Phase transitions and quantum effects in pore condensates: A path integral Monte Carlo study

Lennard-Jones condensates in cylindrical pores are studied by path integral Monte Carlo simulations with particular emphasis on phase transitions and quantum effects. The pore diameter effect and the influence of the interaction strength between the cylinder wall and the adsorbate particles on the structures and the location of the phase boundaries is studied and the quantum effect on the phase diagram is quantified by path integral Monte Carlo simulations. In case of strong wall-particle interactions good qualitative agreement with recent experimental results for the freezing of Ar-pore condensates is found. Meniscus structures in the solid phase are obtained as well as unexpected condensate structures for the system with the lighter Ne-particles due to quantum delocalization effects. The quantum effect on the freezing temperature can be as large as 10% in these systems.