Application of interval analysis for Gibbs and Helmholtz free energy global minimization in phase stability analysis



Document title: Application of interval analysis for Gibbs and Helmholtz free energy global minimization in phase stability analysis
Journal: Brazilian journal of chemical engineering
Database: PERIÓDICA
System number: 000309077
ISSN: 0104-6632
Authors: 1
2

Institutions: 1Universidade Estadual de Campinas, Faculdade de Engenharia Quimica, Campinas, Sao Paulo. Brasil
2Universidade Estadual de Maringa, Departamento de Engenharia Quimica, Maringa, Parana. Brasil
Year:
Season: Mar
Volumen: 23
Number: 1
Pages: 117-124
Country: Brasil
Language: Inglés
Document type: Artículo
Approach: Experimental, aplicado
English abstract 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
Disciplines: Química,
Matemáticas
Keyword: Matemáticas aplicadas,
Ingeniería química,
Energía libre de Helmholtz,
Estabilidad de fase,
Análisis de intervalos,
Modelos matemáticos
Keyword: Chemistry,
Mathematics,
Applied mathematics,
Chemical engineering,
Helmholtz free energy,
Phase stability,
Interval analysis,
Mathematical models
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