T = 375 K

T = 400 K

T = 425 K

T = 450 K

T = 472 K

 

These are final configurations of two-phase molecular dynamics simulations of Vapor-Liquid Equilibrium of ethanol. (C2H5OH) using the OPLS-AA Potential [1]. The phases have been determined by using our VorMD method [2]. The molecules are colored according to there phase (green = liquid, red = vapor; blue = neither liquid nor vapor) . color legend: green = liquid blue = vapor red = interfacial [1] Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Journal of the American Chemical Society 1996, 118, 11225-11236. [2] Fern, J. T.; Keffer, D. J.; Steele, W. V. Journal of Physical Chemistry, B 2007, 111, 3469-3475.