Documents disponibles écrits par cet auteur

Modeling Temperature-Dependent Properties of Oxygen, Argon, and Nitrogen via Response Modeling Methodology (RMM) and Comparison with Acceptable Models / Haim Shore in Industrial & engineering chemistry research, Vol. 49 N° 19 (Octobre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 19 (Octobre 2010) . - pp. 9469-9485 Titre : Modeling Temperature-Dependent Properties of Oxygen, Argon, and Nitrogen via Response Modeling Methodology (RMM) and Comparison with Acceptable Models Type de document : texte imprimé Auteurs : Haim Shore, Auteur ; Diamanta Benson-Karhi, Auteur Année de publication : 2010 Article en page(s) : pp. 9469-9485 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Modeling Résumé : In a recent paper, temperature-dependent properties of water were modeled via response modeling methodology (RMM), and the resultant models were compared to models obtained by TableCurve2D (a dedicated software for relational modeling), and to "Acceptable models", recommended by DIPPR (a widely used database for constant and temperature-dependent physical properties). In this paper, we extend the comparison to oxygen, argon and nitrogen. Model comparison has been conducted for 10 temperature-dependent physical and thermodynamic properties. Detailed results are reported in this paper. Summary tables, which rank the various models in terms of goodness-of-fit and stability over all properties, are provided. The three variations of the RMM model (two-, three-, and four-parameter models) compare favorably with other models, often with more parameters, in terms of both goodness-of-fit and stability. The unique desirable properties of RMM models are discussed. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23289684 [article] Modeling Temperature-Dependent Properties of Oxygen, Argon, and Nitrogen via Response Modeling Methodology (RMM) and Comparison with Acceptable Models [texte imprimé] / Haim Shore, Auteur ; Diamanta Benson-Karhi, Auteur . - 2010 . - pp. 9469-9485. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 19 (Octobre 2010) . - pp. 9469-9485 Mots-clés : Modeling Résumé : In a recent paper, temperature-dependent properties of water were modeled via response modeling methodology (RMM), and the resultant models were compared to models obtained by TableCurve2D (a dedicated software for relational modeling), and to "Acceptable models", recommended by DIPPR (a widely used database for constant and temperature-dependent physical properties). In this paper, we extend the comparison to oxygen, argon and nitrogen. Model comparison has been conducted for 10 temperature-dependent physical and thermodynamic properties. Detailed results are reported in this paper. Summary tables, which rank the various models in terms of goodness-of-fit and stability over all properties, are provided. The three variations of the RMM model (two-, three-, and four-parameter models) compare favorably with other models, often with more parameters, in terms of both goodness-of-fit and stability. The unique desirable properties of RMM models are discussed. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23289684

Predicting temperature-dependent properties by correlations based on similarities of molecular structures / Shacham, Mordechai in Industrial & engineering chemistry research, Vol. 47 N° 13 (Juillet 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4496–4504 Titre : Predicting temperature-dependent properties by correlations based on similarities of molecular structures : application to liquid density Type de document : texte imprimé Auteurs : Shacham, Mordechai, Auteur ; Neima Brauner, Auteur ; Haim Shore, Auteur ; Diamanta Benson-Karhi, Auteur Année de publication : 2008 Article en page(s) : p. 4496–4504 Note générale : Bibliogr. p. 4504 Langues : Anglais (eng) Mots-clés : Molecular  structures;  Temperature-dependent  properties;  QS2PR Résumé : A novel method for predicting temperature-dependent properties is presented. The method involves the use of measured property values of predictive compounds that are structurally similar to the target compound, and molecular descriptor values. The quantitative structure−structure−property relationship (QS2PR) is used to model a linear relationship between property values of the target and the predictive compounds. Whenever necessary, response modeling methodology (RMM) can be employed to obtain a nonlinear regression model for representing property data of the predictive compounds. The application of the method is demonstrated under a variety of conditions by prediction of the temperature-dependent liquid-density variation of 1-butene, toluene, n-hexane, and n-heneicosane. It is shown that straightforward application of the proposed method provides predictions with accuracy within the experimental error level. An advantage of the proposed method over other similar prediction models is that it does not require measured property values of the target compound. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie701766m [article] Predicting temperature-dependent properties by correlations based on similarities of molecular structures : application to liquid density [texte imprimé] / Shacham, Mordechai, Auteur ; Neima Brauner, Auteur ; Haim Shore, Auteur ; Diamanta Benson-Karhi, Auteur . - 2008 . - p. 4496–4504. Bibliogr. p. 4504 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4496–4504 Mots-clés : Molecular  structures;  Temperature-dependent  properties;  QS2PR Résumé : A novel method for predicting temperature-dependent properties is presented. The method involves the use of measured property values of predictive compounds that are structurally similar to the target compound, and molecular descriptor values. The quantitative structure−structure−property relationship (QS2PR) is used to model a linear relationship between property values of the target and the predictive compounds. Whenever necessary, response modeling methodology (RMM) can be employed to obtain a nonlinear regression model for representing property data of the predictive compounds. The application of the method is demonstrated under a variety of conditions by prediction of the temperature-dependent liquid-density variation of 1-butene, toluene, n-hexane, and n-heneicosane. It is shown that straightforward application of the proposed method provides predictions with accuracy within the experimental error level. An advantage of the proposed method over other similar prediction models is that it does not require measured property values of the target compound. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie701766m