Mohammad Hossein Keshavarz Livres

The book focuses on the assessment of combustion properties of organic materials to ensure safety and prevent fires. It addresses the challenges in experimentally determining these properties for new organic compounds and offers methods for their prediction. Additionally, it includes practical examples and exercises to enhance understanding, making it a valuable resource for researchers and professionals in the field of fire safety and materials science.

Due to the advances of various methods for the prediction of toxicity of organic compounds and ionic liquids (ILs), it is necessary to review these methods for scientists and students. It is essential to compare the advantages and shortcomings of these methods. Since many organic compounds and ILs are synthesized each year, this book introduces suitable models for the assessment of their toxicities. This book reviews the best predictive methods for the prediction of toxicity of organic compounds and ILs, which were derived by in vitro or in vivo experiments. Different available quantitative structure‐toxicity relationship (QSTR) models based on various descriptors have been discussed to predict toxicity parameters such as LD 50 (50% lethal dose), EC 50 (the concentration of the desired IL that produces mortality of 50 percent of the bacterial population) and log(IGC 50 -1 ) (logarithm of 50% growth inhibitory concentration of T. pyriformis ) of various classes of organic compounds and ILs. The reliability of these methods is compared and discussed. Each chapter contains some complimentary problems with their answers, which can improve the experience of students and researchers. The introduced subjects are suitable for advanced students in chemistry, biochemistry, medicinal chemistry, and chemical engineering.

For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity, of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not limited to): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonationcausing external stimuli such as heat, friction, impact, shock and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.

Since the synthesis and development of new energetic materials require identification of promising candidates for additional study and elimination of poor candidates from further consideration, it is important for engineers, scientists and industries to assess the performance of the new compounds for reducing costs associated with synthesis, testing and evaluation of these materials. Nowadays different approaches have been used to predict the performance of energetic compounds, which can be recognized to be cost-effective, environmentally-desirable and time-saving capabilities. This book reviews different methods for the assessment of the performance of an energetic compound through its heat of detonation, detonation pressure, detonation velocity, detonation temperature, Gurney energy and power (strength). The book also focuses on the detonation pressure and detonation velocity of non-ideal aluminized energetic compounds. Simple and reliable methods are demonstrated in detail where they can be easily used for the design, synthesis and development of novel energetic compounds.