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. 2021 Apr 20;6(17):11355–11366. doi: 10.1021/acsomega.1c00340

Table 3. Optimized UNIQUAC and MIDRANGE Binary Interaction Parameters for the Co(II) Chloride Solvent Extraction Model with TOMAC in Toluene at 298 K.

system UNIQUAC MIDRANGEa MIDRANGE densityb
    b0(Cl,Co2+) = 54.96  
aqueous phase:   c0(Cl,Co2+) = −89.56  
Water   b0(Cl,CoCl+) = 32.37  
CoCl2   c0(Cl,CoCl+) = 60.02  
HCl, LiCl      
CaCl2, MgCl2   b0(Cl,CoCl42–) = 23.88  
AlCl3   c0(Cl,CoCl42–) = −45.38  
       
    b0(Cl,Li+) = 194.0 d1(H2O,Li+) = 1.95 × 10–3
    c0(Cl,Li+) = 10.36  
       
    b0(Cl,Al3+) = −902.1  
    c0(Cl,Al3+) = 1268  
       
  a(H2O,QCl) = 1.239 × 105 b0(H2O,QCl) = 30.32 d1(H2O,QCl) = −6.99 × 10–3
  a(QCl,H2O) = −3239 c0(H2O,QCl) = 6.506 d2(H2O,QCl) = −1.54 × 10–2
      d4(H2O,QCl) = −1.54 × 10–6
  a(HCl,QCl) = −5970 b0(HCl,QCl) = 7.738 d1(HCl,QCl) = −0.207
organic phase: a(QCl,HCl) = −1.720 × 104 c0(HCl,QCl) = −114.1 d2(HCl,QCl) = −0.195
TOMAC (QCl)      
toluene (Tol) a(Tol,QCl) = 6510 b0(Tol,QCl) = 23.48 d1(H2O,Tol) = −3.38 × 10–4
Water a(Tol,H2O) = −4082   d2(H2O,Tol) = −3.08 × 10–4
HCl      
Q2CoCl4 a(Tol,Q2CoCl4) = 651.4   d1(HCl,Tol) = 4.51 × 10–3
  a(Q2CoCl4,Tol) = −2492   d2(HCl,Tol) = 8.08 × 10–3
  a(H2O,Q2CoCl4) = −664.4    
  a(Q2CoCl4,H2O) = 5.296 × 106    
a

MIDRANGE ionic strength independent (b) and dependent (c) parameters.19

b

MIDRANGE binary density interaction parameters in the OLI-MSE framework according to the equation Inline graphic.