Molecular dynamics investigation on the lignin gasification in supercritical water

2019 ◽  
Vol 192 ◽  
pp. 203-209 ◽  
Author(s):  
Hanqing Li ◽  
Bonan Xu ◽  
Hanhui Jin ◽  
Kun Luo ◽  
Jianren Fan
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Water ◽  
Lignin Gasification

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.

Molecular Dynamics Study on the Density Fluctuation of Supercritical Water.

2002 ◽  
Vol 1 (3) ◽  
pp. 83-88 ◽  
Author(s):  
Kazuyoshi UEDA ◽  
Taro KOMAI ◽  
Isseki YU ◽  
Haruo NAKAYAMA
Keyword(s):  
Molecular Dynamics ◽  
Supercritical Water ◽  
Density Fluctuation
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