks in the simulated PDFs were truncated for clarity whenever they extended beyond the experimental PDF for the given system (i.e. peaks with r < 2 Å). Panel (c) illustrates the naming convention used for each atom in the MeOH and EtOH molecules. Molecular diagrams drawn using Mercury (Groom et al., 2016View full citation).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 6| December 2025| Pages 1967-1977
https://doi.org/10.1107/S1600576725008349
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