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1	Cesium Voltilization in LiF-BeF2: Predicting Release in the Event of FHR Fuel Failure Williams, Johnny Hedrick 22 June 2023 (has links) (PDF) This work demonstrates how ICP-MS can be employed to evaluate cesium volatilization from LiF-BeF2 (Flibe) salt with ab initio molecular dynamics studies used as corroborating data to better understand cesium behavior. Using mixtures of Flibe with 2 mol% CsF, it was found that cesium was stable within the salt melt at temperatures between 500-650°C over a time span of 8 hours. At 800°C, cesium vaporized from the salt at a rate of 0.83% / hr with a mass flux of 0.0023 g Cs / cm2hr. The atomistic modeling results show poor solvation of Cs at 500°C and 800°C, with stability preferred at 650°C. Specialized equipment and procedures were needed to enable this work, especially those required for safe handling of beryllium containing salts. The methods, custom equipment, and important considerations for working with high-temperature fluoride salts are detailed in this thesis. nuclear energy molten salt cesium fluoride flibe FHR MSR AIMD ICP-MS Engineering
2	Electron Transfer and Other Reactions Using Atomic Metal Anions Butson, Jeffery M. 04 February 2014 (has links) The atomic metal anions Rb-, Cs-, Cu-, Ag- and Fe- have been generated in the gas phase and reacted with various neutral reactants in a triple quadrupole mass spectrometer. The metal anions were formed via electrospray ionization of the metal-oxalate solutions and form in gas phase between the capillary and the first quadrupole. Neutral gas phase reactants investigated include NO, NO2, SO2, C6F5OH, C6F5NH2, C6F6, E-octafluoro-butene and 1,2,3/1,2,4/1,3,5 trifluoro-benzene. When possible, CBS-4M methods were used to suggest the lowest energy products based on relative energy. Observed reactions of atomic metal anions with the aforementioned neutral species include electron transfer and dissociative electron transfer to the neutral gas phase reactants. In addition, hydrogen abstraction and fluorine abstraction forming a neutral metal hydride or fluoride as well as the formation of multiply substituted metal-oxide/fluoride anions was also observed. Metal-complex anions observed from the gas phase reactions include CuF-,CuF2-,CuO-,CuO2-, FeO-, FeO2-, FeO3-, FeF-, FeF2-, FeF3-, CsF- and CsF2-. Metal Anion Metal Anion Atomic Atomic Metal Anion Atomic Metals Atomic Metal Anions Anions Metals Mass Spectrometer Triple Quadrupole Rb Cs Fe Cu Ag Cs- Rb- Fe- Cu- Ag- pentafluoroaniline pentafluorophenol nitrogen dioxide sulfur dioxide nitrogen oxide nitrogen monoxide oxygen oxalic oxalic acid gas phase electrospray ionization electrospray ionization electro-spray ionization electro-spray hexafluorobenzene 1,2,3-trifluorobenzene 1,2,4-trifluorobenzene 1,3,5-trifluorobenzene fluorine E-octafluoro-butene octafluoro-butene octafluoro butene CBS-4M abstraction hydrogen abstraction fluorine abstraction hydride fluoride metal hydride metal fluoride caesium fluoride rubidium fluoride iron fluride copper fluoride rubidium caesium iron copper silver iron anion copper anion rubidium anion caesium anion silver anion cesium cesium anion atomic caesium anion atomic cesium anion atomic rubidium anion atomic iron anion atomic copper anion atomic silver anion 1,2,3 trifluorobenzene 1,2,4 trifluorobenzene 1,3,5 trifluorobenzene copper fluoride anion iron fluoride anion copper difluoride copper difluoride anion iron difluoride iron difluoride anion iron trifluoride iron trifluoride anion cesium fluoride cesium fluoride anion caesium difluoride anion caesium difluoride cesium difluoride cesium difluoride anion caesium fluoride anion nitrogen monoxide anion sulfur dioxide anion nitrogen dioxide anion copper oxide copper oxide anion copper dioxide copper dioxide anion iron oxide iron oxide anion iron dioxide iron dioxide anion iron trioxide iron trioxide anion electron transfer
3	Electron Transfer and Other Reactions Using Atomic Metal Anions Butson, Jeffery M. January 2014 (has links) The atomic metal anions Rb-, Cs-, Cu-, Ag- and Fe- have been generated in the gas phase and reacted with various neutral reactants in a triple quadrupole mass spectrometer. The metal anions were formed via electrospray ionization of the metal-oxalate solutions and form in gas phase between the capillary and the first quadrupole. Neutral gas phase reactants investigated include NO, NO2, SO2, C6F5OH, C6F5NH2, C6F6, E-octafluoro-butene and 1,2,3/1,2,4/1,3,5 trifluoro-benzene. When possible, CBS-4M methods were used to suggest the lowest energy products based on relative energy. Observed reactions of atomic metal anions with the aforementioned neutral species include electron transfer and dissociative electron transfer to the neutral gas phase reactants. In addition, hydrogen abstraction and fluorine abstraction forming a neutral metal hydride or fluoride as well as the formation of multiply substituted metal-oxide/fluoride anions was also observed. Metal-complex anions observed from the gas phase reactions include CuF-,CuF2-,CuO-,CuO2-, FeO-, FeO2-, FeO3-, FeF-, FeF2-, FeF3-, CsF- and CsF2-. Metal Anion Metal Anion Atomic Atomic Metal Anion Atomic Metals Atomic Metal Anions Anions Metals Mass Spectrometer Triple Quadrupole Rb Cs Fe Cu Ag Cs- Rb- Fe- Cu- Ag- pentafluoroaniline pentafluorophenol nitrogen dioxide sulfur dioxide nitrogen oxide nitrogen monoxide oxygen oxalic oxalic acid gas phase electrospray ionization electrospray ionization electro-spray ionization electro-spray hexafluorobenzene 1,2,3-trifluorobenzene 1,2,4-trifluorobenzene 1,3,5-trifluorobenzene fluorine E-octafluoro-butene octafluoro-butene octafluoro butene CBS-4M abstraction hydrogen abstraction fluorine abstraction hydride fluoride metal hydride metal fluoride caesium fluoride rubidium fluoride iron fluride copper fluoride rubidium caesium iron copper silver iron anion copper anion rubidium anion caesium anion silver anion cesium cesium anion atomic caesium anion atomic cesium anion atomic rubidium anion atomic iron anion atomic copper anion atomic silver anion 1,2,3 trifluorobenzene 1,2,4 trifluorobenzene 1,3,5 trifluorobenzene copper fluoride anion iron fluoride anion copper difluoride copper difluoride anion iron difluoride iron difluoride anion iron trifluoride iron trifluoride anion cesium fluoride cesium fluoride anion caesium difluoride anion caesium difluoride cesium difluoride cesium difluoride anion caesium fluoride anion nitrogen monoxide anion sulfur dioxide anion nitrogen dioxide anion copper oxide copper oxide anion copper dioxide copper dioxide anion iron oxide iron oxide anion iron dioxide iron dioxide anion iron trioxide iron trioxide anion electron transfer

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