Positive displacement machines have been identified as appropriate expanders for small-scale power generation systems such as Organic Rankine Cycles (ORCs). Screw expanders can operate with good efficiency in working fluids under both dry and two-phase conditions. Detailed understanding of the fluid expansion process is required to optimise the machine design and operation for specific applications, and accurate design tools are therefore essential. Using experimental data for air expansion, both CFD and chamber models have been applied to investigate the influence of port flow and leakage on the expansion process. Both models are shown to predict pressure variation and power output with good accuracy. The validated chamber model is then used to identify the optimal volume ratio and rotational speed for experimental conditions.