Translational and Rotational Diffusion in Liquid Water at Very High Pressure: A Simulation Study

2019 ◽  
Vol 123 (47) ◽  
pp. 10025-10035 ◽  
Author(s):  
Pascale Friant-Michel ◽  
Jean-François Wax ◽  
Nadège Meyer ◽  
Hong Xu ◽  
Claude Millot
2019 ◽  
Vol 116 (19) ◽  
pp. 9191-9196 ◽  
Author(s):  
Josef N. Stern ◽  
Markus Seidl-Nigsch ◽  
Thomas Loerting

Thermal stability against crystallization upon isobaric heating at pressure 0.1 ≤ P ≤ 1.9 GPa is compared for five variants of high- (HDA) and very high-density amorphous ice (VHDA) with different preparation history. At 0.1–0.3 GPa expanded HDA (eHDA) and VHDA reach the same state before crystallization, which we infer to be the contested high-density liquid (HDL). Thus, 0.3 GPa sets the high-pressure limit for the possibility to observe HDL for timescales of minutes, hours, and longer. At P > 0.3 GPa the annealed amorphous ices no longer reach the same state before crystallization. Further examination of the results demonstrates that crystallization times are significantly affected both by the density of the amorphous matrix at the crystallization temperature Tx as well as by nanocrystalline domains remaining in unannealed HDA (uHDA) as a consequence of incomplete pressure-induced amorphization.


2002 ◽  
Vol 58 (3) ◽  
pp. 457-462 ◽  
Author(s):  
F. Liebau ◽  
H. Küppers

To compare densities of inorganic high-pressure phases their molal volumes or specific gravities are usually employed, whereas for zeolites and other microporous materials the so-called framework density, FD, is applied. The definition of FD, which refers only to phases with three-dimensional tetrahedron frameworks, is extended to a `generalized framework density' d f, which is independent of the dimensionality of the framework and the coordination number(s) of the framework cations. In this paper the anion packing density, d ap, is introduced as a new quantity which is not only applicable to any inorganic phase but, in contrast to FD and d f, also allows quantitative comparisons to be made for crystalline inorganic phases of any kind. The anion packing density can readily be calculated if the volume and content of the unit cell and the radii of the anions of a phase are known. From d ap values calculated for high-pressure silica polymorphs studied under very high pressure, it is concluded that Shannon–Prewitt effective ionic radii do not sufficiently take into account the compressibility of the anions.


During the researches upon high-pressure explosions of carbonic oxide-air, hydrogen-air, etc., mixtures, which have been described in the previous papers of this series, a mass of data has been accumulated relating to the influence of density and temperature upon the internal energy of gases and the dissociation of steam and carbon dioxide. Some time ago, at Prof. Bone’s request, the author undertook a systematic survey of the data in question, and the present paper summarises some of the principal results thereof, which it is hoped will throw light upon problems interesting alike to chemists, physicists and internal-combustion engineers. The explosion method affords the only means known at present of determining the internal energies of gases at very high temperatures, and it has been used for this purpose for upwards of 50 years. Although by no means without difficulties, arising from uncertainties of some of the assumptions upon which it is based, yet, for want of a better, its results have been generally accepted as being at least provisionally valuable. Amongst the more recent investigations which have attracted attention in this connection should be mentioned those of Pier, Bjerrum, Siegel and Fenning, all of whom worked at low or medium pressures.


Author(s):  
Khuram Maqsood ◽  
Abulhassan Ali ◽  
Rizwan Nasir ◽  
Aymn Abdul Rehman ◽  
Abdullah. S. Bin Mahfouz ◽  
...  

2012 ◽  
Vol 377 ◽  
pp. 012055 ◽  
Author(s):  
Y Mori ◽  
S Yokota ◽  
F Ono
Keyword(s):  

2021 ◽  
pp. 1-8
Author(s):  
Catherine A. M. Dillier ◽  
Erica D. Petersen ◽  
Thomas Sammet ◽  
Eric L. Petersen

Author(s):  
Rinke J. Wijngaarden ◽  
J. J. Scholtz ◽  
E. N. van Eenige ◽  
R. Griessen

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