Effects of surface mediation on the adsorption isotherm and heat of adsorption of argon on graphitized thermal carbon black

2010 ◽  
Vol 342 (2) ◽  
pp. 485-492 ◽  
Author(s):  
Chunyan Fan ◽  
G. Birkett ◽  
D.D. Do
2006 ◽  
Vol 24 (3) ◽  
pp. 193-204 ◽  
Author(s):  
P. Luangkiattikhun ◽  
A. Wongkoblap ◽  
D.D. Do

The adsorption of Lennard-Jones fluids (argon and nitrogen) onto a graphitized thermal carbon black surface was studied with a Grand Canonical Monte Carlo Simulation (GCMC). The surface was assumed to be finite in length and composed of three graphene layers. When the GCMC simulation was used to describe adsorption on a graphite surface, an over-prediction of the isotherm was consistently observed in the pressure regions where the first and second layers are formed. To remove this over-prediction, surface mediation was accounted for to reduce the fluid–fluid interaction. Do and co-workers have introduced the so-called surface-mediation damping factor to correct the over-prediction for the case of a graphite surface of infinite extent, and this approach has yielded a good description of the adsorption isotherm. In this paper, the effects of the finite size of the graphene layer on the adsorption isotherm and how these would affect the extent of the surface mediation were studied. It was found that this finite-surface model provides a better description of the experimental data for graphitized thermal carbon black of high surface area (i.e. small crystallite size) while the infinite-surface model describes data for carbon black of very low surface area (i.e. large crystallite size).


1990 ◽  
Vol 30 (9-10) ◽  
pp. 537-542 ◽  
Author(s):  
W. Engewald ◽  
J. Pörschmann ◽  
T. Welsch

Carbon ◽  
2017 ◽  
Vol 118 ◽  
pp. 709-722 ◽  
Author(s):  
Nikom Klomkliang ◽  
Orathai Nantiphar ◽  
Sarita Thakhat ◽  
Toshihide Horikawa ◽  
Kouki Nakashima ◽  
...  

2015 ◽  
Vol 17 (37) ◽  
pp. 24282-24293 ◽  
Author(s):  
V. V. Varfolomeeva ◽  
A. V. Terentev

The present paper discusses the contemporary state of the studies of the weak hydrogen bond contribution to the adsorption of flexible molecules. We formulated the problems which can be solved today only using the NCI method and quantum chemical calculations.


Sign in / Sign up

Export Citation Format

Share Document