Skip to main content
. 2020 Mar 30;65(5):2310–2324. doi: 10.1021/acs.jced.9b00829

Table 2. Summary of the Optimization of Pitzer Parameters for the CaSO4–H2SO4–H2O Systema.

    Ca2+–SO42– ion interaction
Ca2+–HSO4 ion interaction
    β(0)
β(1)
β(2)
β(0)
β(1)
Cϕ
model OF a bT f/T a bT f/T a bT f/T a bT f/T a bT f/T a bT f/T
set-0b 0.23       D   D D D   x x x x x x x x x
set-1b 0.23       D   D D D   x x x x x x x x  
set-2b 0.71       D   D D D   x x x x x x      
set-3b 0.30       D   D D D   x x   x x x x x  
set-4b 0.39       D   D D D   x x x x x   x x  
set-5b 0.22 x x   D   D D D   x x x x x x x x  
set-6 0.16       x   x x x   x x x x x x x x  
a

The parameters of Gibbs energy changes for forming the solid phase use the A + B × T + C × T ln T form.

b

Values of parameters β(1) and β(2) for Ca2+–SO42– ion interactions are from model D in a previous work7 and kept unchanged in the assessment.