Ammonia synthesis reactors operate in conditions ofhigh pressure and high temperature. Consequently, the flow inside thesereactors always presents interaction between components in the feed mixture. Amodeling accounts these interactions with pressure, temperature and the molarfraction is essential to converter simulation more realistic. The compositionalapproach based on cubic equations of state provides the influences of thecomponent of a gas mixture using mixing rules and binary interaction parameters.This multicomponent description makes the model more robust and reliable forproperties mixture prediction. In this work, two models of ammonia synthesisreactors were simulated: adiabatic and autothermal. The fitted expression ofSingh and Saraf was used. The adiabatic reactor model presented a maximumrelative error of 1.6% in temperature and 11.4% in conversion while theautothermal reactor model presents a maximum error of 2.7% in temperature, whencompared to plant data. Furthermore, a sensitivity analysis in input variablesof both converter models was performed to predict operational limits andperformance of the Models for Ammonia Reactor Simulation (MARS).
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