Effect of Methane Adsorption on the Lifetime of a Dodecahedral Water Cluster Immersed in Liquid Water:  A Molecular Dynamics Study on the Hydrate Nucleation Mechanisms

2007 ◽  
Vol 111 (6) ◽  
pp. 2595-2606 ◽  
Author(s):  
Guang-Jun Guo ◽  
Yi-Gang Zhang ◽  
Hua Liu
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Water Cluster ◽  
Methane Adsorption ◽  
Nucleation Mechanisms

Lifetimes of cagelike water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms

2004 ◽  
Vol 121 (3) ◽  
pp. 1542-1547 ◽  
Author(s):  
Guang-Jun Guo ◽  
Yi-Gang Zhang ◽  
Ya-Juan Zhao ◽  
Keith Refson ◽  
Gui-Hua Shan
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Gas Hydrate ◽  
Water Clusters ◽  
Bulk Liquid ◽  
Nucleation Mechanisms

scholarly journals Measurement of the sound velocity of shock compressed water

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hua Shu ◽  
Jiangtao Li ◽  
Yucheng Tu ◽  
Junjian Ye ◽  
Junyue Wang ◽  
...  
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Liquid Water ◽  
Diamond Anvil Cell ◽  
Quantum Molecular Dynamics ◽  
Laser Shock ◽  
Diamond Anvil ◽  
Ionization Processes ◽  
Sound Velocities

AbstractThe sound velocities of water in the Hugoniot states are investigated by laser shock compression of precompressed water in a diamond anvil cell. The obtained sound velocities in the off-Hugoniot region of liquid water at precompressed conditions are used to test the predictions of quantum molecular dynamics (QMD) simulations and the SESAME equation-of-state (EOS) library. It is found that the prediction of QMD simulations agrees with the experimental data while the prediction of SESAME EOS library underestimates the sound velocities probably due to its improper accounting for the ionization processes.

scholarly journals Rotational-Diffusion Propagator of the Intramolecular Proton–Proton Vector in Liquid Water: A Molecular Dynamics Study

2017 ◽  
Vol 121 (48) ◽  
pp. 10893-10905 ◽  
Author(s):  
W. A. Monika Madhavi ◽  
Samantha Weerasinghe ◽  
Konstantin I. Momot
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Rotational Diffusion ◽  
Proton Proton
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