Distinct Molecular Dynamics Dividing Liquid-Like and Gas-Like Supercritical Hydrogens

2021 ◽  
Author(s):  
Shutaro Yamaoka ◽  
Hyeon-Deuk Kim
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Fluid ◽  
Practical Importance ◽  
Normal Liquid

Understanding how a supercritical fluid is related to normal liquid and gas and separating it into liquid-like and gas-like regions have fundamental and practical importance. Despite the usefulness for hydrogen...

scholarly journals Molecular dynamics study of mechanism of density fluctuation in supercritical fluid

2020 ◽  
Vol 65 (17) ◽  
pp. 1694-1704
Author(s):  
Wen Li ◽  
Jinliang Xu ◽  
Huan Liu ◽  
Yan Wang
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Fluid ◽  
Density Fluctuation

scholarly journals Critical vaporization of MgSiO3

2018 ◽  
Vol 115 (21) ◽  
pp. 5371-5376 ◽  
Author(s):  
Bing Xiao ◽  
Lars Stixrude
Keyword(s):  
Molecular Dynamics ◽  
Critical Temperature ◽  
Low Temperature ◽  
Supercritical Fluid ◽  
Vapor Phase ◽  
Molecular Species ◽  
Ab Initio Molecular Dynamics ◽  
The Moon ◽  
Hydrodynamic Simulations ◽  
Dynamics Simulations

Inhomogeneous ab initio molecular dynamics simulations show that vaporization of MgSiO3 is incongruent and that the vapor phase is dominated by SiO and O2 molecules. The vapor is strongly depleted in Mg at low temperature and approaches the composition of the liquid near the critical point. We find that the liquid–vapor critical temperature (6,600±150 K) is much lower than assumed in hydrodynamic simulations, pointing to much more extensive supercritical fluid after the Moon-forming impact than previously thought. The structure of the near-critical liquid is very different from what has been studied previously and includes a significant fraction (10%) of molecular species SiO and O2.

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