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 Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

During the twentieth century, radiation chemistry emerged as a multi-faceted field encompassing all areas of science. Radiation chemical techniques are becoming increasingly popular and are being routinely used not only by chemists but also by biologists, polymer scientists, etc. "Radiation Chemistry: Present Status and Future Trends" presents an overall view of the different aspects of the subject. The chapters review the current status of the field and present the future opportunities in utilizing radiation chemical techniques. This will be of interest to chemists in general and in particular to radiation chemists, chemical kineticists, photochemists, physical-organic chemists and spectroscopists. In view of the diverse nature of the field, the book is a multi-authored effort by several experts in their particular areas of research. Six main areas, both basic and applied, were identified and the book is organized around them. The topics were selected in terms of their relative importance and the contribution of radiation chemistry to the general areas of chemistry, biology and physics. The topics covered are as diverse as gas phase radiation chemistry, the use of radiation chemical techniques, the treatment of water pollutants, the chemical basis of radiation biology, and muonium chemistry. The book also contains an update of the next generation electron accelerators.

Applications of EPR in Radiation Research is a multi-author contributed volume presented in eight themes: I. Elementary radiation processes (in situ and low temperature radiolysis, quantum solids); II: Solid state radiation chemistry (crystalline, amorphous and heterogeneous systems); III: Biochemistry, biophysics and biology applications (radicals in biomaterials, spin trapping, free-radical-induced DNA damage); IV: Materials science (polymeric and electronic materials, materials for treatment of nuclear waste, irradiated food); V: Radiation metrology (EPR-dosimetry, retrospective and medical applications); VI: Geological dating; VII: Advanced techniques (PELDOR, ESE and ENDOR spectroscopy, matrix isolation); VIII: Theoretical tools (density-functional calculations, spectrum simulations).

This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other “novices” who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.