Documents disponibles écrits par cet auteur

Incorporation of detailed chemical mechanisms in reactive flow simulations using element - flux analysis / Kaiyuan He in Industrial & engineering chemistry research, Vol. 49 N° 21 (Novembre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 21 (Novembre 2010) . - pp. 10471–10478 Titre : Incorporation of detailed chemical mechanisms in reactive flow simulations using element - flux analysis Type de document : texte imprimé Auteurs : Kaiyuan He, Auteur ; Ioannis P. Androulakis, Auteur ; Ierapetritou, Marianthi G., Auteur Année de publication : 2011 Article en page(s) : pp. 10471–10478 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Fluid  dynamics Résumé : An on-the-fly mechanism reduction approach for coupling complex chemistry and computational fluid dynamics (CFD) is proposed in this paper. The approach consists of element flux analysis and identification of active species and reactions based on flux magnitudes. A reduced mechanism involving the active species and reactions is generated to describe the local chemistry. The approach is applied dynamically in the CFD calculation by generating a locally accurate reduced mechanism for every computational cell and time step, enabling on-the-fly reduction. The emphasis of this work is on the numerical study of stratified homogeneous charge compression ignition (HCCI) combustion with detailed chemistry by using the proposed on-the-fly reduction scheme. A mechanism of n-heptane combustion with 161 species and 1540 reactions is used as the detailed mechanism in the simulation. KIVA-3V and CHEMKIN are used as the computational platforms. On-the-fly reduction predictions of species concentrations, temperature, and pressure are in excellent agreement with solutions obtained with the detailed mechanism but at a tremendously reduced CPU time. The on-the-fly reduction approach enables detailed characterizations of in-cylinder behaviors in stratified HCCI engines by incorporating detailed chemical kinetics in engine CFD computations. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100490w [article] Incorporation of detailed chemical mechanisms in reactive flow simulations using element - flux analysis [texte imprimé] / Kaiyuan He, Auteur ; Ioannis P. Androulakis, Auteur ; Ierapetritou, Marianthi G., Auteur . - 2011 . - pp. 10471–10478. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 21 (Novembre 2010) . - pp. 10471–10478 Mots-clés : Fluid  dynamics Résumé : An on-the-fly mechanism reduction approach for coupling complex chemistry and computational fluid dynamics (CFD) is proposed in this paper. The approach consists of element flux analysis and identification of active species and reactions based on flux magnitudes. A reduced mechanism involving the active species and reactions is generated to describe the local chemistry. The approach is applied dynamically in the CFD calculation by generating a locally accurate reduced mechanism for every computational cell and time step, enabling on-the-fly reduction. The emphasis of this work is on the numerical study of stratified homogeneous charge compression ignition (HCCI) combustion with detailed chemistry by using the proposed on-the-fly reduction scheme. A mechanism of n-heptane combustion with 161 species and 1540 reactions is used as the detailed mechanism in the simulation. KIVA-3V and CHEMKIN are used as the computational platforms. On-the-fly reduction predictions of species concentrations, temperature, and pressure are in excellent agreement with solutions obtained with the detailed mechanism but at a tremendously reduced CPU time. The on-the-fly reduction approach enables detailed characterizations of in-cylinder behaviors in stratified HCCI engines by incorporating detailed chemical kinetics in engine CFD computations. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100490w

