Single Species LJ-Fluids in Slit Micropores
The various ensembles and their associated probability measures studied in the last chapter can be used to simulate the behavior of fluids in porous media when a characteristic dimension of a pore is less than 10 nanometers. Such microporous media commonly occur in nature (e.g., clays or living tissues) and many industrial processes (e.g., processes involving zeolites). In addition, such modern research tools as the atomic-force microscope and the shear forces apparatus () essentially create a micropore and exploit the micropore to study surfaces and vicinal fluids (fluids near surfaces). As a consequence, these devices are also amenable to study via statistical mechanical computer models.
KeywordsMonte Carlo Canonical Ensemble Contact Layer Pore Width Grand Canonical Ensemble
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