Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry

• Main Author: Agarwal, Amit (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2014.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Chemistry.; Physical chemistry.; Chemistry, Physical and theoretical.; Nuclear chemistry.; Theoretical and Computational Chemistry.; Physical Chemistry.; Nuclear Chemistry.

Amit Agarwal’s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Ra...

Table of Contents:

• Introduction to Radiation Chemistry
• Theory of Scavenging and Recombination Kinetics
• Spin Dynamics
• Simulation Techniques and Development
• Photodissociation of Hydrogen Peroxide Solution
• Reactive Products: New IRT algorithm
• Competition between Ion Recombination and Scavenging
• Quantum Entanglement: Radiolysis of Hydrocarbons
• Extending the IRT Algorithm for Micelles.