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

• المؤلفون الرئيسيون: Buerger, Philipp, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
• مؤلفون آخرون: School of Chemical and Biomedical Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2018
• الموضوعات: Enthalpy of Formation; Heat of Formation
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/87228; http://hdl.handle.net/10220/45351
• المؤسسة: 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...