Documents disponibles écrits par cet auteur

Combined in situ monitoring method for analysis and optimization of the lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide / Tamas A. Godany in Industrial & engineering chemistry research, Vol. 50 N° 10 (Mai 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 10 (Mai 2011) . - pp. 5982-5991 Titre : Combined in situ monitoring method for analysis and optimization of the lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide Type de document : texte imprimé Auteurs : Tamas A. Godany, Auteur ; Yorck-Michael Neuhold, Auteur ; Konrad Hungerbuhler, Auteur Année de publication : 2011 Article en page(s) : pp. 5982-5991 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Optimization  Surveillance  In  situ Résumé : Lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide (NCP) is a key step in the synthesis of a potent inhibitor of the HIV type 1 reverse transcriptase. The reaction comprises a heterogeneous lithiation step catalyzed by the solvent, fluoroacetylation with ethyl-trifluoroacetate (TFAEt), and hydrolysis. We investigate the reaction in our in-house developed small-scale low-temperature reaction calorimeter (CRC.v6 LT) employing in situ monitoring methods, such as reaction calorimetry, in situ spectroscopy (ATR FT-IR and UV/vis), and endoscopy, complemented by off-line GC/FID and GC/MS. The dynamic behavior of the reaction steps including end point prediction/detection is discussed, giving insights into a possible reaction mechanism and optimized reaction conditions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24158895 [article] Combined in situ monitoring method for analysis and optimization of the lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide [texte imprimé] / Tamas A. Godany, Auteur ; Yorck-Michael Neuhold, Auteur ; Konrad Hungerbuhler, Auteur . - 2011 . - pp. 5982-5991. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 10 (Mai 2011) . - pp. 5982-5991 Mots-clés : Optimization  Surveillance  In  situ Résumé : Lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide (NCP) is a key step in the synthesis of a potent inhibitor of the HIV type 1 reverse transcriptase. The reaction comprises a heterogeneous lithiation step catalyzed by the solvent, fluoroacetylation with ethyl-trifluoroacetate (TFAEt), and hydrolysis. We investigate the reaction in our in-house developed small-scale low-temperature reaction calorimeter (CRC.v6 LT) employing in situ monitoring methods, such as reaction calorimetry, in situ spectroscopy (ATR FT-IR and UV/vis), and endoscopy, complemented by off-line GC/FID and GC/MS. The dynamic behavior of the reaction steps including end point prediction/detection is discussed, giving insights into a possible reaction mechanism and optimized reaction conditions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24158895

Estimation and analysis of energy utilities consumption in batch chemical industry through thermal losses modeling / Claude Rérat in Industrial & engineering chemistry research, Vol.51 N° 31 (Août 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol.51 N° 31 (Août 2012) . - pp. 10416-10432 Titre : Estimation and analysis of energy utilities consumption in batch chemical industry through thermal losses modeling Type de document : texte imprimé Auteurs : Claude Rérat, Auteur ; Stavros Papadokonstantakis, Auteur ; Konrad Hungerbuhler, Auteur Année de publication : 2012 Article en page(s) : pp. 10416-10432 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Utilities  Modeling  Chemical  industry  Batchwise Résumé : A systematic approach for the estimation of energy utility consumption in chemical batch plants is presented and validated. This approach is based on bottom-up modeling of energy use and its conversion in usual energy carriers like steam, cooling water and brine, including estimation of thermal losses. The modeling involves a detailed energy balance of each unit operation using dynamic plant data. Thermal losses are determined using an empirical parametric equation for each equipment and utility. The method was applied to one monoproduct and one multiproduct building of a chemical batch plant comprising 20 main equipments (reactor vessels, heat exchangers and dryers) for the production of 5 specialty chemicals and intermediates over a period of 2 months. For fitting the parameters of the empirical thermal losses models it was crucial to determine the real energy consumption for the investigated equipments. In the lack of installed flowmeters it was tested whether this task can be performed through calibration of the valves controlling the utility distribution based on valve opening. A direct and an indirect calibration method were applied both providing satisfactory level of accuracy. Validation of the bottom-up models was performed at different aggregation levels, including equipment specific unit operations, production lines and overall building energy consumption. The results indicated that for all types of energy utility, equipment and unit operation the consumption could be estimated with a relative error between 5% and 35% depending on the aggregation level. These results can motivate plant managers and process engineers to consider model-based estimation and analysis of energy utilities for monitoring and optimization purposes in industrial practice. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26234073 [article] Estimation and analysis of energy utilities consumption in batch chemical industry through thermal losses modeling [texte imprimé] / Claude Rérat, Auteur ; Stavros Papadokonstantakis, Auteur ; Konrad Hungerbuhler, Auteur . - 2012 . - pp. 10416-10432. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol.51 N° 31 (Août 2012) . - pp. 10416-10432 Mots-clés : Utilities  Modeling  Chemical  industry  Batchwise Résumé : A systematic approach for the estimation of energy utility consumption in chemical batch plants is presented and validated. This approach is based on bottom-up modeling of energy use and its conversion in usual energy carriers like steam, cooling water and brine, including estimation of thermal losses. The modeling involves a detailed energy balance of each unit operation using dynamic plant data. Thermal losses are determined using an empirical parametric equation for each equipment and utility. The method was applied to one monoproduct and one multiproduct building of a chemical batch plant comprising 20 main equipments (reactor vessels, heat exchangers and dryers) for the production of 5 specialty chemicals and intermediates over a period of 2 months. For fitting the parameters of the empirical thermal losses models it was crucial to determine the real energy consumption for the investigated equipments. In the lack of installed flowmeters it was tested whether this task can be performed through calibration of the valves controlling the utility distribution based on valve opening. A direct and an indirect calibration method were applied both providing satisfactory level of accuracy. Validation of the bottom-up models was performed at different aggregation levels, including equipment specific unit operations, production lines and overall building energy consumption. The results indicated that for all types of energy utility, equipment and unit operation the consumption could be estimated with a relative error between 5% and 35% depending on the aggregation level. These results can motivate plant managers and process engineers to consider model-based estimation and analysis of energy utilities for monitoring and optimization purposes in industrial practice. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26234073