Molecular dynamics simulation of bubble nucleation in two-component Lennard-Jones solutions
VG Baidakov and VM Bryukhanov, CHEMICAL PHYSICS LETTERS, 713, 85-90 (2018).
We present the results of molecular dynamics (MD) studying of bubble nucleation in binary Lennard-Jones (LJ) solutions modelling a methane- nitrogen system. The mean lifetime method is used in systems containing 12000-1024000 LJ particles at temperatures T * = k(B)T/epsilon(11) = 0.85, 1.0 and 1.1 to determine the dependence of the nucleation rate J on the pressure and concentration of a solution. The results of simulation are compared with classical nucleation theory (CNT). The effect of the size of a critical bubble and its composition on the value of surface tension is discussed.
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