MOLTSA: An R Shiny Platform for Molten-Salt Thermochemical Data Management, Analysis, and Assessment

MOLTSA (a portmanteau of molten salt) is an R-based, browser-accessible software platform for molten salt thermodynamics that integrates data access, visualization, and model evaluation to support thermochemical assessments. It renders experimental literature data alongside modeled phase equilibria and enthalpies of mixing, with extensible support for additional properties. Core modules enable FAIR-aligned data contribution, 3D visualization of ternary and pseudo-ternary phase equilibria, retrieval of optimizer input files, computation of the ionic size-difference parameter δ12, fitting of Maier–Kelley heat-capacity functions, and processing of raw differential scanning calorimetry (DSC) data with calibration and uncertainty estimation. By unifying these capabilities in a single interactive environment, MOLTSA streamlines thermochemical database development, improves transparency and reproducibility, and reduces the time from experiment to validated thermodynamic models.