On the Application of Widom's Test Particle Method to Homogeneous and Inhomogeneous Fluids

摘要: Abstract Chemical potentials of a homogeneous and an inhomogeneous Lennard-Jones fluid have been determined by molecular dynamics simulations on the vector computer CYBER 205 applying essentially fictitious test particle method Widom. For we find, contrary to previous result Guillot Guissani, that simulated chemical potential is independent number. The crucial point, however, sufficiently large cut-off radius in evaluation Boltzmann factor. Comparing with our WCA-type perturbation theory, get agreement within 0.1 kT up density n[sgrave]3 = 0.80 difference 0.2 at 0.85. case consider cylindrical pore integrate Widom's equation over certain probe volume as suggested earlier us. are then calculated independently five different volumes, which shells. results agree well from the...