Thermodynamic properties and phase transitions in CO2 molecular clusters

Abstract

The thermodynamic properties of (CO2) N molecular aggregates of size 2 ⩽ N ⩽ 13 have been investigated. These crystallites exhibit well defined orientational order–disorder rotational transitions accompanied by a structural transition into a plastic crystallite phase. In addition, they exhibit melting and disassociation transitions. It is shown that the interpretation of experimental data, based upon dimer properties, depends crucially on these results. Equilibrium structures and orientations are also given.