Peng–Robinson Parameter Database (C1–C10, H₂O, CO₂, NH₃, CH₄)

The Peng–Robinson Equation of State (PR-EOS) is a cubic EOS widely adopted in chemical engineering for its accuracy in predicting vapor–liquid equilibrium (VLE), phase densities, enthalpies, and compressibility factors—especially for nonpolar and moderately polar substances. Its predictive capability hinges on three pure-component input parameters: critical temperature (Tc), critical pressure (Pc), and acentric factor (ω), from which the temperature-dependent attraction parameter 'a', co-volume 'b', and correction function 'α(T)' are calculated. The database compiles rigorously validated, experimentally consistent Tc, Pc, and ω values—often sourced from NIST Chemistry WebBook, DIPPR®, or peer-reviewed literature—for 15 key compounds (methane through decane, plus H₂O, CO₂, NH₃, and CH₄). These parameters enable consistent initialization and calibration of thermodynamic packages in process simulators (e.g., Aspen HYSYS, ChemCAD, PRO/II) and serve as foundational inputs for property estimation, flash calculations, and equation-of-state-based property packages like PR-BM, PR-WS, or PR-MHV2. Because minor inconsistencies in critical properties propagate into significant errors in phase envelope predictions—especially near critical points or for asymmetric mixtures—the database emphasizes traceability, uncertainty awareness, and recommended primary sources for each entry.