Liquid-vapour coexistence line and percolation line of rose water model

Monte Carlo simulations and Wertheim’s thermodynamic perturbation theory (TPT) are used to predict the phase diagram percolation curve for simple two-dimensional rose model of water. In water, water molecules modelled as Lennard-Jones disks, with additional potentials orientation dependent pairwise interactions that mimic formation hydrogen bonds. Modifying both shape range a 3-petal function, it was constructed an efficient dynamical 2D Mercedes Benz (MB) experimental The liquid part space is explored using grand canonical two versions TPT associative fluids. We find reproduces well physical properties hot but less successful at capturing more structured bonding occurs in cold addition reporting model, shown improved predicts rather well, while standard one transition lower temperatures. For line, have problems predicting correct position line high