Molecular simulation of the wetting of selected solvents on sand and clay surfaces
Molecular dynamics simulation and density functional theory were applied to calculate heats of immersion (Himm) of n-heptane, toluene, pyridine and water on two model sand surfaces and two model clay surfaces. Our results indicated that water showed the highest Himm for the model clay surfaces when...
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| Format: | Others |
| Language: | en_US |
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2009
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| Online Access: | http://hdl.handle.net/10048/844 |