Documents disponibles écrits par cet auteur

Incorporating sustainability into the conceptual design of chemical process - reaction routes selection / Kailiang Zheng in Industrial & engineering chemistry research, Vol. 51 N° 27 (Juillet 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 27 (Juillet 2012) . - pp. 9300-9309 Titre : Incorporating sustainability into the conceptual design of chemical process - reaction routes selection Type de document : texte imprimé Auteurs : Kailiang Zheng, Auteur ; Helen H. Lou, Auteur ; Preeti Gangadharan, Auteur Année de publication : 2012 Article en page(s) : pp. 9300-9309 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Design  Sustainable  development Résumé : Limited availability of natural resources and rising raw material cost, accompanied by growing societal and environmental concerns, urge the engineers to incorporate sustainability issues into the design of new chemical process and the retrofit of traditional process. Yet due to the multidimensional nature of sustainability, as economic, societal, and environmental issues need to be considered together, a structured sustainability assessment tool is needed to serve as the basis for any process design, analysis, improvement, and decision making. This paper presents a methodology to assist reaction pathway selection in light of sustainability. At this conceptual design stage, the sustainability performance of different potential reaction pathways is evaluated, which can not only help the designers improve the screening efficiency by eliminating inferior reaction alternatives systematically, but also identify the key areas for further improvement in future design, thus reducing the complexity and labor in the following basic engineering design stage. The sustainability of each reaction pathway is assessed in terms of profit potential, driving force of the pathway (Gibbs free energy), inherent safety index, potential environmental index, and atom economy. The efficacy of this approach is demonstrated by several case studies of reaction routes selection, including the propylene oxide (PO) production process, carbon dioxide reduction technology, and cellulosic ethanol production technology. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26132266 [article] Incorporating sustainability into the conceptual design of chemical process - reaction routes selection [texte imprimé] / Kailiang Zheng, Auteur ; Helen H. Lou, Auteur ; Preeti Gangadharan, Auteur . - 2012 . - pp. 9300-9309. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 27 (Juillet 2012) . - pp. 9300-9309 Mots-clés : Design  Sustainable  development Résumé : Limited availability of natural resources and rising raw material cost, accompanied by growing societal and environmental concerns, urge the engineers to incorporate sustainability issues into the design of new chemical process and the retrofit of traditional process. Yet due to the multidimensional nature of sustainability, as economic, societal, and environmental issues need to be considered together, a structured sustainability assessment tool is needed to serve as the basis for any process design, analysis, improvement, and decision making. This paper presents a methodology to assist reaction pathway selection in light of sustainability. At this conceptual design stage, the sustainability performance of different potential reaction pathways is evaluated, which can not only help the designers improve the screening efficiency by eliminating inferior reaction alternatives systematically, but also identify the key areas for further improvement in future design, thus reducing the complexity and labor in the following basic engineering design stage. The sustainability of each reaction pathway is assessed in terms of profit potential, driving force of the pathway (Gibbs free energy), inherent safety index, potential environmental index, and atom economy. The efficacy of this approach is demonstrated by several case studies of reaction routes selection, including the propylene oxide (PO) production process, carbon dioxide reduction technology, and cellulosic ethanol production technology. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26132266

Optimal reduction of the C1–C3 combustion mechanism for the simulation of flaring / Helen H. Lou in Industrial & engineering chemistry research, Vol. 51 N° 39 (Octobre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 39 (Octobre 2012) . - pp. 12697–12705 Titre : Optimal reduction of the C1–C3 combustion mechanism for the simulation of flaring Type de document : texte imprimé Auteurs : Helen H. Lou, Auteur ; Daniel Chen, Auteur ; Christopher B. Martin, Auteur Année de publication : 2012 Article en page(s) : pp. 12697–12705 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Combustion Résumé : Flaring is a combustion process designed to relieve pressures and safely dispose of vent gases from chemical and petrochemical plants. An industrial flaring activity typically involves various combustible waste gases and a large number of reactions and species. Because most of the detailed kinetic mechanisms for the speciation study of flaring events are too complicated to use in the computational fluid dynamics simulation of industrial-scale flares, several techniques for reduction of the detailed combustion mechanisms have been developed. In this paper, a new rigorous skeleton mechanism (RSM) based reduction technique, namely, the LU 2.0 algorithm, is proposed. It falls under the category of identification of redundancy. Other techniques in this category try to remove redundant species and reactions based on criteria such as sensitivity and quasi-steady-state analyses. These are highly dependent on the preanalysis of the mechanism and require species concentration sets for the conditions of interest. This algorithm tries to find out the skeleton mechanism with the lowest possible error. It works by rigorously testing all of the possible combinations of species sets. This RSM-based optimized mechanism was validated successfully against experimental data for various key performance indicators (laminar flame speeds, burner-stabilized flame, adiabatic flame temperature, and ignition delay) for methane, ethylene, and propylene flames. The efficacy of this algorithm was demonstrated by its improved predictability. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2027684 [article] Optimal reduction of the C1–C3 combustion mechanism for the simulation of flaring [texte imprimé] / Helen H. Lou, Auteur ; Daniel Chen, Auteur ; Christopher B. Martin, Auteur . - 2012 . - pp. 12697–12705. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 39 (Octobre 2012) . - pp. 12697–12705 Mots-clés : Combustion Résumé : Flaring is a combustion process designed to relieve pressures and safely dispose of vent gases from chemical and petrochemical plants. An industrial flaring activity typically involves various combustible waste gases and a large number of reactions and species. Because most of the detailed kinetic mechanisms for the speciation study of flaring events are too complicated to use in the computational fluid dynamics simulation of industrial-scale flares, several techniques for reduction of the detailed combustion mechanisms have been developed. In this paper, a new rigorous skeleton mechanism (RSM) based reduction technique, namely, the LU 2.0 algorithm, is proposed. It falls under the category of identification of redundancy. Other techniques in this category try to remove redundant species and reactions based on criteria such as sensitivity and quasi-steady-state analyses. These are highly dependent on the preanalysis of the mechanism and require species concentration sets for the conditions of interest. This algorithm tries to find out the skeleton mechanism with the lowest possible error. It works by rigorously testing all of the possible combinations of species sets. This RSM-based optimized mechanism was validated successfully against experimental data for various key performance indicators (laminar flame speeds, burner-stabilized flame, adiabatic flame temperature, and ignition delay) for methane, ethylene, and propylene flames. The efficacy of this algorithm was demonstrated by its improved predictability. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2027684