Rate Constant Calculation for Thermal Reactions: Methods and Applications
Herbert Dacosta
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Description for Rate Constant Calculation for Thermal Reactions: Methods and Applications
Hardcover. * Provides an overview of the latest computational approaches to estimate rate constants for thermal reactions, which are required in order to optimize processes and operating conditions in the manufacture of a broad range of products including food, fuels, medicines, engineers, and catalytic converters, for example. Editor(s): DaCosta, Herbert; Fan, Maohong. Num Pages: 360 pages, Illustrations. BIC Classification: TDCB. Category: (P) Professional & Vocational. Dimension: 166 x 240 x 23. Weight in Grams: 646.
Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented ... Read more
Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented ... Read more
Product Details
Format
Hardback
Publication date
2012
Publisher
John Wiley & Sons Inc United Kingdom
Number of pages
360
Condition
New
Number of Pages
360
Place of Publication
New York, United States
ISBN
9780470582305
SKU
V9780470582305
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
About Herbert Dacosta
Herbert DaCosta is currently a principal consultant at Chem-Innovations LLC and an adjunct professor of chemistry at Illinois Central College. His research interests include environmental catalysis and clean energy, nanomaterial design and synthesis, computational chemistry, and kinetics. Maohong Fan is Associate Professor at the University of Wyoming and an adjunct associate professor at the Georgia Institute of Technology. His ... Read more
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