| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380617 | Chemical Physics Letters | 2014 | 5 Pages |
Abstract
- We extend the 'Small System Method' for CO2 gas on a graphite surface.
- Chemical potential, activity coefficient and enthalpy of CO2 (ads) are obtained from molecular dynamics simulations.
- Two distinct layers of CO2 are in equilibrium.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
T.T. Trinh, D. Bedeaux, J.-M. Simon, S. Kjelstrup,