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DOE OSTI · 1880940

M4SF-22LL010301052-SUPCRTNE Thermodynamic Database Integration

Wolery, T.
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Abstract

This progress report (Level 4 Milestone Number M4SF-22LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number SF-22LL01030105. SUPCRTNE (starting with v. 1.0) is being developed as the primary engine for future thermodynamic database development. It replaces SUPCRT92 (Johnson et al., 1992), which was earlier used on the Yucca Mountain Project (Wolery and Jove-Colon, 2007). Various changes to SUPCRT92 were and are presently being made. A major change is replacing the original water properties module H2O92D. For this, we have developed a modularized form of the program H2OI95. H2OI95 (Wolery, 2018, 2020) evaluates a newer equation of state for water (IAPWS-95, (Wagner and Pruß, 2002)) that is the present international standard. Thermochemical properties including Gibbs energy, enthalpy, and entropy are now tied to the CODATA standard (Cox et al., 1989).

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Wolery, T.. 2022-07-29. M4SF-22LL010301052-SUPCRTNE Thermodynamic Database Integration. https://doi.org/10.2172/1880940

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