A systematic method to estimate and validate enthalpies of formation using error-cancelling balanced reactions

• Main Authors: Buerger, Philipp, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2018
• Subjects: Enthalpy of Formation; Heat of Formation
• Online Access: https://hdl.handle.net/10356/87228; http://hdl.handle.net/10220/45351
• Institution: Nanyang Technological University

This paper presents an automated framework that uses overlapping subsets of reference data to systematically derive an informed estimate of the standard enthalpy of formation of chemical species and assess the consistency of the reference data. The theory of error-cancelling balanced reactions (EBRs...