Complex Equilibrium Calculations of Nonideal Multiphase Systems (CEC-NMS) and Applications to Liquid Metal Fuel Combustion

摘要

This technical report summarizes a new chemical equilibrium computer code developed for general reacting systems, and presents equilibrium results for several reacting pairs in liquid metal fuel combustion. Specifically, the object of this report is to develop a general computer code for calculating complex chemical equilibrium of nonideal, multiphase, electrolytic mixtures. The necessary thermodynamic potentials which describe the equilibrium state of a system are developed from the fundamental relation using Legendre transforms. For a system at a given temperature and pressure, the Gibbs' potential function reaches a minimum value at equilibrium. The minimization of this function, subject to element and charge conservation constraints, is viewed as a constrained optimization problem, which is solved by the method of Lagrangian multipliers. Liquid metals. (jes)