The study focuses on the simulation of a novel Air-Based Photovoltaic Thermal (PVT) prototype, experimentally investigated according to ISO 9806, specifically for collectors generating thermal and electrical energy. Experimental studies are carried out to validate a benchmark Computational Fluid Dynamics (CFD) simulation model in a previous study. The same setup shall be used to explore new thermal enhancement designs of the prototype. The aim of the model is on the one hand to assess the thermal performance enhancement of multiple newly developed inserts/baffles. The results indicate the optimal design selections for next-step experimental prototypes. The secondary objective is to assess the feasibilities of the PVT prototype for operational characteristics at different climate conditions. Insights are provided regarding the reliability, workflow and overall methodology of validating CFD models by testing through an international standardized process. Outlines for system-level modelling are presented as well.