LEADER 04093nam 22006855 450 001 9910298646003321 005 20200701151211.0 010 $a3-319-06272-7 024 7 $a10.1007/978-3-319-06272-3 035 $a(CKB)3710000000105700 035 $a(EBL)1731112 035 $a(OCoLC)884587754 035 $a(SSID)ssj0001199721 035 $a(PQKBManifestationID)11767478 035 $a(PQKBTitleCode)TC0001199721 035 $a(PQKBWorkID)11204867 035 $a(PQKB)10154755 035 $a(MiAaPQ)EBC1731112 035 $a(DE-He213)978-3-319-06272-3 035 $a(PPN)178322024 035 $a(EXLCZ)993710000000105700 100 $a20140423d2014 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aSimulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry /$fby Amit Agarwal 205 $a1st ed. 2014. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2014. 215 $a1 online resource (354 p.) 225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 300 $a"Doctoral Thesis accepted by University of Oxford, UK." 311 $a1-322-03982-8 311 $a3-319-06271-9 320 $aIncludes bibliographical references at the end of each chapters. 327 $aIntroduction 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. 330 $aAmit Agarwal?s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal. 410 0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 606 $aChemistry, Physical and theoretical 606 $aPhysical chemistry 606 $aNuclear chemistry 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aPhysical Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C21001 606 $aNuclear Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C31000 615 0$aChemistry, Physical and theoretical. 615 0$aPhysical chemistry. 615 0$aNuclear chemistry. 615 14$aTheoretical and Computational Chemistry. 615 24$aPhysical Chemistry. 615 24$aNuclear Chemistry. 676 $a541.38 700 $aAgarwal$b Amit$4aut$4http://id.loc.gov/vocabulary/relators/aut$01057920 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910298646003321 996 $aSimulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry$92495571 997 $aUNINA