Numerical modeling of mass transfer for solvent-carbon dioxide system at supercritical (miscible) conditions

G. H. Chong, S. Y. Spotar, R. Yunus

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

A numerical procedure of mathematical model for mass transfer between a droplet of organic solvent and a compressed antisolvent is presented for conditions such that the two phases are fully miscible. The model is applicable to the supercritical antisolvent (SAS) method of particle formation. In this process, solute particles precipitate from an organic solution when sprayed into a compressed antisolvent continuum. Effects of operating temperature and pressure on droplet behavior were examined. The CO2 critical locus and the conditions for which the densities of solvent and carbon dioxide are equal are identified. Calculations were performed using Peng-Robinson equation of state. The model equations were put into the form that allowed the application of the Matlab standard solver pdepe. Calculations with toluene, ethanol, acetone (solvents) and carbon dioxide (antisolvent) demonstrated that droplets swell upon interdiffusion when the solvent is denser than the antisolvent and shrink when the antisolvent is denser. Diffusion modeling results might be used for data interpretation or experiments planning of the more complex real SAS process.

Original languageEnglish
Pages (from-to)3055-3061
Number of pages7
JournalJournal of Applied Sciences
Volume9
Issue number17
DOIs
Publication statusPublished - 2009
Externally publishedYes

Fingerprint

droplet
mass transfer
carbon dioxide
modeling
data interpretation
swell
acetone
equation of state
toluene
ethanol
solute
experiment
temperature
calculation
particle
planning
effect
method
organic solvent

Keywords

  • Diffusion
  • Droplets shrink
  • Droplets swell
  • Supercritical antisolvent method

ASJC Scopus subject areas

  • General

Cite this

Numerical modeling of mass transfer for solvent-carbon dioxide system at supercritical (miscible) conditions. / Chong, G. H.; Spotar, S. Y.; Yunus, R.

In: Journal of Applied Sciences, Vol. 9, No. 17, 2009, p. 3055-3061.

Research output: Contribution to journalArticle

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