Understanding advanced molecular simulation

CH-420

5.4 μVT ensemble

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Description

In this video, we discuss the grand-canonical ensemble, which is an important ensemble as this an ensemble where we do not fix the number of particles. An example of such a system is a porous material in which we are interested in the adsorption isotherm, i.e., for a given temperature and pressure we would like to know the number of adsorbed molecules.