Integration of scheduling and control with closed loop implementation / Jinjun Zhuge in Industrial & engineering chemistry research, Vol. 51 N° 25 (Juin 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 25 (Juin 2012) . - pp. 8550-8565 Titre : Integration of scheduling and control with closed loop implementation Type de document : texte imprimé Auteurs : Jinjun Zhuge, Auteur ; Ierapetritou, Marianthi G., Auteur Année de publication : 2012 Article en page(s) : pp. 8550-8565 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Closed  loop  Scheduling Résumé : We propose a closed loop strategy to implement simultaneous scheduling and control for chemical processes subject to disturbances. Evidences from published work in the literature suggest that the integration of scheduling and control for multiproduct processes results in optimal production taking into consideration transition stages. On the basis of that, we build a dosed loop implementation for simultaneous scheduling and control, which mitigates the effects of disturbances by generating new solutions once the state deviation due to disturbances is detected. To test the performance of the proposed methodology, we use two case studies, and compare their performance with that of open loop implementation. The results of the case studies verify the effectiveness of closed loop strategy in dealing with process disturbances. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26066781 [article] Integration of scheduling and control with closed loop implementation [texte imprimé] / Jinjun Zhuge, Auteur ; Ierapetritou, Marianthi G., Auteur . - 2012 . - pp. 8550-8565. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 25 (Juin 2012) . - pp. 8550-8565 Mots-clés : Closed  loop  Scheduling Résumé : We propose a closed loop strategy to implement simultaneous scheduling and control for chemical processes subject to disturbances. Evidences from published work in the literature suggest that the integration of scheduling and control for multiproduct processes results in optimal production taking into consideration transition stages. On the basis of that, we build a dosed loop implementation for simultaneous scheduling and control, which mitigates the effects of disturbances by generating new solutions once the state deviation due to disturbances is detected. To test the performance of the proposed methodology, we use two case studies, and compare their performance with that of open loop implementation. The results of the case studies verify the effectiveness of closed loop strategy in dealing with process disturbances. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26066781

Robust optimization for process scheduling under uncertainty / Zukui Li in Industrial & engineering chemistry research, Vol. 47 n°12 (Juin 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°12 (Juin 2008) . - p. 4148–4157 Titre : Robust optimization for process scheduling under uncertainty Type de document : texte imprimé Auteurs : Zukui Li, Auteur ; Ierapetritou, Marianthi G., Auteur Année de publication : 2008 Article en page(s) : p. 4148–4157 Note générale : Bibliogr. p. 4157 Langues : Anglais (eng) Mots-clés : Process  scheduling;  Robust  optimization;  Stochastic  programming  method Résumé : This paper addresses the uncertainty problem in process scheduling using robust optimization. Compared to the traditional-scenario-based stochastic programming method, robust counterpart optimization method has a unique advantage, in that the scale of the corresponding optimization problem does not increase exponentially with the number of the uncertain parameters. Three robust counterpart optimization formulations―including Soyster’s worst-case scenario formulation, Ben-Tal and Nemirovski’s formulation, and a formulation proposed by Bertsimas and Sim―are studied and applied to uncertain scheduling problems in this paper. The results show that the formulation proposed by Bertsimas and Sim is the most appropriate model for uncertain scheduling problems, because it has the following advantages: (i) the model has the same size as the other formulations, (ii) it preserves its linearity, and (iii) it has the ability to control the degree of conservatism for every constraint and guarantees feasibility for the robust optimization problem. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071431u [article] Robust optimization for process scheduling under uncertainty [texte imprimé] / Zukui Li, Auteur ; Ierapetritou, Marianthi G., Auteur . - 2008 . - p. 4148–4157. Bibliogr. p. 4157 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°12 (Juin 2008) . - p. 4148–4157 Mots-clés : Process  scheduling;  Robust  optimization;  Stochastic  programming  method Résumé : This paper addresses the uncertainty problem in process scheduling using robust optimization. Compared to the traditional-scenario-based stochastic programming method, robust counterpart optimization method has a unique advantage, in that the scale of the corresponding optimization problem does not increase exponentially with the number of the uncertain parameters. Three robust counterpart optimization formulations―including Soyster’s worst-case scenario formulation, Ben-Tal and Nemirovski’s formulation, and a formulation proposed by Bertsimas and Sim―are studied and applied to uncertain scheduling problems in this paper. The results show that the formulation proposed by Bertsimas and Sim is the most appropriate model for uncertain scheduling problems, because it has the following advantages: (i) the model has the same size as the other formulations, (ii) it preserves its linearity, and (iii) it has the ability to control the degree of conservatism for every constraint and guarantees feasibility for the robust optimization problem. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071431u