articleThe Journal of Physical Chemistry AOct 15, 2004Closed access

Introduction to Active Thermochemical Tables:  Several “Key” Enthalpies of Formation Revisited

Argonne National Laboratory

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Abstract

The concept behind active thermochemical tables (ATcT) is presented. As opposed to traditional sequential thermochemistry, ATcT provides reliable, accurate, and internally consistent thermochemistry by utilizing the thermochemical network (TN) approach. This involves, inter alia, a statistical analysis of thermochemically relevant determinations that define the TN, made possible by redundancies in the TN, such as competing measurements and alternate network pathways that interrelate the various chemical species. The statistical analysis produces a self-consistent TN, from which the optimal thermochemical values are obtained by simultaneous solution in error-weighted space, thus allowing optimal use of all of…

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Authors

9

Topics & keywords

Keywords
  • Thermochemistry
  • Thermochemical cycle
  • Key (lock)
  • Computer science
  • Chemical space
  • Standard enthalpy of formation
  • Chemistry
  • Biological system
UN Sustainable Development Goals
  • Life in Land
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