Mesoscopic simulation of non-ideal fluids with self-tuning of the equation of state

A dynamic optimization strategy is presented to generate customized equations of state (EOS) for the numerical simulation of non-ideal fluids at high density ratio. While stable branches of the analytical EOS are preserved, the spinodal region is self-tuned during the simulation, in order to compensate for numerical errors caused by discretization in phase space. ∗Dept. of Chemical Engineering, Princeton University, Princeton, NJ 08544, USA; E-mail: [email protected]; †Department of Technologies, University of Naples Parthenope, Naples, Italy; E-mail: [email protected]; ‡Department of Technologies, University of Naples Parthenope, Naples, Italy; E-mail: [email protected]; §Istituto per le Applicazioni del Calcolo, IAC-CNR, Rome, Italy; E-mail: [email protected]; corresponding author. 1 Electronic Supplementary Material (ESI) for Soft Matter This journal is © The Royal Society of Chemistry 2012