A Molecular Dynamics Investigation of Hydrogen Bonding in Supercritical Water

1995 ◽  
pp. 47-64 ◽  
Author(s):  
Tahmid I. Mizan ◽  
Phillip E. Savage ◽  
Robert M. Ziff
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Supercritical Water

Heterogeneous character of supercritical water at 400 °C and different densities unveiled by simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (36) ◽  
pp. 30484-30487 ◽  
Author(s):  
Noureddine Metatla ◽  
Fabien Lafond ◽  
Jean-Paul Jay-Gerin ◽  
Armand Soldera
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Supercritical Water ◽  
Dynamics Simulations ◽  
Clustering Behavior

Molecular dynamics simulations are used to examine the molecular microstructures and the “clustering” behavior of supercritical water at 400 °C and different densities.

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