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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 LD50 (50% lethal dose), EC50 (the concentration
of the desired IL that produces mortality of 50 percent of the
bacterial population) and log(IGC50-1) (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.
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. This 2nd
Edition includes an updated and improved presentation of the
applicationnof different new models for reliable prediction of
diverse aspects of flammability of organic compounds.
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.
This book discusses methods for the assessment of energetic
compounds through heat of detonation, detonation pressure, velocity
and temperature, Gurney energy and power. The authors focus on the
detonation pressure and detonation velocity of non-ideal aluminized
energetic compounds. This 2nd Edition includes an updated and
improved presentation of simple, reliable methods for the design,
synthesis and development of novel energetic compounds.
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.
In recent years, it has been important for scientists and chemical
industries to introduce and develop new liquid fuels as jet fuels
and propellants for propulsion purposes. Different aspects should
be considered for the selection of a good candidate such as
combustion performance, desired physical properties,
noncarcinogenic and less toxicity. New synthetic hydrocarbon fuels
with favorable combustion performance and physical properties have
been considered as desirable jet fuels. They can be used in
aircrafts such as military jets because of their higher volumetric
energy density. A liquid-propellant rocket uses liquid propellants
for propulsion. Liquid propellants should have the desirable
properties of high energy density per unit mass, high specific
impulse, and short ignition delays. Hypergolic propellants as
important classes of liquid propellants are characterized by
spontaneous reaction upon fuel and oxidizer mixing and high energy
yield. Moreover, they should be relatively ignitable and have a
small ignition time delay. This book reviews some efforts that have
been done to introduce new candidates to replace conventional
hydrazine fuels because they are acutely toxic and suspected
carcinogens, costly safety precautions and handling procedures are
required. This book reviews the latest advances in liquid fuels,
which may be used as jet fuels and liquid propellants. Important
properties for assessment of a suitable liquid are demonstrated.
This book can be used for graduate students in the field of
chemistry and chemical engineering. It may also be useful for
scientists and researchers who work on the development of new
liquid fuels with high performance as well as those that are
noncarcinogenic or have less toxicity.
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