A novel application of kinetic Monte Carlo method in the description of N2 vapour-liquid equilibria and adsorption
We present a novel application of kinetic Monte Carlo (k. MC) to describe vapour-liquid equilibria (VLE), vapour-solid equilibria (VSE) and adsorption of nitrogen on a flat graphite surface and in graphitic slit pores. This method is applied, for the first time, to molecules having Lennard-Jones sit...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Pergamon
2013
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| Online Access: | http://hdl.handle.net/20.500.11937/55465 |