Extension of ThermoML–The IUPAC Standard for Thermodynamic Data Communications
Extension of ThermoML–The IUPAC Standard for Thermodynamic Data Communications
This project is an extension of project 2002-055-3-024, XML-Based IUPAC Standard for Experimental and Critically Evaluated Thermodynamic Property Data Storage and Capture, which was successfully completed in 2006. From that project, a new XML-based IUPAC standard (ThermoML) was established for thermodynamic data communications (Pure Appl. Chem., 2006, 78, 541-612). Initially, ThermoML provided support of communications for experimental, critically evaluated, and predicted data for thermodynamic properties of pure and multi-component mixtures of molecular compounds with comprehensive representation of uncertainties (J. Chem. Eng. Data, 2003, 48, 2-13; 2003, 48, 1344-1359; and 2004, 49, 160-174). Prior to the standard release, enhancements for aqueous electrolyte solutions and ionic liquids were included. The current project will broaden the scope of ThermoML to support storage and exchange of thermodynamic property data for speciation and complex equilibria in aqueous and non-aqueous solvents, and thermodynamic properties of biomaterials.
For more information and comments, please contact the Task Group Chair Michael Frenkel <frenkel@boulder.nist.gov>.
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Articles in the same Issue
- Masthead
- Contents
- Adding a Stone to the IUPAC Edifice
- Spain Celebrates Its Year of Science Honoring Mendeleev
- Where Does IUPAC Stand with Regard to this Discipline?
- Triads, Triads, Everywhere
- Chemistry in the Information and Communications Technology Age
- Analytical Terminology and the Orange Book–The Resources at the End of the Rainbow
- Peter Mahaffy Awarded 3M Canada Teaching Fellowship
- Pieter S. Steyn Receives Science for Society Gold Medal
- Chemical Heritage Foundation Produces Distillations, a Weekly Podcast
- Mechanistic Aspects of Chemical Vapor Generation of Volatile Hydrides for Trace Element Determination
- Assessment of Theoretical Methods for the Study of Reactions Involving Global Warming Gas Species Degradation and Byproduct Formation
- Analysis of the Usage of Nanoscience and Technology in Chemistry
- Extension of ThermoML–The IUPAC Standard for Thermodynamic Data Communications
- Provisional Recommendations
- Further Conventions for NMR Shielding and Chemical Shifts (IUPAC Recommendations 2008)
- Transport of Pesticides via Macropores (IUPAC Technical Report)
- Performance Evaluation Criteria for Preparation and Measurement of Macro- and Microfabricated Ion-Selective Electrodes (IUPAC Technical Report)
- Chemists and “The Public”: IUPAC’s Role in Achieving Mutual Understanding (IUPAC Technical Report)
- DE STERS!
- Glossary of Terms Related to Solubility (IUPAC Recommendations 2008)
- Structure-Based Nomenclature for Cyclic Organic Macromolecules (IUPAC Recommendations 2008)
- Impact of Scientific Developments on the Chemical Weapons Convention (IUPAC Technical Report)
- Graphical Representation Standards for Chemical Structure Diagrams (IUPAC Recommendations 2008)
- The Periodic Table: Database or XML?
- The Investigation of Organic Reactions and their Mechanisms
- Modern Physical Chemistry for Advanced Materials
- Physical Organic Chemistry in Latin America
- Infrared Spectroscopy Applied to Biological and Biomimetic Systems
- Malta III–Research and Education in the Middle East
- The Future of Science Is through Its Students
- Physical Organic Chemistry
- Safe Food
- Macro- and Supra-Molecular Architectures and Materials
- Challenges in Organic and Bioorganic Chemistry
- Nano-Bio & Clean Tech
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- Mark Your Calendar
