The paper presents a simulation-based approach for optimizing CO2 injection into depleted gas reservoirs, with the goal of enhancing underground CO2 storage. The research employs a two-dimensional dynamic reservoir model, developed using Darcy’s law, to describe gas flow in a pressure-homogeneous porous medium, along with real gas equations. The model integrates the Du Fort–Frenkel and finite-difference methods to accurately simulate the behavior of CO2 during injection and storage. Real data from an operational gas storage facility were used to calibrate the model. CO2sim v1 software, specifically developed for this purpose, simulates CO2 injection cycles and quiescence phases, enabling the optimization of storage capacity and energy efficiency. The reservoir model, based on the engineering of the geological structure, is discretized into approximately 16,000 cells and solved using the finite-difference method, allowing for rapid simulation of CO2 injection and quiescence processes. The average computation time for a 150-day cycle is approximately 5 min. Simulation results indicate that increasing the number of injection wells and carefully controlling the injection rates significantly improves the distribution of CO2 within the reservoir, thereby enhancing storage efficiency. Additionally, appropriate well placement and prolonged quiescence periods lead to better CO2 dispersion, increasing the storage potential while reducing energy costs. The study concludes that further development of the software, along with comprehensive technical and economic assessments, is required to fully optimize CO2 storage on a commercial scale.