Application of interval analysis for gibbs and helmholtz free energy global minimization in phase stability analysis

AUTOR(ES)

Souza, A. T., Cardozo-Filho, L., Wolff, F., Guirardello, R.

FONTE

Brazilian Journal of Chemical Engineering

DATA DE PUBLICAÇÃO

2006-03

RESUMO

The tangent plane criterion has become important for a correct solution evaluation phase and chemical of equilibrium problem. This method, applicable to single and multiphase systems, is mainly used for a single equation of state modeling all phases involved. The present work is mainly concerned with the application of interval analysis methods for global energy minimization in high-pressure phase stability problems. Two approaches are applied: (i) the Gibbs free energy global minimization under conditions of constant temperature and pressure and (ii) the Helmholtz free energy density global minimization under conditions of constant temperature and volume. Five case studies, one ternary and four binary systems, are analyzed in connection with the Peng-Robinson equation of state (PREOS) model. Five more case studies, for the CO2 + trans-2-hexen-1-ol system at high pressures, are used to compare different methods of phase equilibrium calculation with the approach using interval analysis. Finally, a complex system, clove oil + CO2, is analyzed. The results indicate that the interval analysis method is robust and reliable for all the problems studied.

Documentos Relacionados

• Reduction efficiency prediction of CENIBRA's recovery boiler by direct minimization of gibbs free energy
• Aplicação do método da minimização da energia de Gibbs no cálculo de equilíbrio químico e de fases em sistemas eletrolíticos
• Strand Analysis, a free online program for the computational identification of the best RNA interference (RNAi) targets based on Gibbs free energy
• Top-down free-energy minimization on protein potential energy landscapes
• ISOSTERIC HEAT, ENTROPY, AND GIBBS FREE ENERGY OF PUMPKIN SEEDS (Cucurbita moschata)