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Simple correlations for calculating NHTPB enthalpy of formation through molecular structures

Hamid Reza Ghaieni (Malek-Ashtar University of Technology, Tehran, Islamic Republic of Iran)
Saeed Tavangar (Faculty of Chemistry and Chemical Engineering, Malek-Ashtar University of Technology, Tehran, Islamic Republic of Iran)
Mohammad Moein Ebrahimzadeh Qhomi (Faculty of Chemistry and Chemical Engineering, Malek-Ashtar University of Technology, Tehran, Islamic Republic of Iran)

Multidiscipline Modeling in Materials and Structures

ISSN: 1573-6105

Article publication date: 23 November 2018

Issue publication date: 7 January 2019

63

Abstract

Purpose

The purpose of this paper is to present simple correlation for calculating nitrated hydroxyl-terminated polybutadiene (NHTPB) enthalpy of formation.

Design/methodology/approach

It uses multiple linear regression methods.

Findings

The proposed correlation has determination coefficient 0.96. The correlation has root mean square deviation and the average absolute deviations values 53.4 and 46.1 respectively.

Originality/value

The predictive power of correlation is checked by cross-validation method (R2=0.96, Q L O O 2 = 0.96 ).

Keywords

Acknowledgements

The authors gratefully acknowledge Dr Narges Zohari and Sahar Soltani for their help in this project.

Citation

Ghaieni, H.R., Tavangar, S. and Ebrahimzadeh Qhomi, M.M. (2019), "Simple correlations for calculating NHTPB enthalpy of formation through molecular structures", Multidiscipline Modeling in Materials and Structures, Vol. 15 No. 1, pp. 258-264. https://doi.org/10.1108/MMMS-04-2018-0074

Publisher

:

Emerald Publishing Limited

Copyright © 2019, Emerald Publishing Limited

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