Calculations of thermodynamic equilibrium in systems subject to gravitational fields

Rogério O. Espósito, Marcelo Castier, Frederico W. Tavares

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

The objective of this work is to present a procedure for the calculation of chemical and phase equilibrium (CPE) in multicomponent mixtures subject to the effect of gravitational fields. The specifications are the total volume, initial number of moles of each species and temperature. The problem is formulated as the minimization of a modified form of the Helmholtz function that contains a term to account for the potential energy. To solve this problem, the system is divided into layers. It is assumed that each of these layers is a homogeneous part of the system, and that each phase occupies a specified number of layers. Layers in the same phase are assumed to have the same size whereas those in different phases typically have different sizes. In the minimization of the modified Helmholtz function, the independent variables are the volume fraction of each phase (thereby defining the location of the interfaces) and the number of moles of each species in each layer, taking into account the possibility of chemical reactions. The procedure is used to calculate density and pressure profiles with height for pure fluids close the critical point and composition profiles for reactive and non-reactive mixtures. (C) 2000 Elsevier Science Ltd. All rights reserved.

Original languageEnglish
Pages (from-to)3495-3504
Number of pages10
JournalChemical Engineering Science
Volume55
Issue number17
DOIs
Publication statusPublished - Sep 2000
Externally publishedYes

Fingerprint

Thermodynamic Equilibrium
Gravitational Field
Thermodynamics
Potential energy
Phase equilibria
mole
Hermann Von Helmholtz
Chemical reactions
Volume fraction
Specifications
Fluids
Phase Equilibria
Chemical analysis
Chemical Reaction
Volume Fraction
Critical point
Temperature
Specification
Calculate
Fluid

Keywords

  • Chemical equilibrium
  • Equation of state
  • Field
  • Gravity
  • Method of calculation
  • Vapor-liquid equilibrium

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering
  • Applied Mathematics

Cite this

Calculations of thermodynamic equilibrium in systems subject to gravitational fields. / Espósito, Rogério O.; Castier, Marcelo; W. Tavares, Frederico.

In: Chemical Engineering Science, Vol. 55, No. 17, 09.2000, p. 3495-3504.

Research output: Contribution to journalArticle

Espósito, Rogério O. ; Castier, Marcelo ; W. Tavares, Frederico. / Calculations of thermodynamic equilibrium in systems subject to gravitational fields. In: Chemical Engineering Science. 2000 ; Vol. 55, No. 17. pp. 3495-3504.
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