Documents disponibles écrits par cet auteur

Attribute-based modeling of resid structure and reaction / Darin M. Campbell in Industrial & engineering chemistry research, Vol. 48 N°4 (Février 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N°4 (Février 2009) . - pp. 1683–1693 Titre : Attribute-based modeling of resid structure and reaction Type de document : texte imprimé Auteurs : Darin M. Campbell, Auteur ; Craig Bennett, Auteur ; Zhen Hou, Auteur Année de publication : 2009 Article en page(s) : pp. 1683–1693 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Feedstock  structure  Monte  Carlo  simulation  Molecular  structures  Probability  density  functions Résumé : An attribute-based approach to modeling resid structure and reaction is described. Monte Carlo simulation of feedstock structure casts the modeling problem in molecular terms. This technique samples probability density functions (PDFs) for the attributes of the resid molecular structures to construct a representative molecular sample whose properties are compared against measured properties. Optimization methods are used to minimize the weighted sum of squares difference, and the final set of PDF parameters are the mathematical representation of resid structure. Subsequent reaction models can be based on the molecular attributes of the PDFs. The latter model, which is called the “Attribute Reaction Model” (ARM), provides a large reduction in the number of reaction equations and, therefore, solution time. The combined structural and reaction model provides a very good representation of laboratory data for four resids. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie8012314 [article] Attribute-based modeling of resid structure and reaction [texte imprimé] / Darin M. Campbell, Auteur ; Craig Bennett, Auteur ; Zhen Hou, Auteur . - 2009 . - pp. 1683–1693. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N°4 (Février 2009) . - pp. 1683–1693 Mots-clés : Feedstock  structure  Monte  Carlo  simulation  Molecular  structures  Probability  density  functions Résumé : An attribute-based approach to modeling resid structure and reaction is described. Monte Carlo simulation of feedstock structure casts the modeling problem in molecular terms. This technique samples probability density functions (PDFs) for the attributes of the resid molecular structures to construct a representative molecular sample whose properties are compared against measured properties. Optimization methods are used to minimize the weighted sum of squares difference, and the final set of PDF parameters are the mathematical representation of resid structure. Subsequent reaction models can be based on the molecular attributes of the PDFs. The latter model, which is called the “Attribute Reaction Model” (ARM), provides a large reduction in the number of reaction equations and, therefore, solution time. The combined structural and reaction model provides a very good representation of laboratory data for four resids. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie8012314

Modeling the composition of crude oil fractions using constrained homologous series / Steven P. Pyl in Industrial & engineering chemistry research, Vol. 50 N° 18 (Septembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 18 (Septembre 2011) . - pp. 10850-10858 Titre : Modeling the composition of crude oil fractions using constrained homologous series Type de document : texte imprimé Auteurs : Steven P. Pyl, Auteur ; Zhen Hou, Auteur ; Kevin M. Van Geem, Auteur Année de publication : 2011 Article en page(s) : pp. 10850-10858 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Crude  oil  Modeling Résumé : Composition anodeling using coastrained homologous series permits the derivation of the detailed composition of complex mixtures starting from a limited set of mixture bulk properties. By imposing various constraints, the number of unknowns is drastically reduced. Probability density functions are imposed on both the carbon number distribution in each homologous series of components and on the structural attribute distributions. Validation, based on detailed compositional information, shows that the use of gamma distributions to constrain the mixture composition results in an adequate approximation of the experimentally measured composition. The latter was obtained for two middle distillates and a heavy gas oil using advanced analytical techniques. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24523902 [article] Modeling the composition of crude oil fractions using constrained homologous series [texte imprimé] / Steven P. Pyl, Auteur ; Zhen Hou, Auteur ; Kevin M. Van Geem, Auteur . - 2011 . - pp. 10850-10858. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 18 (Septembre 2011) . - pp. 10850-10858 Mots-clés : Crude  oil  Modeling Résumé : Composition anodeling using coastrained homologous series permits the derivation of the detailed composition of complex mixtures starting from a limited set of mixture bulk properties. By imposing various constraints, the number of unknowns is drastically reduced. Probability density functions are imposed on both the carbon number distribution in each homologous series of components and on the structural attribute distributions. Validation, based on detailed compositional information, shows that the use of gamma distributions to constrain the mixture composition results in an adequate approximation of the experimentally measured composition. The latter was obtained for two middle distillates and a heavy gas oil using advanced analytical techniques. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24523902