<p>There is robust industrial demand for thermodynamic and thermophysical property data for chemical substances and materials. Unresolved inconsistencies and unexplained anomalies in the data are frequently revealed by data users. Inconsistency appears when either multiple measurements significantly deviate from each other beyond reasonable uncertainties or different reported properties do not obey thermodynamic relations between them. Anomaly here means a reported value or behavior significantly deviating from expectation based on theory or correlation. To address such issues, we have launched the new Thermodynamics Research Center (TRC) Research Challenge Search website. The goals of this service are to encourage researchers to address these problems, identify the need for additional theoretical and experimental development, support the justification of related research proposals, and ultimately provide users with reliable data. This publication provides an overview of the service, presents the current collection of cases, and describes the procedures for user feedback and contribution.</p>

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Challenges and Research Opportunities in Chemical Thermodynamics, Thermophysics, and Materials Property Science

  • Vladimir Diky,
  • Tausif Altamash,
  • Marc J. Assael,
  • Ala Bazyleva,
  • Ralf Dohrn,
  • Peter Dvorak,
  • José M. S. Fonseca,
  • Johan Jacquemin,
  • Georgios M. Kontogeorgis,
  • Jörg Krafczyk,
  • Herbert Loria,
  • Demian Riccardi,
  • Bastian Schmid,
  • Vojtěch Štejfa,
  • Jadran Vrabec,
  • Thorsten Windmann

摘要

There is robust industrial demand for thermodynamic and thermophysical property data for chemical substances and materials. Unresolved inconsistencies and unexplained anomalies in the data are frequently revealed by data users. Inconsistency appears when either multiple measurements significantly deviate from each other beyond reasonable uncertainties or different reported properties do not obey thermodynamic relations between them. Anomaly here means a reported value or behavior significantly deviating from expectation based on theory or correlation. To address such issues, we have launched the new Thermodynamics Research Center (TRC) Research Challenge Search website. The goals of this service are to encourage researchers to address these problems, identify the need for additional theoretical and experimental development, support the justification of related research proposals, and ultimately provide users with reliable data. This publication provides an overview of the service, presents the current collection of cases, and describes the procedures for user feedback and contribution.