Diamond is a promising material whose excellent physical properties foster its use for radiation detection applications, in particular in those hostile operating environments where the silicon-based detectors behavior is limited due to the high radiation fluence. Within this framework, the application of Technology Computer Aided Design (TCAD) simulation tools is highly envisaged for the study, the optimization and the predictive analysis of sensing devices. Since the novelty of using diamond in electronics, this material is not included in the library of commercial, state-of-the-art TCAD software tools. In this work, we propose the development, the application and the validation of numerical models to simulate the electrical behavior of polycrystalline (pc) CVD diamond conceived for diamond sensors for particle detection. The model focuses on the characterization of a physically-based pcCVD diamond bandgap taking into account deep-level defects acting as recombination centers and/or trap states. While a definite picture of the polycrystalline diamond band-gap is still debated, the effect of the main parameters (e.g. trap densities, capture cross-sections, etc.) can be deeply investigated thanks to the simulated approach. The charge collection efficiency due to beta-particle irradiation of diamond materials provided by different vendors and with different electrode configurations has been selected as figure of merit for the model validation. The good agreement between measurements and simulation findings, keeping the traps density as the only one fitting parameter, assesses the suitability of the TCAD modeling approach as a predictive tool for the design and the optimization of diamond-based radiation detectors.