Difference between revisions of "Thermophysical Modeling: Why was UREA modified for the MSE model?"
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Revision as of 12:34, 11 December 2014
The Background
Circa 2009 OLI Systems was asked by one of its customers to model the decomposition of Urea in aqueous solutions. OLI undertook this modeling and created a model. The basic chemistry of urea decomposition is as follows:
Urea: (NH2)2CO
Water: H2O
Ammonium Carbamate: NH2COONH2
Ammonia: NH3
Carbon Dioxide: CO2
- (NH2)2CO + H2O = NH2COONH2
- NH2COONH2 = NH3 + CO2
There are several side reactions which OLI attempted to model as well. Two molecules of urea can combine to form a species called biuret with a loss of an ammonia molecule.
Biuret: (CONH2)2
The reaction is:
- 2(NH2)2CO = (CONH2)2 + NH3
In addtion, another side reaction is the formation of ammonium cyanate from urea.
Ammonium Cyanate: NH4OCN
- (NH2)2CO = NH4OCN
Finally Ammonia Cyanate decomposes to isocyanic acid and ammonia
Isocyanic Acid: HOCN
- NH4OCN = HOCN + NH3
