Tag Archives: NRTL

Effect of initial estimates for KLLs on the convergence of liquid-liquid equilibrium calculations

The initial estimates for the KLLs (equilibrium factors) have a big influence on the convergence behavior of liquid-liquid equilibrium calculations. To highlight this effect, let’s try out something with LIBPF. We choose the system H2O / 2-ethyl-1-hexanol. Experimental measurements for … Continue reading

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