Which one should be chosen for the thermodynamics of the esterification reaction distillation system?
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Which one should be chosen for the thermodynamics of the esterification reaction distillation system?
NRTL-HOC or UNIQ-HOC
It is best to use NRTL-HOC, as gas-phase association occurs: lol
Well, it’s for synthesizing methyl acetate. Hehe, in most cases in our country, NRTL-HOC is used, while UNIQ-HOC is employed in the simulations described in some articles written by foreigners. Either of these two should work.
Which company has better technology for ethyl acetate and butyl acetate in China, and which design institute performs better? :victory:
Acetic acid vapor will associate, and this is a common system; the Aspen database contains the NRTL binary parameters, so NRTL-Hoc is still the better choice
Based on literature research, the property equations that can be used to calculate the liquid-phase properties of this system include NRTL, UNIQUAC, and WILSON. Preliminary simulation results show that there is little difference in the simulation outcomes of these three equations; however, the NRTL equation converges more easily, so it was chosen for the simulation calculations. For the gas phase, considering the association of acetic acid molecules, the Hayden—O’Connel equation is used. The relevant parameters for the NRTL and Hayden-O’Connel equations, as well as the properties of pure components, are all taken from the ASPEN database.
I chose the NRTL-HOC model to simulate the reaction between acetic acid and methanol