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Thermochemical Databases and Models for High-Temperature Materials Processing, Combustion, and Corrosion


A new database designed to provide thermochemistry for gas-phase and condensed species relevant to a wide range of high-temperature processes, including chemical vapor deposition (CVD), chemical vapor infiltration (CVI), catalysis, combustion, materials corrosion, and aerosol processing.

The database includes thermodynamic data (heats of formation, enthalpies, entropies, and heat capacities) for gas and condensed-phase species, thermodynamic models for specific condensed-phase material systems that account for non-ideal behavior in those systems, and a wide range of calculated molecular properties for gas-phase species (vibrational frequencies, moments of inertia, etc.).