Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach

2019 ◽  
Vol 151 (6) ◽  
pp. 064703 ◽  
Author(s):  
José G. Solano Canchaya ◽  
Alain Dequidt ◽  
Sebastien Garruchet ◽  
Benoit Latour ◽  
Nicolas Martzel ◽  
...  
Keyword(s):  
Metal Oxide ◽  
Coarse Grain ◽  
Bottom Up ◽  
Polymer Interface ◽  
Grain Model

Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials

2014 ◽  
Vol 5 (12) ◽  
pp. 2144-2149 ◽  
Author(s):  
John K. Brennan ◽  
Martin Lísal ◽  
Joshua D. Moore ◽  
Sergei Izvekov ◽  
Igor V. Schweigert ◽  
...  
Keyword(s):  
Heterogeneous Materials ◽  
Nonequilibrium Dynamics ◽  
Coarse Grain ◽  
Model Simulations ◽  
Grain Model

Coarse-grain model for internal energy excitation and dissociation of molecular nitrogen

2012 ◽  
Vol 398 ◽  
pp. 90-95 ◽  
Author(s):  
Thierry E. Magin ◽  
Marco Panesi ◽  
Anne Bourdon ◽  
Richard L. Jaffe ◽  
David W. Schwenke
Keyword(s):  
Internal Energy ◽  
Molecular Nitrogen ◽  
Coarse Grain ◽  
Energy Excitation ◽  
Grain Model

Coarse-Grain Model for Glucose, Cellobiose, and Cellotetraose in Water

2011 ◽  
Vol 7 (7) ◽  
pp. 2137-2150 ◽  
Author(s):  
Antti-Pekka Hynninen ◽  
James F. Matthews ◽  
Gregg T. Beckham ◽  
Michael F. Crowley ◽  
Mark R. Nimlos
Keyword(s):  
Coarse Grain ◽  
Grain Model

Biomass steam gasification in bubbling fluidized bed for higher-H2 syngas: CFD simulation with coarse grain model

2019 ◽  
Vol 44 (13) ◽  
pp. 6448-6460 ◽  
Author(s):  
Tian Qi ◽  
Tingzhou Lei ◽  
Beibei Yan ◽  
Guanyi Chen ◽  
Zhongshan Li ◽  
...  
Keyword(s):  
Fluidized Bed ◽  
Cfd Simulation ◽  
Steam Gasification ◽  
Coarse Grain ◽  
Bubbling Fluidized Bed ◽  
Grain Model

Coarse-grain model of the benzene ring with para-substituents in the molecule

2012 ◽  
Vol 136 (9) ◽  
pp. 094102 ◽  
Author(s):  
Vladimir S. Neverov ◽  
Andrei V. Komolkin
Keyword(s):  
Benzene Ring ◽  
Coarse Grain ◽  
Grain Model
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