Mean - squared - error methods for selecting optimal parameter subsets for estimation / Kevin A. P. McLean in Industrial & engineering chemistry research, Vol. 51 N° 17 (Mai 2012)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 51 N° 17 (Mai 2012) . - pp. 6105–6115 Titre : Mean - squared - error methods for selecting optimal parameter subsets for estimation Type de document : texte imprimé Auteurs : Kevin A. P. McLean, Auteur ; Shaohua Wu, Auteur ; Kimberley B. McAuley, Auteur Année de publication : 2012 Article en page(s) : pp. 6105–6115 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Chemical processes Optimal parameter Estimation Résumé : Engineers who develop fundamental models for chemical processes are often unable to estimate all of the parameters, especially when available data are limited or noisy. In these situations, modelers may decide to select only a subset of the parameters for estimation. An orthogonalization algorithm combined with a mean squared error (MSE) based selection criterion has been used to rank parameters from most to least estimable and to determine the parameter subset that should be estimated to obtain the best predictions. A robustness test is proposed and applied to a batch reactor model to assess the sensitivity of the selected parameter subset to initial parameter guesses. A new ranking and selection technique is also developed based on the MSE criterion and is compared with existing techniques in the literature. Results obtained using the proposed ranking and selection techniques agree with those from leave-one-out cross-validation but are more computationally attractive. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie202352f [article] Mean - squared - error methods for selecting optimal parameter subsets for estimation [texte imprimé] / Kevin A. P. McLean, Auteur ; Shaohua Wu, Auteur ; Kimberley B. McAuley, Auteur . - 2012 . - pp. 6105–6115. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 17 (Mai 2012) . - pp. 6105–6115 Mots-clés : Chemical processes Optimal parameter Estimation Résumé : Engineers who develop fundamental models for chemical processes are often unable to estimate all of the parameters, especially when available data are limited or noisy. In these situations, modelers may decide to select only a subset of the parameters for estimation. An orthogonalization algorithm combined with a mean squared error (MSE) based selection criterion has been used to rank parameters from most to least estimable and to determine the parameter subset that should be estimated to obtain the best predictions. A robustness test is proposed and applied to a batch reactor model to assess the sensitivity of the selected parameter subset to initial parameter guesses. A new ranking and selection technique is also developed based on the MSE criterion and is compared with existing techniques in the literature. Results obtained using the proposed ranking and selection techniques agree with those from leave-one-out cross-validation but are more computationally attractive. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie202352f

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Theoretical study of the influence of mixing on the selective noncatalytic reduction process with CH4 or H2 addition / Qingxi Cao in Industrial & engineering chemistry research, Vol. 50 N° 18 (Septembre 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 18 (Septembre 2011) . - pp. 10859-10864 Titre : Theoretical study of the influence of mixing on the selective noncatalytic reduction process with CH4 or H2 addition Type de document : texte imprimé Auteurs : Qingxi Cao, Auteur ; Hui Liu, Auteur ; Shaohua Wu, Auteur Année de publication : 2011 Article en page(s) : pp. 10859-10864 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Mixing Résumé : This work presents a theoretical study of the influence of mixing on NO removal from flue gas by the selective noncatalytic reduction (SNCR) process with CH4 or H2 addition, using an elementary reaction mechanism together with a simple approach for mixing proposed previously. The results show that the mixing process affects NO reduction significantly. For he SNCR process with CH4 addition, the mixing process narrows the temperature window at the high temperature side. For the case with H2 addition, besides the temperature window getting narrower, the maximum NO removal efficiency declines notably, and NH3-slip near the optimal temperature rises. This discovery explains the experimental results in the literature reasonably, and it indicates that fast mixing is essential to gain good performance, while H2 additive is used in practical application. Furthermore, the-reason for the distinct effects of mixing on the two DeNOx processes was revealed by theoretical analysis. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24523903 [article] Theoretical study of the influence of mixing on the selective noncatalytic reduction process with CH4 or H2 addition [texte imprimé] / Qingxi Cao, Auteur ; Hui Liu, Auteur ; Shaohua Wu, Auteur . - 2011 . - pp. 10859-10864. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 18 (Septembre 2011) . - pp. 10859-10864 Mots-clés : Mixing Résumé : This work presents a theoretical study of the influence of mixing on NO removal from flue gas by the selective noncatalytic reduction (SNCR) process with CH4 or H2 addition, using an elementary reaction mechanism together with a simple approach for mixing proposed previously. The results show that the mixing process affects NO reduction significantly. For he SNCR process with CH4 addition, the mixing process narrows the temperature window at the high temperature side. For the case with H2 addition, besides the temperature window getting narrower, the maximum NO removal efficiency declines notably, and NH3-slip near the optimal temperature rises. This discovery explains the experimental results in the literature reasonably, and it indicates that fast mixing is essential to gain good performance, while H2 additive is used in practical application. Furthermore, the-reason for the distinct effects of mixing on the two DeNOx processes was revealed by theoretical analysis. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24523903

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