Development of chemical equilibrium analysis code "CHEEQ"

Nagai, Shuichiro

"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.