Development of equations for differential and integral enthalpy change of adsorption for simulation studies
We present equations to calculate the differential and integral enthalpy changes of adsorption for their use in Monte Carlo simulation. Adsorption of a system of N molecules, subject to an external potential energy, is viewed as one of transferring these molecules from a reference gas phase (state 1...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/55270 |