title: Monte Carlo simulation of osmotic equilibria.
abstract: We present a Metropolis Monte Carlo simulation algorithm for the Tpπ-ensemble, where T is the temperature, p is the overall external pressure, and π is the osmotic pressure across the membrane. The algorithm, which can be applied to small molecules or sorption of small molecules in polymer networks, is tested for the case of Lennard-Jones interactions.
authors: Fachbereich Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany.
authors: Sebastian
authors: S
authors: Schreiber
authors: Reinhard
authors: R
authors: Hentschke