Erratum: Phase equilibrium and metastability of liquid benzene at high pressures [J. Chem. Phys. 124, 204505 (2006)]

2006 ◽  
Vol 125 (9) ◽  
pp. 099901 ◽  
Author(s):  
M. Azreg-Aïnou ◽  
A. Hüseynov ◽  
B. İbrahimoğlu
Keyword(s):  
Phase Equilibrium ◽  
High Pressures ◽  
Chem Phys ◽  
Liquid Benzene

Phase equilibrium and metastability of liquid benzene at high pressures

2006 ◽  
Vol 124 (20) ◽  
pp. 204505 ◽  
Author(s):  
M. Azreg-Aïnou ◽  
A. Hüseynov ◽  
B. İbrahimoğlu
Keyword(s):  
Phase Equilibrium ◽  
High Pressures ◽  
Liquid Benzene

Phase equilibrium data and thermodynamic modeling of the system propane+NMP+methanol at high pressures

2010 ◽  
Vol 55 (1) ◽  
pp. 23-31 ◽  
Author(s):  
Rafael M. Charin ◽  
Marcos L. Corazza ◽  
Papa M. Ndiaye ◽  
Marcio A. Mazutti ◽  
J. Vladimir Oliveira
Keyword(s):  
Phase Equilibrium ◽  
Thermodynamic Modeling ◽  
High Pressures ◽  
Phase Equilibrium Data ◽  
Equilibrium Data

Thermodynamic, spectroscopic and phase equilibrium investigations on polar fluid mixtures at high pressures

1987 ◽  
Vol 59 (9) ◽  
pp. 1115-1126 ◽  
Author(s):  
G. M. Schneider ◽  
Jürgen Ellert ◽  
Udo Haarhaus ◽  
I. F. Holscher ◽  
Gudrun Katzenski-Ohling ◽  
...  
Keyword(s):  
Phase Equilibrium ◽  
High Pressures ◽  
Polar Fluid ◽  
Fluid Mixtures

scholarly journals Volume analysis of supercooled water under high pressure

MRS Advances ◽  
2018 ◽  
Vol 3 (41) ◽  
pp. 2467-2478
Author(s):  
Solomon F. Duki ◽  
Mesfin Tsige
Keyword(s):  
High Pressure ◽  
Water Sample ◽  
High Pressures ◽  
Supercooled Water ◽  
Supercooled Liquid ◽  
Chem Phys ◽  
Bulk Water ◽  
Isothermal Compression ◽  
Emulsified Water ◽  
Dynamics Simulations

ABSTRACTMotivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from 40 K to 380 K using two different cooling rates, 10 K/ns and 10 K/5 ns. For the heating simulations we used the slowest heating rate (10 K/5 ns) by applying the same range of isobars. Our analysis of the variation of the volume of the bulk water sample with temperature at different pressures from both isobaric cooling/heating and isothermal compression cycles indicates a concave-downward curvature at high pressures that is consistent with the experiment for emulsified water. In particular, a strong concave down curvature is observed between the temperatures 180 K and 220 K. Below the glass transition temperature, which is around 180 K at 1GPa, the volume turns to concave upward curvature. No crystallization of the supercooled liquid state was observed below 180 K even after running the system for an additional microsecond.

scholarly journals Carbon clusters formed from shocked benzene

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
D. M. Dattelbaum ◽  
E. B. Watkins ◽  
M. A. Firestone ◽  
R. C. Huber ◽  
R. L. Gustavsen ◽  
...  
Keyword(s):  
High Pressures ◽  
Complex Mixture ◽  
Carbon Clusters ◽  
X Rays ◽  
Reaction Products ◽  
Ambient Conditions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Liquid Benzene ◽  
X Ray Scattering

AbstractBenzene (C6H6), while stable under ambient conditions, can become chemically reactive at high pressures and temperatures, such as under shock loading conditions. Here, we report in situ x-ray diffraction and small angle x-ray scattering measurements of liquid benzene shocked to 55 GPa, capturing the morphology and crystalline structure of the shock-driven reaction products at nanosecond timescales. The shock-driven chemical reactions in benzene observed using coherent XFEL x-rays were a complex mixture of products composed of carbon and hydrocarbon allotropes. In contrast to the conventional description of diamond, methane and hydrogen formation, our present results indicate that benzene’s shock-driven reaction products consist of layered sheet-like hydrocarbon structures and nanosized carbon clusters with mixed sp2-sp3 hybridized bonding. Implications of these findings range from guiding shock synthesis of novel compounds to the fundamentals of carbon transport in planetary physics.

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