Activated carbon immersed in water—the origin of linearcorrelation between enthalpy of immersion and oxygencontent studied by molecular dynamics simulation
First Molecular Dynamics simulation results of activated carbon immersion in water are reported. Using a Virtual Porous Carbon Model of ‘‘soft’’ carbon the influence of surface oxygen content, distribution of groups and micropore diameter on the enthalpy of immersion is studied. The empirical relati...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Royal Society of Chemistry
2010
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| Online Access: | http://hdl.handle.net/20.500.11937/6410 |