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Thermodynamics Research Center

TRC supplies industry and academia with critically evaluated property data, complete with provenance and uncertainty, to inform manufacturing, public health and safety, and research.

Welcome to the Thermodynamics Research center (TRC)

Our group has been evaluating, curating, and facilitating collaborating in the thermophysical property community for the past 75 years.

We maintain a great number of periodical compilations and electronic databases that have become source data for scientific research  and industrial process design.  Our databases have covered  thermophysical and some transport properties of organic systems.  Recently we have begun working with the Materials Genome Initiative to expand our databases and data curation systems to  metallic systems to in an effort to facilitate industrial modelling and alloy development cycles.  We provide critically evaluated, structured data--including well defined compositions and uncertainties for experimental data--for pure compounds, binary mixtures, ternary mixtures, and chemical reactions through our variety of dynamic databases.  Our work integrates with the Fluid Characterization Group (which produces high quality measurements over a wide range of temperature, pressure, and compositions )and Theory of Modeling of Fluids group (which develops thermodynamic and transport property models for fluid properties).

The Thermodynamics Research Center performs several functions related to providing state-of-the-art thermodynamic data:

  • Compiles and evaluates experimental data
  • Develops tools and standards for archival and dissemination of thermodynamic data, especially critically evaluated data
    • Explore TRC's critically evaluated thermophysical properties for small molecular organics here (using WTT lite) and here (using WTT Pro)
    • Explore our metallic data expansion here
  • Develops electronic database products
    • Databases maintained by TRC include:
    • Experimental Planning tools developed by TRC include:
      • ThermoPlan --Compare planned measurements vs. prior literature -- Verify the impact of your research
      • ThermoLit  -- Search the experimental literature for thermophysical and thermochemical properties of pure, binary, and ternary systems, and download/archive results in a pdf.
  • Maintains a web-repository of published data in the ThermoML Archives, stored in  ThermoML  — an XML format developed by TRC for the representation of thermodynamic data.

Visit our staff page or see the History of TRC or  see the Past TRC directors pages.

News and Updates

Consortium Workshop Highlights TRC Advances

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Our 2018 NIST/TRC Consortium Workshop has drawn to a close; the consortium is hosted by the Thermodynamics Research Center within Boulder’s Applied Chemicals

Projects and Programs

Artificial Intelligence for Chemical Manufacturing

Ongoing
The chemical manufacturing design process relies heavily on the recommended values that engineers and researchers usually obtain from handbooks and databases. Those sources often lack easy ways to judge the reliability of information, either in the sense of where the data come from or what the

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing
We have a number of opportunities to collaborate with us. See below for details. What does this project aim to do for the chemical industry? Many industrial processes depend on the intermolecular environment- the solvents and ions that surround a molecule. These interactions impact separations

Publications

Composing Homologous Series on Demand

Author(s)
Vladimir Diky, Ala Bazyleva, Andrei F. Kazakov, Angela Li
Compound families or homologous series are frequently used for analysis and prediction of properties of chemical substances. A simple method is proposed for

Software

ThermoML Updater

PURPOSE A tool for updating ThermoML files to the latest version of the ThermoML standard. Use The application is straightforward to use. It provides a self

ThermoML Opener

Purpose A tool for direct viewing of ThermoML files which include data and metadata. ThermoML files conform to the new XML-based ThermoML IUPAC standard

Awards

Contacts