The revision defines in more details than before the scope of the Thermo SIG, specifically the interface specifications the SIG is responsible for. Key responsibilities are slightly more detailed than in previous versions of the charter. Deliverables for 2021-2022 have been updated to reflect current work underway within the SIG.
Thermo SIG is responsible for the following interface specifications:
- Thermodynamics and Physical Properties interface specification v1.0 (deprecated)
- Thermodynamics and Physical Properties interface specification v1.1 (active)
- Chemical Reactions interface specification v1.1 (under development)
- Custom Data interface specification v1.1 (active)
- Compound Server interface specification (draft only)
and related documents, files, tools, software, and procedures.
- Maintain and manage active interface specifications (revisions to improve design, performance/speed and robustness based on user input)
- Provide errata and clarifications and integrate in current specification
- Assess and prioritize on expansions of thermodynamic interface specifications
- Help member organizations to develop implementations of thermodynamic interfaces
- Provide advice on migrating from deprecated to active interface versions
- Provide advice on new implementations
- Analyze interoperability issues between PME and PMCs
- Define compliancy tests for thermodynamic interface specifications
Deliverables for 2021-2022:
- Certification support: define tests
- Maintain and manage existing thermodynamic interface specifications
- Manager Common Interface proposal
- Draft initial proposal
- Hand over to Methods & Tools SIG for finalization
- Publish Chemical Reaction Specification interface
- Act on comments received from the RFC process, publish IDL, disseminate
Sergej BLAGOV (BASF) and Jasper van BATEN (AmsterCHEM) remain as leaders of the Thermo SIG. Bjørn MARIBO-MOGENSEN (Hafnium Labs), Richard SZCZEPANSKI (KBC), Klaus MÖLLER (University of Cape Town) and Mark STINJMAN (Shell) are members of the Thermo SIG.
Till end of April 2022, Thermo SIG has focused its work on answering the comments made by reviewers of the current draft of the Chemical Reactions interface specification. Since beginning of May, Thermo SIG is working on the textual specification of the Manager Common Interface.