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.
Process Modeling Issues in the Design of a Continuous-Flow Process for the Production of Ibuprofen / A. Tripodi, R. Martinazzo, G. Ramis, I. Rossetti. - In: CHEMICAL ENGINEERING & TECHNOLOGY. - ISSN 0930-7516. - 43:12(2020 Dec), pp. 2557-2566.
Process Modeling Issues in the Design of a Continuous-Flow Process for the Production of Ibuprofen
A. TripodiPrimo
;R. MartinazzoSecondo
;I. Rossetti
Ultimo
2020
Abstract
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.File | Dimensione | Formato | |
---|---|---|---|
Ibuprofen_2020-09-21_unmarked.pdf
accesso aperto
Tipologia:
Pre-print (manoscritto inviato all'editore)
Dimensione
584.65 kB
Formato
Adobe PDF
|
584.65 kB | Adobe PDF | Visualizza/Apri |
Proc simul-ibuprofen1.pdf
accesso riservato
Tipologia:
Publisher's version/PDF
Dimensione
268.82 kB
Formato
Adobe PDF
|
268.82 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.