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Over the last decade, Computational Fluid Dynamics (CFD) has been increasingly applied for the design and analysis of positive displacement machines employed in vapor compression and power generation applications. Particularly, single-screw and twin-screw machines have received attention from the researchers, leading to the development and application of increasingly efficient techniques for their numerical simulation. Modeling the operation of such machines including the dynamics of the compression (or expansion) process and the deforming working chambers is particularly challenging. The relative motion of the rotors and the variation of the gaps during machine operation are a few of the major numerical challenges towards the implementation of reliable CFD models. Moreover, evaluating the thermophysical properties of real gases represents an additional challenge to be addressed. Special care must be given to defining equation of states or generating tables and computing the thermodynamic properties. Among several CFD suite available, the open-source OpenFOAM tool OpenFOAM, is regarded as a reliable and accurate software for carrying out CFD analyses. In this paper, the dynamic meshing techniques available within the software as well as new libraries implemented for expanding the functionalities of the software are presented. The simulation of both a single-screw and a twin-screw machine is described and results are discussed. Specifically, for the single-screw expander case, the geometry will be released as open-access for the entire community. Besides, the real gas modeling possibilities implemented in the software will be described and the CoolProp thermophysical library integration will be presented.