A general method of calculating phase equilibria in a multicomponent system by means of a hill-climbing minimization procedure

Jean-Noel Barbier (1) , Pierre-Yves Chevalier (1) , Ibrahim Ansara (1)

1 LTPCM - Laboratoire de thermodynamique et physico-chimie métallurgiques

A generalization of the method of calculating the state of equilibrium of a multicomponent system, using a hill-climbing minimization procedure, is proposed. Moreover, an original method of calculating values for partial free energies from the state of equilibrium has been made an essential part of the general schedule.

Mots clés: Phase equilibria; Thermodynamic calculation; Multicomponent system; Minimization

Domaines: Mathématiques générales [math.GM]; Chimie inorganique

Jean-Noel Barbier, Pierre-Yves Chevalier, Ibrahim Ansara. A general method of calculating phase equilibria in a multicomponent system by means of a hill-climbing minimization procedure. Thermochimica Acta, 1983, 70, pp.173-188. ⟨hal-00162443⟩