Abstract
A new model is suggested for the heterogeneous surfaces of nongraphitized carbon adsorbents. It may be called the rumpled graphite basal plane (RGBP). The atomic structure of RGBP can be obtained by squeezing a graphite basal plane in a molecular dynamics computer simulation under a random distribution of initial atomic velocities. The empirical Tersoff potential describes the carbon–carbon interactions. The degree of squeezing is chosen to reproduce the main features of the x-ray interference function of nongraphitized carbon blacks. Grand canonical ensemble Monte Carlo simulation of the isotherms of adsorption of N2 on RGBP reproduce experimental isotherms on these carbon blacks reasonably well, especially in the BET region of relative pressures.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
