Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/96193
Title: Water nanodroplet thermodynamics : quasi-solid phase boundary dispersivity
Authors: Zhang, Xi
Sun, Peng
Huang, Yongli
Ma, Zengsheng
Liu, Xinjuan
Zhou, Ji
Zheng, Weitao
Sun, Chang Qing
Keywords: DRNTU::Science::Chemistry::Physical chemistry::Thermodynamics
Issue Date: 2015
Source: Zhang, X., Sun, P., Huang, Y., Ma, Z., Liu, X., Zhou, J., et al. (2015). Water nanodroplet thermodynamics : quasi-solid phase-boundary dispersivity. The Journal of Physical Chemistry B, 119(16), 5265-5269.
Series/Report no.: The journal of physical chemistry B
Abstract: It has long been puzzling that water nanodroplet undergoes simultaneously “supercooling” at freezing and “superheating” at melting. Recent progress [Sun et al., J Phys Chem Lett 2013, 4: 2565; ibid, 4: 3238] enables us to resolve this anomaly from the perspective of hydrogen bond (O:H-O) specific-heat disparity. A superposition of the specific-heat x(T) curves for the H-O bond (x = H) and the O:H nonbond (x = L) defines two intersecting temperatures that form boundaries of the quasi-solid phase between ice and liquid water. Molecular undercoordination (with fewer than four nearest neighbours in the bulk) stretches the H(T) curve by raising the Debye temperature DH through H-O bond shortening and phonon stiffening. The H(T) stretching is coupled with the L(T) depressing because of the Coulomb repulsion between electron pairs on oxygen ions. The extent of dispersion varies with the size of a droplet that prefers a core-shell structure configuration – the bulk interior and the skin. Understandings may open an effective way of dealing with the thermodynamic behaviour of water droplets and bubbles from the perspective of O:H-O bond cooperativity.
URI: https://hdl.handle.net/10356/96193
http://hdl.handle.net/10220/38481
DOI: http://dx.doi.org/10.1021/acs.jpcb.5b00773
Rights: © 2015 American Chemical Society (ACS). This is the author created version of a work that has been peer reviewed and accepted for publication by The Journal of Physical Chemistry B, American Chemical Society (ACS). It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1021/acs.jpcb.5b00773].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:EEE Journal Articles

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