Combustible Organic Materials: Determination and Prediction of Combustion Properties (De Gruyter Stem)

The combustion properties of organic materials are used to assess their safety specifications. This knowledge is necessary to avoid potentially disastrous fires. The experimental determination of the combustion properties of a new organic compound is laborious and sometimes even impossible. This book describes methods for the determination and prediction of the combustion properties of organic compounds, along with some examples and exercises. Describes methods to assess potentially combustible materials after synthesis. Provides reliable approaches for the determination of the combustion properties of volatile organic compounds. Cover Half Title Also of Interest Combustible Organic Materials: Determination and Prediction of Combustion Properties Copyright Preface Contents 1. Flash Point 1.1 Measurement of the FP 1.2 Predictive methods of the FP for pure compounds 1.2.1 Empirical models 1.2.1.1 The use of NBP 1.2.1.2 The NBP and enthalpy of vaporization at the NBP 1.2.1.3 The NBP and nC 1.2.1.4 Linear correlation between the FP, the NBP, and predefined functional groups constituting the molecule 1.2.1.5 Non-linear model for the prediction of FP using NBP 1.2.2 The SGC methods 1.2.2.1 Organosilicon compounds 1.2.2.2 MNLR and ANN structural group contribution methods 1.2.3 QSPR models 1.2.3.1 Saturated alkanes 1.2.3.2 Unsaturated hydrocarbons 1.2.3.3 General correlation between saturated and unsaturated hydrocarbons 1.2.3.3.1 Structural parameter P(+) 1.2.3.3.2 Structural moieties affecting P(–) 1.2.3.3.3 Different behavior of mono-alkyl substituted cyclopentane and cyclohexane 1.2.3.4 Kerosene hydrocarbons 1.2.3.4.1 Definition of FP+ 1.2.3.4.2 Description of FP–: 1.2.3.5 Various classes of amines 1.2.3.5.1 Prediction of IP 1.2.3.5.2 Prediction of DP 1.2.3.6 Alcohols and phenols 1.2.3.7 Pure organic chemicals from structural contributions 1.3 Estimation methods of the FP for mixtures 1.3.1 Catoire et al. method [73] 1.3.1.1 Determination of NBPmix 1.3.1.2 Determination of ΔvapH°ð298.15 KÞmix 1.3.1.3 Determination of nC,mix 1.3.2 Pan et al. method [98] 1.3.2.1 MLR model 1.3.2.2 MNR model 1.3.2.3 Comparison of two models of Pan et al. [98] and Catoire et 1.4 Summary 2. Autoignition 2.1 Measurement of the AIT 2.2 Predictive methods of the AIT for pure compounds 2.2.1 The use of SGC by a polynomial of degree 3 for organic compounds 2.2.2 A simple QSPR model for various classes of hydrocarbons 2.2.2.1 FSH 2.2.2.2 FBH 2.2.2.3 Comparison of the reliability of this method with SGC method 2.2.3 A new and reliable model for prediction of the AIT of organic compounds containing energetic groups 2.3 Summary 3. Flammability Limit 3.1 Measurement of the LFL and UFL 3.2 Predictive methods of the flammability limits 3.2.1 The predicted LFL as a function of temperature 3.2.2 The use of SGC method for prediction of the LFL and UFL of pure hydrocarbons 3.2.3 Extended method for prediction of the UFL of pure compounds 3.3 Summary 4. Heat of Combustion 4.1 Experimental methods for determination of heats of combustion 4.2 Different approaches for prediction of the heats of combustion 4.2.1 Predicting the standard net heat of combustion for pure hydrocarbons from their molecular structure 4.2.2 Prediction of the standard net heat of combustion from molecular structure 4.2.3 A new method for predicting the gross heat of combustion of polynitro arene, polynitro heteroarene, acyclic and cyclic nitramine, nitrate ester and hitroaliphatic compounds 4.3 Summary 5. Polymer Flammability 5.1 Experimental method based on pyrolysis combustion flow calorimetry 5.2 Different approaches for prediction of flammability parameters 5.2.1 SGC method of Walters and Lyon for prediction of the heat release capacity 5.2.2 SGC method of Lyon et al. for prediction of total heat release (heat of combustion), char yield, and heat release capacity 5.2.3 The simplest model for reliable prediction of total heat relea 5.2.4 A simple model for reliable prediction of the specific heat re 5.2.5 A simple method for the reliable prediction of char yield of polymers 5.3 Summary Problems Chapter 1 Chapter 2 Chapter 3 Chapter 5 Answers to Problems Chapter 1 Chapter 2 Chapter 3 Chapter 4 List of Symbols Appendix A Appendix B Appendix C Appendix D References About the Author Index Cover back "The combustion properties of organic materials are used to assess their safety specifications. This knowledge is necessary to avoid potentially disastrous fires. The experimental determination of the combustion properties of a new organic compound is laborious and sometimes even impossible. This book describes methods for the determination and prediction of the combustion properties of organic compounds, along with some examples and exercises."-- Provided by publisher