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Process Modeling Issues in the Design of a Continuous‐Flow Process for the Production of Ibuprofen
Author(s) -
Tripodi Antonio,
Martinazzo Rocco,
Ramis Gianguido,
Rossetti Ilenia
Publication year - 2020
Publication title -
chemical engineering and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.403
H-Index - 81
eISSN - 1521-4125
pISSN - 0930-7516
DOI - 10.1002/ceat.202000371
Subject(s) - process (computing) , process engineering , computer science , continuous flow , production (economics) , biochemical engineering , ibuprofen , process design , chemistry , engineering , process integration , medicine , economics , pharmacology , macroeconomics , operating system
The continuous‐flow production of active pharmaceutical ingredients is a spreading applicative research field. Process simulation tools are effective means for in silico process design, but care is needed. A paradigmatic example is the synthesis of ibuprofen. First, the most appropriate thermodynamic models must be selected. The rich databases now available to collect thermodynamic properties are often insufficient because unconventional molecules are usually part of the recipe or found as intermediates or products. Furthermore, in some reaction steps ionic properties may be needed rather than those of the neutral molecules. All these points need a careful optimization of the methods for the estimation of the properties, with possible huge discrepancies of the results.