Table 1
Selected software and databases for thermodynamic properties.
| NAME | PROGRAMMING | REF. | LICENSE |
|---|---|---|---|
| Cantera | C++/Fortran/Python | [18] | BSD |
| DDB | [49] | commercial | |
| MSTDB-TP | C++ | [63] | copyrighted/license-free |
| NIST alloy data | web-based | [70] | public domain |
| NIST Molten Salts Database | [29] | commercial | |
| PYroMat | Python | [40] | GNU GPL v3.0 |
| pyThermoML | Python | [19] | BSD |
| REFPROP | Fortran | [37] | commercial |
| Thermo | Python | [2] | MIT |
| ThermoData Engine | C++ | [13] | commercial |
| ThermoFun | C++/Python | [43] | LGPL |
| ThermoML | XML/JSON | [55] | open |
| TPDS-web | web-based | [45, 72] | copyrighted/free of charge |
Figure 1
Modified snippet from the metals.yml database file showing sodium properties.
Figure 2
Flowchart for Yamdb showing the essential steps for creating a property and mixture object respectively.
Figure 3
Script-generated report on the thermophysical properties of Li at 800 K using Goma (shortened). Formatting and bibliography require pandoc and LaTeX.
Figure 4
Sodium density according to correlation equations from Yamdb (solid lines) compared to experimental data provided via the NIST Alloy data web application [70, 53, 71]. The original data are from Davies (1972) [9], Khairulin et al. (2013) [34], Ruppersberg and Jost (1989) [56], and Taovo et al. (2009) [62].
Figure 5
Surface tension of CaCl2-NaCl mixtures versus composition for different temperatures adapted from [1]. Correlation expressions (dotted and dashed lines) from Yamdb compared to measured data by Addison, Coldrey [1] (dots and solid lines). Dotted lines result from evaluating the equations by [30] and dashed lines from those of [28]. As expected, the latter are identical to the values by [32].
