As Carbon Capture, Transportation, and Storage (CCTS) systems expand toward commercial-scale deployment, the need to understand materials performance in CO₂-rich environments has never been more critical. OLI’s advancements in electrolyte thermodynamics and corrosion modeling offer a comprehensive framework for evaluating material degradation, corrosion risks, and long-term reliability across CO₂ transport pipelines and saline aquifer injection systems. This work presents an integrated overview of OLI’s contributions to CCTUS, highlighting how predictive modeling strengthens materials selection, corrosion mitigation strategies, and lifecycle risk assessment. At the core of this study is OLI’s rigorous thermodynamic framework and its extensive chemistry database. The OLI database captures key reactions relevant to the transportation of CO₂ streams containing impurities such as SOx, NOx, H₂S, H₂O, and others. This framework enables accurate prediction of phase behavior in CO₂ streams, potential acid dropout, and—during injection—the aqueous speciation of formation brines. These capabilities provide deeper insight into degradation mechanisms, including acid formation, localized corrosion, and film instability under varying temperature, pressure, and salinity conditions. Building on this foundation, OLI’s Corrosion Analyzer integrates electrochemical kinetics with thermodynamic consistency to predict corrosion rates for a wide range of corrosion-resistant alloys—such as 13Cr/S13Cr/S15Cr/S17Cr, and nickel-based alloys—commonly used in CO₂ injection systems. Case studies from pipeline transport to deep-well injection illustrate how modeling complements laboratory protocols and field-scale observations, providing a quantitative basis for materials compatibility screening, risk mitigation, and asset integrity management. By uniting thermodynamics, corrosion science, and system-level analysis, this contribution demonstrates how predictive modeling can support scalable, cost-effective, and environmentally sustainable CCTS deployment.