Monte Carlo Simulation of Microemulsion Phase Transitions by Solvent Accessible Surface Area

Results of lattice Monte Carlo simulation are presented for the behavior of a mixture of oil-water-amphiphile in different conditions. For the first time, the phase transitions between different types of microemulsion are modeled, in a qualitative manner, using the concept of solvent accessible surface area. All of the simulations are run in canonical (N, V, T) ensemble. Simple cubic lattices with the dimension of 50 have been used to avoid any size or surface effects of the boxes. Periodic boundary conditions and ex-cluded volumes are used to mimic the box of simulation as a bulk of solution. All of the results are in good qualitative agreement with previous theoretical and experimental results