scholarly journals Developing Practical Models of Complex Salts for Molten Salt Reactors

Thermo ◽  
2021 ◽  
Vol 1 (2) ◽  
pp. 168-178
Author(s):  
Theodore M. Besmann ◽  
Juliano Schorne-Pinto

Molten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynamic models for the salt systems. Molten salts, however, are difficult to represent as they exhibit short-range order that is dependent on both composition and temperature. A widely useful approach is the modified quasichemical model in the quadruplet approximation that provides for consideration of first- and second-nearest-neighbor coordination and interactions. Its use in the CALPHAD approach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. A shortcoming of the model is its inability to directly vary coordination numbers with composition or temperature. Another issue is the difficulty in fitting model parameters using regression methods without already having very good initial values. The proposed paper will discuss these issues and note some practical methods for the effective generation of useful models.

Author(s):  
Theorore M. Besmann ◽  
Juliano Schorne-Pinto

olten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynamic models for the salt systems. Molten salts, however, are difficult to represent as they exhibit short range order that is dependent on both composition and temperature. A widely useful approach is the modified quasichemical model in the quadruplet approximation that provides for consideration of first and second nearest neighbor coordination and interactions. Its use in the CALPHAD ap-proach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. Shortcoming of the model is its inability to directly vary coordination numbers with composition or temperature. Another issue is the difficulty in fitting model parameters using regression methods without already having very good initial values. The proposed paper will discuss these issues and note some practical methods for the effective genera-tion of useful models.


2020 ◽  
Vol 34 (10) ◽  
pp. 2050087
Author(s):  
Erhan Albayrak

The Ising model with nearest- and next-nearest-neighbor (NNN) bilinear interactions is examined on the Bethe lattice (BL) in terms of exact recursion relations (ERR) when the external magnetic [Formula: see text] is turned on. The thermal variation of the magnetization belonging to the central spin is investigated to calculate the possible phase diagrams of the model for given coordination numbers. Different phase regions, ferromagnetic (FM), antiferromagnetic (AFM) and paramagnetic (PM), are discovered and the phase lines in terms of first-order or second-order phase transitions are calculated. These lines are found to be order–disorder or order–order phase transition lines. It is also found that they combine at some special points or terminate at some end points for appropriate values of the model parameters.


1981 ◽  
Vol 34 (3) ◽  
pp. 479 ◽  
Author(s):  
H Bloom ◽  
MS White

The electromotive forces of galvanic cells for the formation of PbBr2 in the molten binary salt systems, PbBr2-KBr, PbBr2,-RbBr and PbBr2-CsBr, have been measured. Activities, activity coefficients and partial molar free energies have been calculated for each component of the three systems. Integral free energies of mixing have also been calculated. Various models of mixing of molten salts have been applied to the results. The systems contain complex ions, probably mixtures of PbBr42-, PbBr64- with some PbBr3-.


1993 ◽  
Vol 47 (8) ◽  
pp. 1286-1288 ◽  
Author(s):  
Sheng Dai ◽  
G. Mamantov ◽  
J. E. Coffield ◽  
G. M. Begun ◽  
J. P. Young

2000 ◽  
Vol 644 ◽  
Author(s):  
Eiichiro Matsubara ◽  
Takahiro Nakamura ◽  
Masaki Sakurai ◽  
Muneyuki Imafuku ◽  
Shigeo Sato ◽  
...  

AbstractLocal atomic structures around Zr and Pt in a quasicrystalline Zr80Pt20alloy, and amorphous and quasicrystalline Zr70Ni10Pt20alloys have been determined by the anomalous x-ray scattering (AXS) method. A distinct prepeak observed in an intensity profile of the amorphous Zr70Ni10Pt20alloy indicates existence of strong chemical short-range order (CSRO) clusters in the amorphous phase. Total coordination numbers around Zr and Pt in a nearest neighbor region in both alloys have been evaluated. The values around Pt are almost equal to 12 in the amorphous and quasicrystalline states suggest formation of icosahedral clusters around Pt. Some of crystalline structures formed from the quasicrystalline phases by annealing consist of icosahedral clusters of Zr and Ni atoms, or polyhedral clusters of Zr and Pt atoms similar with icosahedral clusters. The present result appears to support that the phase transformation from the amorphous to the crystal through the quasicrystal is explained by the icosahedral CSRO clusters in the amorphous and quasicrystalline states.


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