J. Krissmann et al., Improved thermochemical data for computation of phase and chemical equilibria in flue-gas/water systems, FLU PH EQUI, 169(2), 2000, pp. 223-236
A thermodynamic model for the computation of phase and chemical equilibrium
in aqueous systems based on minimization of the Gibbs energy is developed
using new thermochemical data and Fitter's activity coefficient model. New
data for the thermodynamic standard properties Delta(f)G(o), Delta(f)H(o) a
nd C-p(o), are determined from our experimental results, which are based on
the spectrometric in situ analysis of both the vapor and the liquid phase.
The studies have been made in the concentration range pertinent to flue ga
s purification processes: p(So2) between 0.01 and 1 kPa, c(HCl) up to 1 mol
dm(-3), C-H2SO4 and c(CaCl2) up to 0.5 mol dm(-3). The temperature varies
from 298 to 333 K. In comparison with earlier data, a better correlation of
important flue-gas/water subsystems like SO2 + water is achieved and a for
merly proposed complexation of sulfur dioxide in the SO2 + HCl + H2O system
is confirmed. In particular, it is shown that on this basis the phase equi
libria of SO2 + CaCl2 + H2O and SO2 + HCl + H2SO4 + H2O can be predicted wi
thout further adjustment of parameters. (C) 2000 Elsevier Science B.V. All
rights reserved.