Abstract
Phonon spectrometric mapping of the O:H–O bond relaxation dynamics across the phase diagram along the following paths confirmed the reality of the O:H–O cooperativity mechanism: (i) liquid water at 300 K and ice at 80 K as a function of pressure, (ii) liquid water cooling from 350 to 80 K under the ambient pressure, (iii) mechanical freezing of the ambient water under compression up to 4.0 GPa, and, (iv) liquid water heating from 253 to 753 K under 30 MPa pressure. Observations classify the TC(P) phase boundaries of water and ice into four types according to their slopes. O:H compression dictates the positively-sloped such as Vapor/Liquid boundaries; the H–O elongation dictates the negatively-sloped such as VII/VIII boundaries, while O:H–O frozen dictates the XI/Ic constant TC boundary and the symmetrical relaxation governs the X/(VII, VIII) constant PC boundaries.
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• Raman spectroscopy visualizes directly O:H–O bonding dynamics across the phase diagram.
• Slopes of the T C (P C ) boundaries categorize the phase boundaries into four groups.
• The elongation/compression of a certain segment dictates the negatively/positively-sloped T C (P C ) boundaries; ∠O:H–O relaxation with equal Δd x dictate the zero or the δ(P C )-sloped boundaries.
• Reproduction of the VII/VIII and the Liquid/Vapor boundaries result in the E H and the d L (P) function, respectively.
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Sun, C.Q., Sun, Y. (2016). Phase Diagram: Bonding Dynamics. In: The Attribute of Water. Springer Series in Chemical Physics, vol 113. Springer, Singapore. https://doi.org/10.1007/978-981-10-0180-2_4
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DOI: https://doi.org/10.1007/978-981-10-0180-2_4
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