UNIFAC (Original)

Back to UNIFAC (Original) (Ternary)

ln(γ_j) = ln(γ_j,c) + summation from i = 1 to N of [n_j,i × {ln(γ_i)-γ_j,i}] where

ln(γ_j,c) = ln(Φ_j / x_j) + 5 × q_j × ln(Θ_i / Φ_i) + l_j - (Φ_j / x_j) × the summation from k=1 to 3 of [x_k × l_k]

Θ_i = x_i × q_j / summation from j=1 to 3 of [x_j × q_j]

Φ_i = x_i × r_j / summation from j=1 to 3 of [x_j × r_j]

l_j = 5 × (r_j - q_j) + 1 - r_j

γ_j,k = Q_type(k) × {1 - (summation from i=1 to N of [θ_j,i × Ψ_ki] / summation from m=1 to N of [θ_j,m × Ψ_mi]) - ln(summation from i=1 to N of [θ_j,i × Ψ_ki])}

γ_k = Q_type(k) × {1 - (summation from i=1 to N of [θ_M,i × Ψ_ki] / summation from m=1 to N of [θ_M,m × Ψ_mi]) - ln(summation from i=1 to N of [θ_M,i × Ψ_ki])}

x_j,i = n_j,i / summation from m=1 to N of [n_m,i ]

θ_j,i = x_j,i × Q_type(i) / summation from i=1 to N of [x_j,i × Q_type(i)]

x_M,i = summation from m=1 to 3 of [x_m × n_m,i] / summation from k=1 to N of [summation from m=1 to 3 of [x_m × n_m,k]]

θ_M,i = x_M,i × Q_type(i) / summation from i=1 to N of [x_M,i × Q_type(i)]