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Pan, Y., Jiang, J.C., Wang, R. and Jiang, J.J. (2011) Predicting the Net Heat of Combustion of Organic Compounds from Molecular Structures Based on Ant Colony Optimization. Journal of Loss Prevention in the Process Industries, 24, 85-89.
https://doi.org/10.1016/j.jlp.2010.11.001

has been cited by the following article:

• TITLE: Experimental Enthalpies of Combustion of Organic Materials and The Correlation with Total Number of Bonds, Their Molecular Surface and Volume Properties

  AUTHORS: Amanda C. Vitello, Howard Mettee, Ganesaratnam K. Balendiran

  KEYWORDS: Combustion Energy, Material Matters, Bomb Calorimeter, Fibrate, Enthalpy Change, Heat, Internal Energy, Bonds, Molecular Properties

  JOURNAL NAME: Journal of Materials Science and Chemical Engineering, Vol.13 No.7, July 31, 2025

  ABSTRACT: Experimentally determined heats of combustion of 21 random diverse organic materials are measured using traditional oxygen bomb calorimetry, as internal energy difference, ΔU, and enthalpy change, ΔH, reveal trends that correlate with their molecular properties which are calculated from the crystal structures. The R2 values between ΔH and total number of covalent bonds, vdW volume, molecular volume, vdW surface area, molecular surface area, solvent accessible surface area and molecular weight are 0.95, 0.91, 0.91, 0.89, 0.87, 0.85 and 0.79, respectively. Oxygen content of the substances increases, rise of ΔH reflected whereas this pattern breaks down when another element is introduced instead. The linear correlations between ΔU, ΔH and the structure based molecular properties at molecule level described above are not limited, restricted or deviated by the type of elements, H, C, N, O, Cl that make up the materials or molecular class of substance.