Water's phase diagram: From the notion of thermodynamics to hydrogen-bond cooperativity

Zhang, Xi; Sun, Peng; Yan, Tingting; Huang, Yongli; Ma, Zengsheng; Zou, Bo; Zheng, Weitao; Zhou, Ji; Gong, Yinyan; Sun, Chang Q.

doi:10.1016/j.progsolidstchem.2015.03.001

Cited by 69 publications

(35 citation statements)

References 43 publications

(64 reference statements)

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“… Concentration dependence of the ω H DPS for (a) H 2 O 2 /H 2 O and (b) KOH/H 2 O solutions and (c) mechanically‐compressed H 2 O, under the ambient temperature. (d) Comparison of the fraction coefficient for H 2 O 2 and HO − .…”

Section: Differential Raman Spectrometrics (Dps)mentioning

confidence: 95%

“…In this communication, we report our examination of the solvation dynamics and the capabilities of H 2 O 2 and HO − to transform the surface stress, solute H−O bonds, and solvent hydrogen bond (O:H−O or HB with “:” being the lone pair of electrons). The solute capability examination is conducted with comparison of the H 2 O 2 , the HO − in KOH solution and the effect of mechanical compression of water on the O:H−O bond segmental vibration frequencies. We used the Raman differential phonon spectrometrics (DPS) and the contact angle detection.…”

Section: Introductionmentioning

confidence: 99%

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H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

et al. 2017

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We show spectrometrically that H 2 O 2 and HO À solvation resolves the HÀO stretching vibration from the mode of the ordinary water centered at~3200 cm À1 to its below by O:b:O compression. An excessive mode due H 2 O 2 solute appears at3 550 cm À1 and due HO À at~3610 cm À1 , which features the effect of molecular solute bond-order deficiency. The O:b:O compression has the same effect to applied pressure that elongates the solvent HÀO bond and shortens the O:H nonbond. The H 2 O 2 is less than the HO À capable of raising the surface stress and transforming the fraction of the HÀO bonds because of the involvement of solute-solute interactions.[a] J.

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Section: Differential Raman Spectrometrics (Dps)mentioning

confidence: 95%

Section: Introductionmentioning

confidence: 99%

H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

et al. 2017

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“…Based on our extensive investigation of water anomalies21343536, we proposed hidden force model for dynamics of the “O: H-O” bond under external pressures, as shown in Fig. 1a.…”

Section: Potential Model Proposedmentioning

confidence: 99%

“…the repulsive force between the H-O bonding electrons and the O:H nonbonding pair within a O:H-O bond, should play a significant role in various anomalies of water and ice, such as extraordinary recoverability, skin lubricity, etc 33343536…”

mentioning

confidence: 99%

“…. For example, in the temperature range from 250 K to 277 K, H-O covalent bond exhibit the normal thermal expansion, while O:H nonbond shrinks due to the reducing repulsive force, leading to the contraction of the total O–O distance3436. At the skin of ice, due to the decrease of the molecular coordination, H-O covalence bond contracts spontaneously to lower the cohesive energy, and hence O:H nonbond is polarized, leading to the surface lubricity3537.…”

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Hydrogen-bond potential for ice VIII-X phase transition

Zhang

Chen

2016

Sci Rep

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Repulsive force between the O-H bonding electrons and the O:H nonbonding pair within hydrogen bond (O-H:O) is an often overlooked interaction which dictates the extraordinary recoverability and sensitivity of water and ice. Here, we present a potential model for this hidden force opposing ice compression of ice VIII-X phase transition based on the density functional theory (DFT) and neutron scattering observations. We consider the H-O bond covalent force, the O:H nonbond dispersion force, and the hidden force to approach equilibrium under compression. Due to the charge polarization within the O:H-O bond, the curvatures of the H-O bond and the O:H nonbond potentials show opposite sign before transition, resulting in the asymmetric relaxation of H-O and O:H (O:H contraction and H-O elongation) and the H+ proton centralization towards phase X. When cross the VIII-X phase boundary, both H-O and O:H contract slightly. The potential model reproduces the VIII-X phase transition as observed in experiment. Development of the potential model may provide a choice for further calculations of water anomalies.

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A Breathable, Passive‐Cooling, Non‐Inflammatory, and Biodegradable Aerogel Electronic Skin for Wearable Physical‐Electrophysiological‐Chemical Analysis

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Water's phase diagram: From the notion of thermodynamics to hydrogen-bond cooperativity

Cited by 69 publications

References 43 publications

H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

Hydrogen-bond potential for ice VIII-X phase transition

A Breathable, Passive‐Cooling, Non‐Inflammatory, and Biodegradable Aerogel Electronic Skin for Wearable Physical‐Electrophysiological‐Chemical Analysis

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Water's phase diagram: From the notion of thermodynamics to hydrogen-bond cooperativity

Cited by 69 publications

References 43 publications

H2O2 and HO− Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

H2O2 and HO− Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

Hydrogen-bond potential for ice VIII-X phase transition

A Breathable, Passive‐Cooling, Non‐Inflammatory, and Biodegradable Aerogel Electronic Skin for Wearable Physical‐Electrophysiological‐Chemical Analysis

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Product

Resources

About

H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions

H₂O₂ and HO⁻ Solvation Dynamics: Solute Capabilities and Solute‐Solvent Molecular Interactions