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Prediction of heats of mixing of multicomponent systems using local composition models
Mining and Metallurgical Engineering
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The parameters of the Wilson, NRTL and UNIQUAC local composition models were obtained from experimental binary heat of mixing data. The calculations involved minimizing the residual sum of squares (equation) using the Hooke-Jeeve algorithm. Heats of mixing of multicomponent systems were calculated with the estimated parameters and compared to available experimental data. For systems containing no alcohol or water, the three local composition models can be used to predict heats of mixing of multicomponent systems with errors normally not exceeding 15 %. For systems containing water, the empirical equation, proposed by Tsao and Smith proved to be more adequate for the prediction of ternary heats of mixing than the three local composition models used in this work.
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