04093nam 22006855 450 991029864600332120200701151211.03-319-06272-710.1007/978-3-319-06272-3(CKB)3710000000105700(EBL)1731112(OCoLC)884587754(SSID)ssj0001199721(PQKBManifestationID)11767478(PQKBTitleCode)TC0001199721(PQKBWorkID)11204867(PQKB)10154755(MiAaPQ)EBC1731112(DE-He213)978-3-319-06272-3(PPN)178322024(EXLCZ)99371000000010570020140423d2014 u| 0engur|n|---|||||txtccrSimulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry /by Amit Agarwal1st ed. 2014.Cham :Springer International Publishing :Imprint: Springer,2014.1 online resource (354 p.)Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053"Doctoral Thesis accepted by University of Oxford, UK."1-322-03982-8 3-319-06271-9 Includes bibliographical references at the end of each chapters.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.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.Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053Chemistry, Physical and theoreticalPhysical chemistryNuclear chemistryTheoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Physical Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C21001Nuclear Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C31000Chemistry, Physical and theoretical.Physical chemistry.Nuclear chemistry.Theoretical and Computational Chemistry.Physical Chemistry.Nuclear Chemistry.541.38Agarwal Amitauthttp://id.loc.gov/vocabulary/relators/aut1057920MiAaPQMiAaPQMiAaPQBOOK9910298646003321Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry2495571UNINA