First-principles Chemistry for Combustion of Hydrocarbon Fuels
Author: Lam Kim Huynh
Publisher:
Published: 2007
Total Pages: 177
ISBN-13: 9781109936841
DOWNLOAD EBOOKChapter 1 is an overview on the main challenges in building complete kinetic mechanisms for combustion of hydrocarbon fuels. The suggested solutions to address these challenges are also introduced in this chapter. Chapter 2 presents the RC-TST methodology. Several applications of the RC-TST are presented in Chapter 3. Chapter 4 is about the implementation of the ME methodology in calculating the pressure-dependent rate constants for complex reactions on multiple, interconnected potential energy surface. An illustration is given as "Kinetics of Enol Formation from Reaction of OH with Propene."