Data

MSTDB-TC Ver. 3.0 has been prepared for public release through the code.ornl GitLab repository hosted by Oak Ridge National Laboratory. The repository includes the following files:

• The database .dat files are in standard ChemSage ASCII format and contain all vapor species, compounds and solutions within MSTDB-TC ­for fluoride- and chloride-based systems, each including reciprocal iodide components. Distinct .dat files are provided for fluoride and chloride systems denoted as containing each by use of specific .dat file names.
  • MSTDB-TC Ver. 3 .dat files
    • MSTDB-TC_V3.0_Fluorides_Functions_8-2.dat
    • MSTDB-TC_V3.0_Fluorides_No_Functions_8-2.dat
    • MSTDB-TC_V3.0_Chlorides_No_Functions_8-2.dat
    • MSTDB-TC_V3.0_Chlorides_Functions_8-2.dat
  • The content of each of the fluoride or chloride .dat files is identical, and either is compatible with FactSage^® version 8.2 (and later).
  • Only the .dat files with names containing “Fluorides_Functions” or “Chlorides_Functions” are compatible with FactSage^® version 8.1.
  • Only the .dat file with the name containing “Fluorides_No_Functions” or “Chlorides_No_Functions” are compatible with FactSage^® version 8.0 (or earlier).
• A pair of documents containing all modeled pseudo-binary phase diagrams and pseudo-ternary liquidus projections for the fluoride- and chloride-based systems (with relevant iodides).
• A brief description of what is new and different in Ver. 3 over Ver. 2.
• A document containing notes about specific systems for which the user should be aware.
• A document containing a changelog which lists updates/additions tracing back to Ver.1.2.
• Readme files in the code.ornl readable format for each of the major directories of the repository. These files provide details and explanations for the files within each major directory.

The remaining sections of this document provide the lists of the assessed systems and modeled solutions within the current MSTDB-TC version with reference numbers corresponding to a list of citations that describe the development of the values and models for that system.  Those references are provided in a table at the bottom of this document, and although a number of references are indicated as “in preparation” they are all soon to be completed and will be made available.  Regardless, data and other information related to a system for which a publication is not yet available can be requested and that information will be provided.