feat: RKPR now autofits k to replicate the acentric factor

ipqa-research · Dec 16, 2024 · 6421357 · 6421357
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diff --git a/src/equilibria/saturations_points.f90 b/src/equilibria/saturations_points.f90
@@ -255,7 +255,7 @@ type(EquilibriumState) function saturation_temperature(model, n, p, kind, t0, y0
 
          k = exp(lnfug_z - lnfug_y)
          f = sum(z*k) - 1
-         step = f/sum(z * k * (dlnphi_dt_z - dlnphi_dt_y))
+         step = f/sum(T * z * k * (dlnphi_dt_z - dlnphi_dt_y))
 
          if (.not. ieee_is_finite(step) .or. ieee_is_nan(step)) exit