Rate Constant Estimation for Thermal Reactions: Methods and Applications

An overview of the latest computational approaches to estimating rate constants for thermal reactions, this book ties theory to applications in application areas such as fuel combustion and polymerization reactions. When modeling and simulating chemical reactions, researchers often have to compromis [...]
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An overview of the latest computational approaches to estimating rate constants for thermal reactions, this book ties theory to applications in application areas such as fuel combustion and polymerization reactions. When modeling and simulating chemical reactions, researchers often have to compromise between higher-accuracy/higher-precision approaches and approximate/lower-precision approaches. This book covers both approaches, augmented by a wide-range of applications of these methods to fuel combustion, unimolecular and bimolecular reactions, and the emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.