Environmental Engineering Reference
In-Depth Information
TABLE 1.4
(Contiued)
Carbon Material Type
Applied Model and Simulation Methods
References
Carbon Structures
N
2
adsorption at77K and t-plot, Alpha-plot
[37]
Glassy carbon
Monte carlo simulation N adsorption
[38]
Carbon structures
DFT - Ar adsorption at 77 K
[39]
AC
N
2
adsorption- and DR equation - BjH
[40]
N
2
adsorption at 77 K
- BjH method
P-ASC
[123]
ACF
DRS equation-N
2
adsorption at 150
C
[126]
AC
DFT - N
2
adsorption at 77 K
[128]
CNT/Polymer Com-
posite
MDS - NPT
[132]
CNT composite
Molecular Dynamics Simulation (MDS) -
PMF
[121]
SWCNT
GCMC-LJ potential
[131]
CNT
MDS - PEOE algorithm-PME
[124]
CNT/PE composite
MDS - Brenner - Newtonian equation
[125]
SWCNT
MDS - DFTB-CPMD-REBO
[127]
CNT
MDS
[122]
CNT/Polymer
MDS - SHAKE algorithm - DL - Poly
[130]
SWCNT
MDS - CPMD-DFT
[129]
AC
DS-HK-IHK
[133]
2D Graphene
ADS - DFT - APMD - PAW
[134]
SWCNT
MDS - Berenner
[135]
CNT ropes
GCMC
[136]
CNT/Sodium
MDS
[137]
CNT
Abintio QMS-SFC
[138]
CNT
MDS - USHER algorithm - LJ Potential
[139]
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