6 research outputs found
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Ab-initio simulation studies of chromium solvation in molten fluoride salts
Understanding molten salt chemistry is essential in ongoing research of the molten salt nuclear reactor (MSR). In this context, detailed understanding of the mechanisms underlying selective oxidation of metal species, such as Cr, is required to guide the design of effective corrosion mitigation strategies in molten salts. An important starting point for such mechanistic understanding is knowledge of the solvation structure and its role in controlling metal speciation. In this work, we use ab initio molecular dynamics simulations to study the short-range (on the scale of the nearest-neighbor bond lengths) and medium-range (over length scales of several neighbor spacings) structure in three different fluoride melts with and without Cr addition; namely, 2KF-NaF, 2LiF-BeF2, and 3LiF-AlF3. We find that Cr0,Cr2+,Cr3+ can each be coordinated by different numbers of F-, with the variance in coordination number decreasing as oxidation state increases, and that these coordination geometries are largely independent of solvent. The manner by which Cr changes the medium-range structure, however, is found to be solvent-dependent. While 2KF-NaF melts show short and medium range order that is highly dynamic, 2LiF-BeF2 and 3LiF-AlF3 are characterized by molecular associates that are relatively long-lived that organize into oligomer structures on larger length scales. Rather than being solvated by F- ions alone, we find that Cr can incorporate into and be solvated within this oligomer structure. Fluoroacidity, alone, may therefore prove too simple a metric for assessing the corrosivity of molten fluorides. As our work suggests, the ability of Cr to solvate must be understood in the context of the short- and medium-range structure of the solvent
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Design summary of the Mark-I pebble-bed, fluoride salt-cooled, high-temperature reactor commercial power plant
The University of California, Berkeley (UCB), has developed a preconceptual design for a commercial pebble-bed (PB), fluoride salt-cooled, high-temperature reactor (FHR) (PB-FHR). The baseline design for this Mark-I PB-FHR (Mk1) plant is a 236-MW(thermal) reactor. The Mk1 uses a fluoride salt coolant with solid, coated-particle pebble fuel. The Mk1 design differs from earlier FHR designs because it uses a nuclear air-Brayton combined cycle designed to produce 100 MW(electric) of base-load electricity using a modified General Electric 7FB gas turbine. For peak electricity generation, the Mk1 has the ability to boost power output up to 242 MW(electric) using natural gas co-firing. The Mk1 uses direct heating of the power conversion fluid (air) with the primary coolant salt rather than using an intermediate coolant loop. By combining results from computational neutronics, thermal hydraulics, and pebble dynamics, UCB has developed a detailed design of the annular core and other key functional features. Both an active normal shutdown cooling system and a passive, natural-circulation-driven emergency decay heat removal system are included. Computational models of the FHR-validated using experimental data from the literature and from scaled thermal-hydraulic facilities-have led to a set of design criteria and system requirements for the Mk1 to operate safely and reliably. Three-dimensional, computer-aided-design models derived from the Mk1 design criteria are presented