0000000000515032
AUTHOR
L. González Macdowell
Interface and Surface Properties of Short Polymers in Solution: Monte Carlo Simulations and Self-Consistent Field Theory
We investigate the structure and thermodynamics of inhomogeneous polymer solutions in the framework of a coarse-grained off-lattice model. Properties of the liquidvapor interface and the packing of...
How Do Droplets Depend on the System Size? Droplet Condensation and Nucleation in Small Simulation Cells
Using large scale grandcanonical Monte Carlo simulations in junction with a multicanonical reweighting scheme we investigate the liquid-vapor transition of a Lennard—Jones fluid. Particular attention is focused on the free energy of droplets and the transition between different system configurations as the system tunnels between the vapor and the liquid state as a function of system size. The results highlight the finite size dependence of droplet properties in the canonical ensemble and free energy barriers along the path from the vapor to the liquid in the grandcanonical ensemble.