Chemical Potential Perturbation: A Method to Predict Chemical Potential Using Molecular Simulations
A new method, called chemical potential perturbation (CPP), has been developed to predict the chemical potential as a function of composition in molecular simulations. The CPP method applies a spatially varying external potential to the simulation, causing the composition to depend upon position in...
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| Format: | Others |
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BYU ScholarsArchive
2012
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| Online Access: | https://scholarsarchive.byu.edu/etd/3248 https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=4247&context=etd |