Understanding the Influence of Pore Heterogeneity on Water Adsorption in Realistic Molecular Models of Activated Carbons

Authors :: S. K. Jain
Xuan Peng
Source :: The Journal of Physical Chemistry C. 122:28702-28711
Publication Year :: 2018
Publisher :: American Chemical Society (ACS), 2018.
Abstract: Grand canonical Monte Carlo simulations are performed to study the adsorption of water at 300 K in realistic molecular models of three activated carbon samples, namely, CS400, CS1000, and CS1000a. ...

Subjects :: Materials science
Molecular model
Thermodynamics
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
General Energy
Adsorption
medicine
Physical and Theoretical Chemistry
0210 nano-technology
Activated carbon
medicine.drug
Grand canonical monte carlo

Tools