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Corrections to standard state in combustion calorimetry: an update and a web-based tool.

ABSTRACT: Combustion calorimetry is the predominant method for determination of enthalpies of formation for organic compounds. Both initial and final states of the calorimeter deviate significantly from the standard conditions. Correction of the obtained results to the standard state must be applied as accurately as possible to determine the combustion energy with an acceptable uncertainty, which is typically a few hundredths of a percent. The correction procedures in their current form were introduced in 1956 with simplifications to allow application in a pre-computer era. In this work, the procedures have been updated with respect to both the equations and reference values. The most reliable data sources are identified, and the updated algorithm is presented in the form of a Web-based tool available through the NIST TRC Web site.

SUBMITTER: Paulechka E

PROVIDER: S-EPMC10405725 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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Corrections to standard state in combustion calorimetry: an update and a web-based tool.

Paulechka Eugene E Riccardi Demian D Bazyleva Ala A Ribeiro da Silva Maria D M C MDMC Zaitsau Dzmitry D

The Journal of chemical thermodynamics 20210701

Combustion calorimetry is the predominant method for determination of enthalpies of formation for organic compounds. Both initial and final states of the calorimeter deviate significantly from the standard conditions. Correction of the obtained results to the standard state must be applied as accurately as possible to determine the combustion energy with an acceptable uncertainty, which is typically a few hundredths of a percent. The correction procedures in their current form were introduced in ...[more]

PMID: 37551334

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