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JAEA Reports

Development of chemical equilibrium analysis code "CHEEQ"

Nagai, Shuichiro

JAEA-Research 2006-053, 184 Pages, 2006/08

JAEA-Research-2006-053.pdf:14.36MB

"CHEEQ" code which calculates the partial pressure and the mass of the system consisting of ideal gas and pure condensed phase compounds, was developed. "CHEEQ" was consisted of following 3 parts, (1) analysis code, zc132.f (2) thermodynamic data base, zmdb01 and (3) input data file, zindb. "CHEEQ" code can calculate the system which consisted of elements (max.20), condensed phase compounds (max.100) and gaseous compounds. (max.200) Thermodynamic data base, zmdb01 contains about 1000 elements and compounds, and 200 of them were Actinide elements and their compounds. This report describes the basic equations, the outline of the solution procedure and instruction to prepare the input data and to evaluate the calculation results.

JAEA Reports

Analytical evaluation of solidus and liquidus temperature on (U,Pu)O $_{2-x}$ fuel

Nagai, Shuichiro

JNC TN8410 2002-014, 127 Pages, 2003/02

JNC-TN8410-2002-014.pdf:9.33MB

Phase diagram calculation code PD32 for 2 phases-2components and 2 phases-3components systems was developed based on Gibbs Free Energy Minimum Principal under equilibrium condition. Phase diagram calculation of UO $_{2}$ -PuO $_{2}$ system described by ideal solution model and Ag-Au-Cu system described by regular solution model showed that PD32 gave the reasonable results, that was, the chemical potential of each component had good agreement between two phases. Free energy of solid U-O, Pu-O and (U,Pu)O $_{2-x}$ systems was calculated based on Blackburn's oxygen potential model. For the calculation of free energy of liquid systems, three parameters which modified the equilibrium constants between the metal ions and oxygen pressure in Blackburn model was introduced, and was established to fit the solidus and liquidus line in U-O and Pu-O systems. Calculated solidus and liquidus line and their O/M dependence in (U,Pu)O $_{2-x}$ system agreed well with measured data by Aitken et al. It was confirmed that the solidus and liquidus line between Pu-O and (U,Pu)O $_{2-x}$ systems by Aitken et al was self-consistent.

JAEA Reports

Chemical theromodynamics and its application for nuclear fuel

Nagai, Shuichiro

JNC TN8410 2001-022, 120 Pages, 2001/10

JNC-TN8410-2001-022.pdf:339.54MB

Lecture on "Chemical thermodynamics and its application on nuclear fuel" had been performed for the engineer in Plutonium fuel center from June H12 to February H13. This report is the revised text used on the lecture. The characteristics of this text are (1)in order to understand chemical equilibrium condition ( entropy maximum condition for the isolated system, Gibbs free energy minimum condition for the isothermal and isopressure condition, and equality of the chemical potential in equilibrated phases), concrete example are shown in the text (2)thermodynamic data and model of nuclear fuels useful for fuel fabrication are described.

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