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