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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: P4: Computational Physics of Soft Matter

CPP 32.15: Poster

Dienstag, 17. März 2015, 14:00–16:00, Poster B

About the time dependency of the Van der Waals equation of state — •Peter Friedel — Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Str. 6, 01069 Dresden

The Van der Waals equation is one of the prototypes of the equation of states for realistic systems because of the first time introduction of excluded volume and particle interactions into theoretical considerations. On the other side the simulated annealing (and the similar simulated compressing) approach applies the time dependency to one of the variables of state performing simulations of realistic systems as quasi static state changes. The combination of this time dependency and the VdW-EoS enables a generalization of such considerations up to the simulations of time dependent processes like phase transitions and the obtaining of phase transition kinetics. Simple mathematical deductions starting with the time dependent Van der Waals equation allow the derivation of two so called differential simulated changes of state methods under isobar and isotherm conditions. These new methods enable simulations of crossing phase transition points of hypocritical substances without the danger that the simulations crash because of the achievement of infinite values of the corresponding susceptibility coefficients.