Simple correlations for calculating NHTPB enthalpy of formation through molecular structures
| Autor: | Mohammad Moein Ebrahimzadeh Qhomi, Saeed Tavangar, Hamid Reza Ghaieni |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Quantitative structure–activity relationship
010405 organic chemistry Mechanical Engineering Thermodynamics Value (computer science) 010402 general chemistry 01 natural sciences 0104 chemical sciences Correlation Mechanics of Materials Simple (abstract algebra) Modeling and Simulation Linear regression General Materials Science Standard enthalpy change of formation Root-mean-square deviation Simple correlation Mathematics |
| Zdroj: | Multidiscipline Modeling in Materials and Structures. 15:258-264 |
| ISSN: | 1573-6105 |
| DOI: | 10.1108/mmms-04-2018-0074 |
| Popis: | 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 ). |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|