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    STUDIA CHEMIA - Issue no. 1-2 / 2002  
         
  Article:   MODELING AND SIMULATION OF 3-AMINOPROPIONITRILE SYNTHESIS USING DEDICATED SOFTWARE PACKAGES.

Authors:  CÄ‚LIN-CRISTIAN CORMOÅž, PAUL ÅžERBAN AGACHI. 		 
       
         
  Abstract:  Calcium pantothenate is one of the most used pro-vitamins in the therapy for human beings and for veterinary use. In the synthesis of D,L calcium panthotenate, pantolactone and -alanine are used as starting materials. -Alanine is obtained from alkaline hydrolysis of 3-aminopropionitrile. The synthesis of 3-aminopropionitrile involves the addition of ammonia at acrylonitrile at high temperature and pressure. In this paper the continuous synthesis of 3-aminopropionitrile is described. The synthesis takes place at temperature (100 – 120oC) and pressure (15 – 20 atm). Secondary products can be formed; to avoid this fact a high molar ratio between reactants (ammonia / acrylonitrile = 10 / 1) is used. The synthesis process was modeled and simulated using HYSYS Plant, PRO/II and ChemCAD software packages to demonstrate the reliability of the packages and their performances. From simulation results very valuable information can be obtained regarding real plant operation.  
         
     
         
         
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